##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
\m-carbonato-\k^3^<i>O</i>:<i>O</i>',<i>O</i>''-
bis{[2,2,6,6-tetramethyl-3,5-bis(2,4,6-triisopropylphenyl)heptane-2,5-
diiminate(1-)-\k^2^<i>N</i>,<i>N</i>']iron(II)} toluene disolvate
;
_chemical_name_common     holas13
_chemical_formula_moiety     'C83 H130 Fe2 N4 O3 , 2C7 H8'
_chemical_formula_sum     'C97 H146 Fe2 N4 O3'
_chemical_formula_iupac     '[Fe2 (C41 H65 N)2 (C O3)] , 2C7 H8'
_chemical_formula_weight     1527.88
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     P-1
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     14.7703(7)
_cell_length_b     15.5535(8)
_cell_length_c     21.6991(11)
_cell_angle_alpha     77.533(3)
_cell_angle_beta     79.815(3)
_cell_angle_gamma     70.941(3)
_cell_volume     4569.9(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3016
_cell_measurement_theta_min     2.32
_cell_measurement_theta_max     30.53
_cell_measurement_temperature     100.00(10)
_exptl_crystal_description     block
_exptl_crystal_colour     orange
_exptl_crystal_size_max     0.27
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.110
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1664
_exptl_absorpt_coefficient_mu     0.366
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2008<i>a</i>)'
_exptl_absorpt_correction_T_min     0.6601
_exptl_absorpt_correction_T_max     0.7462
_exptl_special_details
;
;
_diffrn_ambient_temperature     100.00(10)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
                                'Bruker SMART APEXII Platform CCD area-detector'
_diffrn_measurement_method     'area dectector, \w scans per \f'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     71339
_diffrn_reflns_av_R_equivalents     0.0339
_diffrn_reflns_av_sigmaI/netI     0.0444
_diffrn_reflns_theta_min     1.66
_diffrn_reflns_theta_max     30.03
_diffrn_reflns_theta_full     30.03
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.986
_diffrn_reflns_limit_h_min     -20
_diffrn_reflns_limit_h_max     20
_diffrn_reflns_limit_k_min     -21
_diffrn_reflns_limit_k_max     21
_diffrn_reflns_limit_l_min     -30
_diffrn_reflns_limit_l_max     30
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of <i>F</i>^2^ against ALL reflections. The weighted <i>R</i>-factor
<i>wR</i> and goodness of fit <i>S</i> are based on <i>F</i>^2^, conventional
<i>R</i>-factors <i>R</i> are based on <i>F</i>, with <i>F</i> set to zero for
negative <i>F</i>^2^. The threshold expression of <i>F</i>^2^ >
\s(<i>F</i>^2^) is used only for calculating <i>R</i>-factors(gt) <i>etc</i>.
and is not relevant to the choice of reflections for refinement.
<i>R</i>-factors based on <i>F</i>^2^ are statistically about twice as large
as those based on <i>F</i>, and <i>R</i>- factors based on ALL data will be
even larger.
;
_reflns_number_total     26363
_reflns_number_gt     19303
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0662
_refine_ls_R_factor_gt     0.0420
_refine_ls_wR_factor_gt     0.0952
_refine_ls_wR_factor_ref     0.1054
_refine_ls_goodness_of_fit_ref     1.017
_refine_ls_restrained_S_all     1.017
_refine_ls_number_reflns     26363
_refine_ls_number_parameters     1199
_refine_ls_number_restraints     275
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[\s^2^(Fo^2^)+(0.0464P)^2^+1.0611P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.003
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.418
_refine_diff_density_min     -0.364
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2008)'
_computing_data_reduction     'SAINT (Bruker, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008<i>b</i>)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008<i>b</i>)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008<i>b</i>)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008<i>b</i>)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Fe Fe1 1.074932(13) 0.099845(13) 0.751945(9) 0.01949(5) Uani d . 1 . .
    Fe Fe2 0.711436(13) 0.296262(14) 0.764901(9) 0.02191(5) Uani d . 1 . .
    C C1 0.90912(10) 0.17594(10) 0.78207(7) 0.0240(3) Uani d . 1 . .
    O O1 0.94594(7) 0.19211(7) 0.72484(5) 0.0271(2) Uani d . 1 . .
    O O2 0.96304(7) 0.11889(8) 0.82203(5) 0.0317(2) Uani d . 1 . .
    O O3 0.81989(7) 0.21532(9) 0.80043(5) 0.0406(3) Uani d . 1 . .
    N N11 1.19542(8) 0.13104(8) 0.74802(5) 0.0189(2) Uani d . 1 . .
    N N21 1.13437(8) -0.02504(7) 0.73008(5) 0.0177(2) Uani d . 1 . .
    C C11 1.38093(10) 0.09355(11) 0.73034(7) 0.0275(3) Uani d . 1 . .
    C C21 1.28307(9) 0.07344(10) 0.73421(6) 0.0200(3) Uani d . 1 . .
    C C31 1.29440(9) -0.01540(9) 0.72258(6) 0.0205(3) Uani d . 1 . .
    H H31A 1.3600 -0.0510 0.7158 0.025 Uiso calc R 1 . .
    C C41 1.22963(9) -0.06286(9) 0.71877(6) 0.0191(3) Uani d . 1 . .
    C C51 1.28134(10) -0.16201(10) 0.70297(7) 0.0245(3) Uani d . 1 . .
    C C61 1.37550(12) 0.18812(12) 0.74386(8) 0.0351(4) Uani d . 1 . .
    H H61A 1.4408 0.1909 0.7439 0.053 Uiso calc R 1 . .
    H H61B 1.3386 0.1971 0.7854 0.053 Uiso calc R 1 . .
    H H61C 1.3436 0.2368 0.7108 0.053 Uiso calc R 1 . .
    C C71 1.43592(12) 0.08497(13) 0.66336(8) 0.0382(4) Uani d . 1 . .
    H H71A 1.4976 0.0971 0.6609 0.057 Uiso calc R 1 . .
    H H71B 1.3973 0.1299 0.6316 0.057 Uiso calc R 1 . .
    H H71C 1.4477 0.0225 0.6552 0.057 Uiso calc R 1 . .
    C C81 1.44163(11) 0.02095(13) 0.77946(8) 0.0370(4) Uani d . 1 . .
    H H81A 1.5032 0.0330 0.7778 0.056 Uiso calc R 1 . .
    H H81B 1.4538 -0.0408 0.7697 0.056 Uiso calc R 1 . .
    H H81C 1.4066 0.0244 0.8221 0.056 Uiso calc R 1 . .
    C C91 1.35171(12) -0.15609(12) 0.64171(8) 0.0344(4) Uani d . 1 . .
    H H91A 1.3791 -0.2172 0.6293 0.052 Uiso calc R 1 . .
    H H91B 1.4037 -0.1348 0.6493 0.052 Uiso calc R 1 . .
    H H91C 1.3170 -0.1125 0.6076 0.052 Uiso calc R 1 . .
    C C101 1.33821(12) -0.21865(11) 0.75901(8) 0.0367(4) Uani d . 1 . .
    H H10A 1.3707 -0.2818 0.7511 0.055 Uiso calc R 1 . .
    H H10B 1.2937 -0.2201 0.7983 0.055 Uiso calc R 1 . .
    H H10C 1.3864 -0.1901 0.7633 0.055 Uiso calc R 1 . .
    C C111 1.21752(11) -0.21730(10) 0.69295(8) 0.0313(3) Uani d . 1 . .
    H H11A 1.2580 -0.2788 0.6852 0.047 Uiso calc R 1 . .
    H H11B 1.1822 -0.1850 0.6563 0.047 Uiso calc R 1 . .
    H H11C 1.1716 -0.2234 0.7310 0.047 Uiso calc R 1 . .
    C C12 1.17007(10) 0.22707(9) 0.75300(6) 0.0202(3) Uani d . 1 . .
    C C22 1.16449(11) 0.29391(10) 0.69713(6) 0.0240(3) Uani d . 1 . .
    C C32 1.13049(11) 0.38682(10) 0.70289(7) 0.0248(3) Uani d . 1 . .
    H H32A 1.1272 0.4319 0.6653 0.030 Uiso calc R 1 . .
    C C42 1.10112(10) 0.41651(9) 0.76126(7) 0.0220(3) Uani d . 1 . .
    C C52 1.10607(10) 0.34925(9) 0.81541(7) 0.0222(3) Uani d . 1 . .
    H H52A 1.0867 0.3681 0.8558 0.027 Uiso calc R 1 . .
    C C62 1.13847(10) 0.25496(9) 0.81279(6) 0.0201(3) Uani d . 1 . .
    C C72 1.18957(13) 0.26747(11) 0.63122(7) 0.0309(3) Uani d . 1 . .
    H H72A 1.2240 0.1998 0.6361 0.037 Uiso calc R 1 . .
    C C82 1.25522(15) 0.31815(13) 0.58636(8) 0.0419(4) Uani d . 1 . .
    H H82A 1.3145 0.3065 0.6054 0.063 Uiso calc R 1 . .
    H H82B 1.2218 0.3846 0.5793 0.063 Uiso calc R 1 . .
    H H82C 1.2714 0.2958 0.5457 0.063 Uiso calc R 1 . .
    C C92 1.09684(15) 0.28551(14) 0.60190(8) 0.0439(4) Uani d . 1 . .
    H H92A 1.0551 0.2528 0.6307 0.066 Uiso calc R 1 . .
    H H92B 1.1128 0.2634 0.5612 0.066 Uiso calc R 1 . .
    H H92C 1.0632 0.3519 0.5950 0.066 Uiso calc R 1 . .
    C C102 1.06544(11) 0.51908(10) 0.76358(7) 0.0246(3) Uani d . 1 . .
    H H10D 1.0393 0.5511 0.7224 0.029 Uiso calc R 1 . .
    C C112 1.14806(13) 0.55517(11) 0.76808(9) 0.0380(4) Uani d . 1 . .
    H H11D 1.1999 0.5377 0.7339 0.057 Uiso calc R 1 . .
    H H11E 1.1728 0.5284 0.8093 0.057 Uiso calc R 1 . .
    H H11F 1.1246 0.6226 0.7640 0.057 Uiso calc R 1 . .
    C C122 0.98382(12) 0.54581(11) 0.81656(8) 0.0353(4) Uani d . 1 . .
    H H12A 0.9314 0.5219 0.8134 0.053 Uiso calc R 1 . .
    H H12B 0.9596 0.6132 0.8124 0.053 Uiso calc R 1 . .
    H H12C 1.0081 0.5195 0.8579 0.053 Uiso calc R 1 . .
    C C132 1.13732(10) 0.18668(9) 0.87480(6) 0.0217(3) Uani d . 1 . .
    H H13A 1.1489 0.1244 0.8639 0.026 Uiso calc R 1 . .
    C C142 1.21769(12) 0.18009(11) 0.91339(7) 0.0318(3) Uani d . 1 . .
    H H14A 1.2806 0.1576 0.8889 0.048 Uiso calc R 1 . .
    H H14B 1.2136 0.1373 0.9534 0.048 Uiso calc R 1 . .
    H H14C 1.2102 0.2413 0.9224 0.048 Uiso calc R 1 . .
    C C152 1.03976(11) 0.21145(11) 0.91571(7) 0.0290(3) Uani d . 1 . .
    H H15A 0.9885 0.2158 0.8910 0.043 Uiso calc R 1 . .
    H H15B 1.0283 0.2709 0.9289 0.043 Uiso calc R 1 . .
    H H15C 1.0401 0.1635 0.9534 0.043 Uiso calc R 1 . .
    C C13 1.06119(9) -0.06050(9) 0.71879(7) 0.0203(3) Uani d . 1 A .
    C C23 1.03369(10) -0.04087(10) 0.65741(7) 0.0247(3) Uani d . 1 . .
    C C33 0.96110(11) -0.07377(12) 0.64707(8) 0.0318(3) Uani d . 1 A .
    H H33A 0.9427 -0.0611 0.6055 0.038 Uiso calc R 1 . .
    C C43 0.91489(11) -0.12452(13) 0.69562(8) 0.0360(4) Uani d D 1 . .
    C C53 0.94037(12) -0.13835(12) 0.75595(8) 0.0345(4) Uani d . 1 A .
    H H53A 0.9078 -0.1709 0.7899 0.041 Uiso calc R 1 . .
    C C63 1.01165(11) -0.10689(10) 0.76968(7) 0.0257(3) Uani d . 1 . .
    C C73 1.07885(12) 0.01584(12) 0.60200(7) 0.0322(3) Uani d . 1 . .
    H H73A 1.1312 0.0306 0.6173 0.039 Uiso calc R 1 . .
    C C83 1.00370(15) 0.10683(13) 0.57979(8) 0.0429(4) Uani d . 1 . .
    H H83A 0.9753 0.1396 0.6158 0.064 Uiso calc R 1 . .
    H H83B 0.9530 0.0942 0.5629 0.064 Uiso calc R 1 . .
    H H83C 1.0346 0.1451 0.5465 0.064 Uiso calc R 1 . .
    C C93 1.12380(13) -0.03645(14) 0.54633(8) 0.0425(4) Uani d . 1 . .
    H H93A 1.1737 -0.0934 0.5607 0.064 Uiso calc R 1 . .
    H H93B 1.1527 0.0024 0.5121 0.064 Uiso calc R 1 . .
    H H93C 1.0737 -0.0518 0.5306 0.064 Uiso calc R 1 . .
    C C103 0.8416(3) -0.1708(5) 0.6861(3) 0.0266(6) Uani d PD 0.511(4) A 1
    H H10E 0.8538 -0.2321 0.7149 0.032 Uiso calc PR 0.511(4) A 1
    C C113 0.7402(7) -0.1112(9) 0.7068(8) 0.0430(15) Uani d PD 0.511(4) A 1
    H H11G 0.7377 -0.0991 0.7496 0.064 Uiso calc PR 0.511(4) A 1
    H H11H 0.6935 -0.1438 0.7069 0.064 Uiso calc PR 0.511(4) A 1
    H H11I 0.7245 -0.0526 0.6771 0.064 Uiso calc PR 0.511(4) A 1
    C C123 0.8479(4) -0.1872(4) 0.6186(2) 0.0495(11) Uani d PD 0.511(4) A 1
    H H12D 0.8263 -0.1278 0.5905 0.074 Uiso calc PR 0.511(4) A 1
    H H12E 0.8067 -0.2250 0.6177 0.074 Uiso calc PR 0.511(4) A 1
    H H12F 0.9149 -0.2193 0.6041 0.074 Uiso calc PR 0.511(4) A 1
    C C10' 0.8290(5) -0.1377(4) 0.6714(4) 0.0266(6) Uani d PD 0.275(4) A 5
    H H10K 0.8210 -0.1048 0.6268 0.032 Uiso calc PR 0.275(4) A 5
    C C11' 0.7340(15) -0.1150(18) 0.7145(15) 0.0430(15) Uani d PD 0.275(4) A 5
    H H11S 0.7443 -0.1478 0.7579 0.064 Uiso calc PR 0.275(4) A 5
    H H11T 0.6866 -0.1343 0.6989 0.064 Uiso calc PR 0.275(4) A 5
    H H11U 0.7100 -0.0484 0.7145 0.064 Uiso calc PR 0.275(4) A 5
    C C12' 0.8686(5) -0.2434(5) 0.6744(4) 0.0495(11) Uani d PD 0.275(4) A 5
    H H12M 0.8807 -0.2734 0.7180 0.074 Uiso calc PR 0.275(4) A 5
    H H12N 0.9290 -0.2585 0.6460 0.074 Uiso calc PR 0.275(4) A 5
    H H12O 0.8213 -0.2654 0.6610 0.074 Uiso calc PR 0.275(4) A 5
    C C10" 0.8394(7) -0.1707(9) 0.6908(8) 0.0266(6) Uani d PD 0.215(5) A 6
    H H10L 0.8299 -0.2139 0.7311 0.032 Uiso calc PR 0.215(5) A 6
    C C11" 0.7455(8) -0.0943(8) 0.6788(7) 0.0430(15) Uani d PD 0.215(5) A 6
    H H11V 0.7303 -0.0534 0.7103 0.064 Uiso calc PR 0.215(5) A 6
    H H11W 0.6932 -0.1216 0.6825 0.064 Uiso calc PR 0.215(5) A 6
    H H11X 0.7525 -0.0587 0.6361 0.064 Uiso calc PR 0.215(5) A 6
    C C12" 0.8758(8) -0.2232(9) 0.6352(7) 0.0495(11) Uani d PD 0.215(5) A 6
    H H12P 0.9355 -0.2728 0.6441 0.074 Uiso calc PR 0.215(5) A 6
    H H12Q 0.8885 -0.1808 0.5965 0.074 Uiso calc PR 0.215(5) A 6
    H H12R 0.8269 -0.2498 0.6293 0.074 Uiso calc PR 0.215(5) A 6
    C C133 1.03356(12) -0.12598(11) 0.83796(7) 0.0307(3) Uani d . 1 A .
    H H13B 1.0823 -0.0947 0.8396 0.037 Uiso calc R 1 . .
    C C143 0.94321(14) -0.08624(13) 0.88235(8) 0.0411(4) Uani d . 1 . .
    H H14D 0.9165 -0.0199 0.8673 0.062 Uiso calc R 1 A .
    H H14E 0.9604 -0.0961 0.9255 0.062 Uiso calc R 1 . .
    H H14F 0.8951 -0.1173 0.8826 0.062 Uiso calc R 1 . .
    C C153 1.07640(15) -0.22956(12) 0.86230(9) 0.0432(4) Uani d . 1 . .
    H H15D 1.1387 -0.2532 0.8376 0.065 Uiso calc R 1 A .
    H H15E 1.0323 -0.2625 0.8577 0.065 Uiso calc R 1 . .
    H H15F 1.0855 -0.2390 0.9072 0.065 Uiso calc R 1 . .
    N N14 0.64547(8) 0.37269(8) 0.69304(5) 0.0195(2) Uani d . 1 B .
    N N24 0.59834(8) 0.32283(8) 0.83007(5) 0.0192(2) Uani d . 1 B .
    C C14 0.49712(15) 0.47920(14) 0.63875(9) 0.0239(4) Uani d PD 0.8452(18) B 1
    C C14' 0.4911(7) 0.4642(7) 0.6383(4) 0.0239(4) Uani d PD 0.1548(18) B 5
    C C24 0.55083(10) 0.41888(9) 0.69661(6) 0.0202(3) Uani d D 1 . .
    C C34 0.49213(9) 0.41854(9) 0.75489(6) 0.0205(3) Uani d . 1 B .
    H H34A 0.4265 0.4532 0.7514 0.025 Uiso calc R 1 . .
    C C44 0.51087(9) 0.37705(9) 0.81776(6) 0.0182(2) Uani d . 1 . .
    C C54 0.42103(9) 0.40014(9) 0.86792(6) 0.0207(3) Uani d . 1 B .
    C C64 0.55596(14) 0.49150(15) 0.57357(8) 0.0360(5) Uani d PD 0.8452(18) B 1
    H H64A 0.6068 0.5175 0.5766 0.054 Uiso calc PR 0.8452(18) B 1
    H H64B 0.5135 0.5334 0.5427 0.054 Uiso calc PR 0.8452(18) B 1
    H H64C 0.5852 0.4314 0.5598 0.054 Uiso calc PR 0.8452(18) B 1
    C C74 0.44656(16) 0.57734(13) 0.65322(9) 0.0389(5) Uani d PD 0.8452(18) B 1
    H H74A 0.4948 0.6045 0.6595 0.058 Uiso calc PR 0.8452(18) B 1
    H H74B 0.4010 0.5747 0.6918 0.058 Uiso calc PR 0.8452(18) B 1
    H H74C 0.4117 0.6154 0.6175 0.058 Uiso calc PR 0.8452(18) B 1
    C C84 0.41971(14) 0.43593(15) 0.63151(10) 0.0363(4) Uani d PD 0.8452(18) B 1
    H H84A 0.3748 0.4354 0.6706 0.054 Uiso calc PR 0.8452(18) B 1
    H H84B 0.4511 0.3726 0.6237 0.054 Uiso calc PR 0.8452(18) B 1
    H H84C 0.3843 0.4725 0.5957 0.054 Uiso calc PR 0.8452(18) B 1
    C C64' 0.3814(6) 0.5075(7) 0.6545(5) 0.0360(5) Uani d PD 0.1548(18) B 5
    H H64D 0.3703 0.5528 0.6824 0.054 Uiso calc PR 0.1548(18) B 5
    H H64E 0.3525 0.4590 0.6762 0.054 Uiso calc PR 0.1548(18) B 5
    H H64F 0.3521 0.5382 0.6153 0.054 Uiso calc PR 0.1548(18) B 5
    C C74' 0.5032(8) 0.3980(6) 0.5916(5) 0.0389(5) Uani d PD 0.1548(18) B 5
    H H74D 0.4611 0.4277 0.5579 0.058 Uiso d PR 0.1548(18) B 5
    H H74E 0.4842 0.3449 0.6168 0.058 Uiso d PR 0.1548(18) B 5
    H H74F 0.5702 0.3770 0.5725 0.058 Uiso d PR 0.1548(18) B 5
    C C84' 0.5306(7) 0.5443(7) 0.6025(5) 0.0363(4) Uani d PD 0.1548(18) B 5
    H H84D 0.5223 0.5879 0.6311 0.054 Uiso calc PR 0.1548(18) B 5
    H H84E 0.4954 0.5762 0.5658 0.054 Uiso calc PR 0.1548(18) B 5
    H H84F 0.5993 0.5196 0.5880 0.054 Uiso calc PR 0.1548(18) B 5
    C C94 0.37929(11) 0.50562(10) 0.86312(7) 0.0277(3) Uani d . 1 . .
    H H94A 0.3221 0.5203 0.8942 0.042 Uiso calc R 1 B .
    H H94B 0.3614 0.5332 0.8202 0.042 Uiso calc R 1 . .
    H H94C 0.4279 0.5305 0.8718 0.042 Uiso calc R 1 . .
    C C104 0.34602(10) 0.36013(11) 0.85311(7) 0.0278(3) Uani d . 1 . .
    H H10F 0.2874 0.3760 0.8829 0.042 Uiso calc R 1 B .
    H H10G 0.3726 0.2928 0.8574 0.042 Uiso calc R 1 . .
    H H10H 0.3304 0.3862 0.8096 0.042 Uiso calc R 1 . .
    C C114 0.43736(10) 0.36092(11) 0.93765(7) 0.0259(3) Uani d . 1 . .
    H H11J 0.3762 0.3794 0.9648 0.039 Uiso calc R 1 B .
    H H11K 0.4844 0.3849 0.9494 0.039 Uiso calc R 1 . .
    H H11L 0.4619 0.2934 0.9433 0.039 Uiso calc R 1 . .
    C C15 0.71209(9) 0.36688(9) 0.63589(6) 0.0196(3) Uani d . 1 . .
    C C25 0.77008(11) 0.42578(10) 0.61851(7) 0.0249(3) Uani d . 1 B .
    C C35 0.83481(10) 0.41770(10) 0.56308(7) 0.0252(3) Uani d . 1 . .
    H H35A 0.8730 0.4586 0.5505 0.030 Uiso calc R 1 B .
    C C45 0.84522(10) 0.35244(9) 0.52595(6) 0.0219(3) Uani d . 1 B .
    C C55 0.79103(10) 0.29108(10) 0.54714(7) 0.0253(3) Uani d . 1 . .
    H H55A 0.7998 0.2436 0.5235 0.030 Uiso calc R 1 B .
    C C65 0.72490(10) 0.29647(10) 0.60124(7) 0.0237(3) Uani d D 1 B .
    C C75 0.76521(13) 0.49685(12) 0.65829(8) 0.0366(4) Uani d . 1 . .
    H H75A 0.7111 0.4965 0.6932 0.044 Uiso calc R 1 B .
    C C85 0.85866(16) 0.46964(15) 0.68890(9) 0.0500(5) Uani d . 1 B .
    H H85A 0.8694 0.4076 0.7143 0.075 Uiso calc R 1 . .
    H H85B 0.8535 0.5138 0.7164 0.075 Uiso calc R 1 . .
    H H85C 0.9129 0.4700 0.6556 0.075 Uiso calc R 1 . .
    C C95 0.74523(15) 0.59482(13) 0.62020(10) 0.0474(5) Uani d . 1 B .
    H H95A 0.6849 0.6116 0.6014 0.071 Uiso calc R 1 . .
    H H95B 0.7983 0.5975 0.5864 0.071 Uiso calc R 1 . .
    H H95C 0.7397 0.6381 0.6484 0.071 Uiso calc R 1 . .
    C C105 0.91102(11) 0.34470(10) 0.46392(7) 0.0266(3) Uani d . 1 . .
    H H10I 0.9547 0.2798 0.4673 0.032 Uiso calc R 1 B .
    C C115 0.85174(13) 0.36162(14) 0.40874(7) 0.0399(4) Uani d . 1 B .
    H H11M 0.8126 0.3192 0.4181 0.060 Uiso calc R 1 . .
    H H11N 0.8953 0.3510 0.3696 0.060 Uiso calc R 1 . .
    H H11O 0.8094 0.4255 0.4032 0.060 Uiso calc R 1 . .
    C C125 0.97441(11) 0.40827(12) 0.44869(7) 0.0322(3) Uani d . 1 B .
    H H12G 1.0151 0.3946 0.4828 0.048 Uiso calc R 1 . .
    H H12H 0.9336 0.4726 0.4449 0.048 Uiso calc R 1 . .
    H H12I 1.0154 0.3985 0.4085 0.048 Uiso calc R 1 . .
    C C135 0.6591(8) 0.2347(6) 0.6164(5) 0.0310(11) Uani d PD 0.458(7) B 1
    H H13C 0.6030 0.2628 0.6465 0.037 Uiso calc PR 0.458(7) B 1
    C C145 0.6185(6) 0.2217(6) 0.5600(3) 0.0530(15) Uani d PD 0.458(7) B 1
    H H14G 0.6717 0.1913 0.5305 0.079 Uiso calc PR 0.458(7) B 1
    H H14H 0.5826 0.2820 0.5381 0.079 Uiso calc PR 0.458(7) B 1
    H H14I 0.5754 0.1833 0.5753 0.079 Uiso calc PR 0.458(7) B 1
    C C155 0.7158(7) 0.1425(6) 0.6520(4) 0.0555(13) Uani d PD 0.458(7) B 1
    H H15G 0.7534 0.1533 0.6810 0.083 Uiso calc PR 0.458(7) B 1
    H H15H 0.7596 0.1053 0.6215 0.083 Uiso calc PR 0.458(7) B 1
    H H15I 0.6711 0.1096 0.6764 0.083 Uiso calc PR 0.458(7) B 1
    C C13" 0.6749(7) 0.2223(5) 0.6273(4) 0.0310(11) Uani d PD 0.542(7) B 5
    H H13D 0.6104 0.2526 0.6492 0.037 Uiso calc PR 0.542(7) B 5
    C C14" 0.6574(5) 0.1824(5) 0.5733(3) 0.0530(15) Uani d PD 0.542(7) B 5
    H H14J 0.7192 0.1460 0.5539 0.079 Uiso calc PR 0.542(7) B 5
    H H14K 0.6259 0.2330 0.5412 0.079 Uiso calc PR 0.542(7) B 5
    H H14L 0.6159 0.1428 0.5904 0.079 Uiso calc PR 0.542(7) B 5
    C C15" 0.7294(6) 0.1452(5) 0.6760(3) 0.0555(13) Uani d PD 0.542(7) B 5
    H H15J 0.7922 0.1125 0.6556 0.083 Uiso calc PR 0.542(7) B 5
    H H15K 0.6920 0.1018 0.6933 0.083 Uiso calc PR 0.542(7) B 5
    H H15L 0.7389 0.1717 0.7106 0.083 Uiso calc PR 0.542(7) B 5
    C C16 0.63175(9) 0.27651(9) 0.89062(6) 0.0195(3) Uani d . 1 . .
    C C26 0.67526(10) 0.31968(10) 0.92223(6) 0.0216(3) Uani d . 1 B .
    C C36 0.72082(10) 0.26877(10) 0.97519(7) 0.0239(3) Uani d . 1 . .
    H H36A 0.7496 0.2980 0.9971 0.029 Uiso calc R 1 B .
    C C46 0.72587(10) 0.17709(10) 0.99723(7) 0.0247(3) Uani d . 1 B .
    C C56 0.68190(10) 0.13622(10) 0.96500(7) 0.0250(3) Uani d . 1 . .
    H H56A 0.6838 0.0736 0.9799 0.030 Uiso calc R 1 B .
    C C66 0.63525(10) 0.18351(10) 0.91176(6) 0.0216(3) Uani d . 1 B .
    C C76 0.67738(10) 0.41850(10) 0.89885(7) 0.0249(3) Uani d . 1 . .
    H H76A 0.6328 0.4469 0.8653 0.030 Uiso calc R 1 B .
    C C86 0.64319(12) 0.47692(11) 0.95159(8) 0.0331(3) Uani d . 1 B .
    H H86A 0.5774 0.4773 0.9696 0.050 Uiso calc R 1 . .
    H H86B 0.6441 0.5403 0.9340 0.050 Uiso calc R 1 . .
    H H86C 0.6862 0.4507 0.9850 0.050 Uiso calc R 1 . .
    C C96 0.77857(13) 0.42012(13) 0.86881(9) 0.0431(4) Uani d . 1 B .
    H H96A 0.7990 0.3843 0.8341 0.065 Uiso calc R 1 . .
    H H96B 0.8236 0.3931 0.9010 0.065 Uiso calc R 1 . .
    H H96C 0.7781 0.4840 0.8521 0.065 Uiso calc R 1 . .
    C C106 0.78172(11) 0.12211(11) 1.05258(7) 0.0293(3) Uani d . 1 . .
    H H10J 0.8012 0.1664 1.0708 0.035 Uiso calc R 1 B .
    C C116 0.72173(12) 0.07643(12) 1.10528(7) 0.0361(4) Uani d . 1 B .
    H H11P 0.6634 0.1233 1.1194 0.054 Uiso calc R 1 . .
    H H11Q 0.7595 0.0458 1.1411 0.054 Uiso calc R 1 . .
    H H11R 0.7035 0.0307 1.0894 0.054 Uiso calc R 1 . .
    C C126 0.87401(11) 0.05167(11) 1.02930(8) 0.0318(3) Uani d . 1 B .
    H H12J 0.9121 0.0834 0.9963 0.048 Uiso calc R 1 . .
    H H12K 0.8574 0.0065 1.0117 0.048 Uiso calc R 1 . .
    H H12L 0.9117 0.0199 1.0649 0.048 Uiso calc R 1 . .
    C C136 0.59303(10) 0.13234(10) 0.87744(7) 0.0249(3) Uani d . 1 . .
    H H13E 0.5593 0.1775 0.8422 0.030 Uiso calc R 1 B .
    C C146 0.51947(12) 0.09074(12) 0.92189(8) 0.0336(3) Uani d . 1 B .
    H H14M 0.4670 0.1400 0.9390 0.050 Uiso calc R 1 . .
    H H14N 0.5511 0.0464 0.9569 0.050 Uiso calc R 1 . .
    H H14O 0.4932 0.0592 0.8982 0.050 Uiso calc R 1 . .
    C C156 0.67379(12) 0.05648(12) 0.84820(8) 0.0356(4) Uani d . 1 B .
    H H15M 0.7202 0.0839 0.8197 0.053 Uiso calc R 1 . .
    H H15N 0.6461 0.0266 0.8241 0.053 Uiso calc R 1 . .
    H H15O 0.7067 0.0105 0.8821 0.053 Uiso calc R 1 . .
    C C17 0.6707(5) 0.8041(4) 0.9284(3) 0.0645(16) Uani d PD 0.608(5) C 1
    H H17A 0.6215 0.8632 0.9329 0.097 Uiso calc PR 0.608(5) C 1
    H H17B 0.7309 0.8154 0.9068 0.097 Uiso calc PR 0.608(5) C 1
    H H17C 0.6818 0.7670 0.9706 0.097 Uiso calc PR 0.608(5) C 1
    C C27 0.6369(3) 0.7532(2) 0.89003(17) 0.0476(10) Uani d PD 0.608(5) C 1
    C C37 0.5426(3) 0.7481(3) 0.9019(2) 0.0412(10) Uani d PD 0.608(5) C 1
    H H37 0.4995 0.7772 0.9345 0.049 Uiso calc PR 0.608(5) C 1
    C C47 0.5115(4) 0.7019(3) 0.8674(3) 0.0570(14) Uani d PD 0.608(5) C 1
    H H47 0.4471 0.6991 0.8768 0.068 Uiso calc PR 0.608(5) C 1
    C C57 0.5711(4) 0.6591(3) 0.8191(2) 0.0693(15) Uani d PD 0.608(5) C 1
    H H57 0.5485 0.6273 0.7953 0.083 Uiso calc PR 0.608(5) C 1
    C C67 0.6631(4) 0.6637(3) 0.80653(18) 0.0727(17) Uani d PD 0.608(5) C 1
    H H67 0.7042 0.6375 0.7721 0.087 Uiso calc PR 0.608(5) C 1
    C C77 0.6977(5) 0.7061(5) 0.8431(3) 0.070(2) Uani d PDU 0.608(5) C 1
    H H77 0.7639 0.7031 0.8362 0.084 Uiso calc PR 0.608(5) C 1
    C C17' 0.5982(5) 0.6487(4) 0.7801(3) 0.074(2) Uani d PD 0.392(5) C 5
    H H17D 0.5801 0.6908 0.7406 0.111 Uiso calc PR 0.392(5) C 5
    H H17E 0.5477 0.6193 0.7981 0.111 Uiso calc PR 0.392(5) C 5
    H H17F 0.6592 0.6012 0.7712 0.111 Uiso calc PR 0.392(5) C 5
    C C27' 0.6099(5) 0.7019(3) 0.8265(2) 0.067(2) Uani d PD 0.392(5) C 5
    C C37' 0.6970(7) 0.7161(6) 0.8285(4) 0.072(3) Uani d PDU 0.392(5) C 5
    H H37' 0.7503 0.6915 0.7993 0.086 Uiso calc PR 0.392(5) C 5
    C C47' 0.7099(6) 0.7637(6) 0.8703(4) 0.124(4) Uani d PD 0.392(5) C 5
    H H47' 0.7713 0.7710 0.8702 0.148 Uiso calc PR 0.392(5) C 5
    C C57' 0.6331(7) 0.8014(6) 0.9129(4) 0.097(5) Uani d PD 0.392(5) C 5
    H H57' 0.6408 0.8356 0.9420 0.116 Uiso calc PR 0.392(5) C 5
    C C67' 0.5465(6) 0.7887(6) 0.9127(4) 0.079(4) Uani d PD 0.392(5) C 5
    H H67' 0.4937 0.8139 0.9422 0.095 Uiso calc PR 0.392(5) C 5
    C C77' 0.5333(7) 0.7401(6) 0.8706(4) 0.081(4) Uani d PD 0.392(5) C 5
    H H77' 0.4718 0.7324 0.8714 0.098 Uiso calc PR 0.392(5) C 5
    C C18 -0.1575(16) 0.5716(10) 0.9846(3) 0.067(3) Uani d PD 0.50 D -1
    H H18A -0.1657 0.5777 0.9398 0.100 Uiso calc PR 0.50 D -1
    H H18B -0.1784 0.6329 0.9966 0.100 Uiso calc PR 0.50 D -1
    H H18C -0.1965 0.5341 1.0111 0.100 Uiso calc PR 0.50 D -1
    C C28 -0.0552(3) 0.5265(3) 0.99378(14) 0.0384(8) Uani d PD 0.50 D -1
    C C38 0.0049(18) 0.5795(10) 0.9871(3) 0.042(3) Uani d PD 0.50 D -1
    H H38 -0.0193 0.6448 0.9767 0.051 Uiso calc PR 0.50 D -1
    C C48 0.1017(3) 0.5374(4) 0.99566(18) 0.0579(12) Uani d PD 0.50 D -1
    H H48 0.1435 0.5743 0.9908 0.070 Uiso calc PR 0.50 D -1
    C C58 0.1377(17) 0.4428(9) 1.0111(3) 0.067(3) Uani d PD 0.50 D -1
    H H58 0.2036 0.4144 1.0174 0.080 Uiso calc PR 0.50 D -1
    C C68 0.0764(3) 0.3896(3) 1.01743(18) 0.0540(10) Uani d PD 0.50 D -1
    H H68 0.1004 0.3242 1.0275 0.065 Uiso calc PR 0.50 D -1
    C C78 -0.0222(18) 0.4327(10) 1.0089(3) 0.042(3) Uani d PD 0.50 D -1
    H H78 -0.0648 0.3967 1.0136 0.051 Uiso calc PR 0.50 D -1
    C C19 0.3795(10) 0.0612(13) 0.4819(6) 0.090(3) Uani d PDU 0.313(8) E -1
    H H19A 0.3834 0.1245 0.4722 0.134 Uiso calc PR 0.313(8) E -1
    H H19B 0.3283 0.0564 0.5167 0.134 Uiso calc PR 0.313(8) E -1
    H H19C 0.3650 0.0454 0.4441 0.134 Uiso calc PR 0.313(8) E -1
    C C29 0.4776(9) -0.0066(10) 0.5018(5) 0.059(3) Uani d PDU 0.313(8) E -1
    C C39 0.4950(11) -0.0999(10) 0.5125(5) 0.067(5) Uani d PD 0.313(8) E -1
    H H39 0.4468 -0.1255 0.5080 0.080 Uiso calc PR 0.313(8) E -1
    C C49 0.5809(11) -0.1552(8) 0.5295(6) 0.087(5) Uani d PD 0.313(8) E -1
    H H49 0.5930 -0.2203 0.5368 0.104 Uiso calc PR 0.313(8) E -1
    C C59 0.6515(10) -0.1199(10) 0.5366(7) 0.093(3) Uani d PDU 0.313(8) E -1
    H H59 0.7118 -0.1596 0.5490 0.112 Uiso calc PR 0.313(8) E -1
    C C69 0.6328(12) -0.0261(11) 0.5253(11) 0.086(3) Uani d PD 0.313(8) E -1
    H H69 0.6808 0.0001 0.5295 0.104 Uiso calc PR 0.313(8) E -1
    C C79 0.5471(11) 0.0289(12) 0.5085(11) 0.055(2) Uani d PD 0.313(8) E -1
    H H79 0.5347 0.0939 0.5011 0.066 Uiso calc PR 0.313(8) E -1
    C C19' 0.3727(18) 0.121(2) 0.4765(11) 0.085(3) Uani d PDU 0.187(8) E -5
    H H19D 0.3905 0.1759 0.4785 0.128 Uiso calc PR 0.187(8) E -5
    H H19E 0.3156 0.1186 0.5069 0.128 Uiso calc PR 0.187(8) E -5
    H H19F 0.3582 0.1248 0.4334 0.128 Uiso calc PR 0.187(8) E -5
    C C29' 0.4585(13) 0.0323(15) 0.4934(9) 0.065(3) Uani d PDU 0.187(8) E -5
    C C39' 0.4537(15) -0.0538(17) 0.4967(9) 0.055(2) Uani d PD 0.187(8) E -5
    H H39' 0.3968 -0.0632 0.4886 0.066 Uiso calc PR 0.187(8) E -5
    C C49' 0.5323(15) -0.1268(17) 0.5118(9) 0.063(7) Uani d PD 0.187(8) E -5
    H H49' 0.5306 -0.1881 0.5144 0.076 Uiso calc PR 0.187(8) E -5
    C C59' 0.6125(17) -0.1119(19) 0.5231(12) 0.085(3) Uani d PDU 0.187(8) E -5
    H H59' 0.6669 -0.1633 0.5337 0.102 Uiso calc PR 0.187(8) E -5
    C C69' 0.6171(19) -0.0249(18) 0.5197(18) 0.086(3) Uani d PD 0.187(8) E -5
    H H69' 0.6740 -0.0153 0.5276 0.104 Uiso calc PR 0.187(8) E -5
    C C79' 0.5394(18) 0.0471(17) 0.5048(16) 0.055(2) Uani d PD 0.187(8) E -5
    H H79' 0.5411 0.1083 0.5023 0.066 Uiso calc PR 0.187(8) E -5
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Fe1 0.01367(9) 0.02020(10) 0.02479(10) -0.00369(7) -0.00026(7) -0.00799(8)
    Fe2 0.01355(9) 0.02779(11) 0.01987(10) -0.00230(8) 0.00011(7) -0.00233(8)
    C1 0.0163(6) 0.0271(7) 0.0269(7) -0.0033(5) -0.0032(5) -0.0058(6)
    O1 0.0209(5) 0.0315(6) 0.0222(5) -0.0011(4) -0.0015(4) -0.0020(4)
    O2 0.0173(5) 0.0432(6) 0.0228(5) 0.0022(4) -0.0011(4) 0.0008(5)
    O3 0.0163(5) 0.0568(8) 0.0323(6) 0.0050(5) -0.0001(4) -0.0002(5)
    N11 0.0195(5) 0.0203(5) 0.0187(5) -0.0083(4) -0.0001(4) -0.0053(4)
    N21 0.0158(5) 0.0201(5) 0.0181(5) -0.0055(4) -0.0021(4) -0.0052(4)
    C11 0.0188(7) 0.0400(9) 0.0286(8) -0.0148(6) 0.0026(6) -0.0106(6)
    C21 0.0179(6) 0.0284(7) 0.0155(6) -0.0095(5) -0.0005(5) -0.0047(5)
    C31 0.0152(6) 0.0259(7) 0.0192(6) -0.0036(5) -0.0012(5) -0.0061(5)
    C41 0.0191(6) 0.0215(6) 0.0154(6) -0.0035(5) -0.0023(5) -0.0047(5)
    C51 0.0217(7) 0.0219(7) 0.0283(7) -0.0017(5) -0.0024(5) -0.0093(6)
    C61 0.0273(8) 0.0467(10) 0.0416(9) -0.0241(7) 0.0024(7) -0.0139(8)
    C71 0.0287(8) 0.0581(11) 0.0348(9) -0.0251(8) 0.0113(7) -0.0158(8)
    C81 0.0224(7) 0.0522(10) 0.0422(10) -0.0146(7) -0.0081(7) -0.0109(8)
    C91 0.0302(8) 0.0353(9) 0.0378(9) -0.0062(7) 0.0056(7) -0.0198(7)
    C101 0.0371(9) 0.0243(8) 0.0449(10) 0.0007(7) -0.0143(7) -0.0058(7)
    C111 0.0292(8) 0.0231(7) 0.0427(9) -0.0039(6) -0.0029(7) -0.0148(7)
    C12 0.0206(6) 0.0215(6) 0.0215(6) -0.0104(5) -0.0001(5) -0.0058(5)
    C22 0.0305(7) 0.0271(7) 0.0176(6) -0.0140(6) 0.0002(5) -0.0049(5)
    C32 0.0337(8) 0.0228(7) 0.0201(7) -0.0138(6) -0.0027(6) 0.0000(5)
    C42 0.0248(7) 0.0210(6) 0.0232(7) -0.0110(5) -0.0025(5) -0.0037(5)
    C52 0.0273(7) 0.0231(7) 0.0195(6) -0.0118(6) -0.0004(5) -0.0056(5)
    C62 0.0212(6) 0.0234(7) 0.0187(6) -0.0115(5) -0.0006(5) -0.0037(5)
    C72 0.0490(10) 0.0263(7) 0.0181(7) -0.0144(7) 0.0010(6) -0.0043(6)
    C82 0.0597(12) 0.0444(10) 0.0232(8) -0.0245(9) 0.0092(8) -0.0065(7)
    C92 0.0675(13) 0.0533(11) 0.0230(8) -0.0323(10) -0.0084(8) -0.0071(8)
    C102 0.0310(7) 0.0202(7) 0.0246(7) -0.0107(6) -0.0042(6) -0.0027(5)
    C112 0.0369(9) 0.0276(8) 0.0550(11) -0.0159(7) -0.0045(8) -0.0095(7)
    C122 0.0384(9) 0.0275(8) 0.0391(9) -0.0107(7) 0.0044(7) -0.0099(7)
    C132 0.0270(7) 0.0208(6) 0.0188(6) -0.0101(5) -0.0007(5) -0.0037(5)
    C142 0.0368(9) 0.0360(8) 0.0262(8) -0.0185(7) -0.0083(6) 0.0026(6)
    C152 0.0333(8) 0.0297(8) 0.0230(7) -0.0131(6) 0.0036(6) -0.0025(6)
    C13 0.0173(6) 0.0212(6) 0.0249(7) -0.0057(5) -0.0018(5) -0.0097(5)
    C23 0.0212(7) 0.0304(7) 0.0250(7) -0.0076(6) -0.0030(5) -0.0095(6)
    C33 0.0246(7) 0.0458(9) 0.0309(8) -0.0111(7) -0.0056(6) -0.0159(7)
    C43 0.0251(8) 0.0526(10) 0.0417(9) -0.0198(7) 0.0024(7) -0.0238(8)
    C53 0.0332(8) 0.0472(10) 0.0331(8) -0.0256(7) 0.0073(7) -0.0161(7)
    C63 0.0268(7) 0.0295(7) 0.0260(7) -0.0139(6) 0.0016(6) -0.0107(6)
    C73 0.0349(8) 0.0470(10) 0.0211(7) -0.0197(7) -0.0078(6) -0.0035(7)
    C83 0.0616(12) 0.0413(10) 0.0311(9) -0.0184(9) -0.0163(8) -0.0041(7)
    C93 0.0380(9) 0.0636(12) 0.0236(8) -0.0128(9) -0.0032(7) -0.0064(8)
    C103 0.0266(10) 0.0229(14) 0.0342(18) -0.0119(11) -0.0082(9) -0.0021(11)
    C113 0.0280(15) 0.0376(19) 0.069(5) -0.0164(13) -0.0023(18) -0.013(2)
    C123 0.044(2) 0.070(3) 0.058(3) -0.036(2) 0.0010(18) -0.035(2)
    C10' 0.0266(10) 0.0229(14) 0.0342(18) -0.0119(11) -0.0082(9) -0.0021(11)
    C11' 0.0280(15) 0.0376(19) 0.069(5) -0.0164(13) -0.0023(18) -0.013(2)
    C12' 0.044(2) 0.070(3) 0.058(3) -0.036(2) 0.0010(18) -0.035(2)
    C10" 0.0266(10) 0.0229(14) 0.0342(18) -0.0119(11) -0.0082(9) -0.0021(11)
    C11" 0.0280(15) 0.0376(19) 0.069(5) -0.0164(13) -0.0023(18) -0.013(2)
    C12" 0.044(2) 0.070(3) 0.058(3) -0.036(2) 0.0010(18) -0.035(2)
    C133 0.0406(9) 0.0354(8) 0.0242(7) -0.0235(7) -0.0008(6) -0.0052(6)
    C143 0.0522(11) 0.0529(11) 0.0264(8) -0.0297(9) 0.0084(7) -0.0123(8)
    C153 0.0606(12) 0.0399(10) 0.0353(9) -0.0255(9) -0.0083(8) -0.0006(8)
    N14 0.0170(5) 0.0218(6) 0.0183(5) -0.0047(4) 0.0007(4) -0.0044(4)
    N24 0.0157(5) 0.0223(6) 0.0184(5) -0.0049(4) -0.0012(4) -0.0027(4)
    C14 0.0228(7) 0.0268(10) 0.0200(7) -0.0032(7) -0.0051(6) -0.0042(6)
    C14' 0.0228(7) 0.0268(10) 0.0200(7) -0.0032(7) -0.0051(6) -0.0042(6)
    C24 0.0200(6) 0.0199(6) 0.0210(6) -0.0048(5) -0.0031(5) -0.0056(5)
    C34 0.0146(6) 0.0235(7) 0.0212(6) -0.0015(5) -0.0019(5) -0.0059(5)
    C44 0.0156(6) 0.0200(6) 0.0203(6) -0.0066(5) -0.0002(5) -0.0059(5)
    C54 0.0148(6) 0.0257(7) 0.0218(6) -0.0064(5) 0.0012(5) -0.0070(5)
    C64 0.0306(10) 0.0477(12) 0.0203(9) -0.0013(8) -0.0067(7) 0.0006(8)
    C74 0.0497(12) 0.0268(9) 0.0299(10) 0.0039(8) -0.0097(9) -0.0033(8)
    C84 0.0270(9) 0.0488(12) 0.0334(10) -0.0076(8) -0.0112(8) -0.0072(9)
    C64' 0.0306(10) 0.0477(12) 0.0203(9) -0.0013(8) -0.0067(7) 0.0006(8)
    C74' 0.0497(12) 0.0268(9) 0.0299(10) 0.0039(8) -0.0097(9) -0.0033(8)
    C84' 0.0270(9) 0.0488(12) 0.0334(10) -0.0076(8) -0.0112(8) -0.0072(9)
    C94 0.0238(7) 0.0291(8) 0.0285(8) -0.0047(6) 0.0033(6) -0.0113(6)
    C104 0.0194(7) 0.0357(8) 0.0310(8) -0.0118(6) 0.0013(6) -0.0091(6)
    C114 0.0191(6) 0.0353(8) 0.0215(7) -0.0079(6) 0.0034(5) -0.0063(6)
    C15 0.0179(6) 0.0212(6) 0.0178(6) -0.0052(5) -0.0001(5) -0.0016(5)
    C25 0.0268(7) 0.0269(7) 0.0231(7) -0.0124(6) 0.0011(6) -0.0054(6)
    C35 0.0264(7) 0.0270(7) 0.0243(7) -0.0145(6) 0.0014(6) -0.0019(6)
    C45 0.0202(6) 0.0233(7) 0.0190(6) -0.0063(5) 0.0008(5) 0.0001(5)
    C55 0.0275(7) 0.0232(7) 0.0245(7) -0.0096(6) 0.0061(6) -0.0066(6)
    C65 0.0224(7) 0.0233(7) 0.0259(7) -0.0104(5) 0.0042(5) -0.0054(5)
    C75 0.0461(10) 0.0437(10) 0.0315(8) -0.0307(8) 0.0118(7) -0.0169(7)
    C85 0.0739(14) 0.0657(13) 0.0293(9) -0.0463(12) -0.0068(9) -0.0077(9)
    C95 0.0562(12) 0.0372(10) 0.0574(12) -0.0231(9) 0.0033(9) -0.0199(9)
    C105 0.0265(7) 0.0281(7) 0.0209(7) -0.0093(6) 0.0051(5) 0.0001(6)
    C115 0.0467(10) 0.0611(12) 0.0214(7) -0.0336(9) 0.0043(7) -0.0064(7)
    C125 0.0289(8) 0.0452(9) 0.0227(7) -0.0183(7) 0.0028(6) 0.0002(7)
    C135 0.038(3) 0.0323(19) 0.028(2) -0.022(2) 0.0126(16) -0.0112(15)
    C145 0.063(4) 0.076(4) 0.045(2) -0.055(3) 0.021(2) -0.031(3)
    C155 0.084(3) 0.0325(12) 0.054(4) -0.0331(15) 0.002(3) 0.002(3)
    C13" 0.038(3) 0.0323(19) 0.028(2) -0.022(2) 0.0126(16) -0.0112(15)
    C14" 0.063(4) 0.076(4) 0.045(2) -0.055(3) 0.021(2) -0.031(3)
    C15" 0.084(3) 0.0325(12) 0.054(4) -0.0331(15) 0.002(3) 0.002(3)
    C16 0.0146(6) 0.0246(7) 0.0170(6) -0.0045(5) 0.0004(5) -0.0030(5)
    C26 0.0180(6) 0.0257(7) 0.0203(6) -0.0065(5) 0.0003(5) -0.0046(5)
    C36 0.0220(7) 0.0294(7) 0.0220(7) -0.0085(6) -0.0032(5) -0.0060(6)
    C46 0.0225(7) 0.0306(7) 0.0190(6) -0.0058(6) -0.0031(5) -0.0032(6)
    C56 0.0261(7) 0.0238(7) 0.0230(7) -0.0071(6) -0.0026(5) -0.0003(5)
    C66 0.0181(6) 0.0262(7) 0.0200(6) -0.0072(5) -0.0004(5) -0.0037(5)
    C76 0.0258(7) 0.0263(7) 0.0243(7) -0.0100(6) -0.0042(6) -0.0033(6)
    C86 0.0353(9) 0.0308(8) 0.0358(9) -0.0132(7) 0.0021(7) -0.0112(7)
    C96 0.0408(10) 0.0397(10) 0.0484(11) -0.0211(8) 0.0152(8) -0.0090(8)
    C106 0.0334(8) 0.0296(8) 0.0247(7) -0.0073(6) -0.0099(6) -0.0023(6)
    C116 0.0383(9) 0.0362(9) 0.0233(8) -0.0001(7) -0.0025(7) -0.0011(6)
    C126 0.0258(7) 0.0349(8) 0.0305(8) -0.0060(6) -0.0066(6) 0.0015(6)
    C136 0.0266(7) 0.0257(7) 0.0249(7) -0.0104(6) -0.0049(6) -0.0037(6)
    C146 0.0324(8) 0.0372(9) 0.0371(9) -0.0188(7) -0.0013(7) -0.0075(7)
    C156 0.0349(9) 0.0386(9) 0.0382(9) -0.0148(7) 0.0012(7) -0.0154(7)
    C17 0.067(3) 0.043(2) 0.086(4) -0.031(2) 0.002(3) 0.000(2)
    C27 0.053(2) 0.0329(18) 0.0419(19) -0.0078(15) 0.0022(15) 0.0108(14)
    C37 0.0401(19) 0.037(2) 0.032(2) 0.0039(16) -0.0039(18) -0.001(2)
    C47 0.056(3) 0.049(3) 0.049(2) 0.014(2) -0.0247(19) -0.004(2)
    C57 0.084(4) 0.056(3) 0.045(2) 0.024(2) -0.031(2) -0.011(2)
    C67 0.091(4) 0.062(3) 0.0300(19) 0.019(3) 0.000(2) -0.0061(17)
    C77 0.067(3) 0.058(3) 0.048(3) -0.001(2) 0.019(2) 0.017(3)
    C17' 0.074(5) 0.058(4) 0.051(4) 0.017(3) 0.010(4) -0.001(3)
    C27' 0.075(5) 0.035(3) 0.045(3) 0.016(3) 0.022(3) 0.012(3)
    C37' 0.081(5) 0.049(4) 0.065(6) -0.028(4) 0.049(4) -0.001(4)
    C47' 0.131(8) 0.096(6) 0.144(9) -0.078(6) 0.073(7) -0.025(6)
    C57' 0.147(14) 0.067(6) 0.067(7) -0.047(9) 0.038(8) -0.010(5)
    C67' 0.079(6) 0.082(7) 0.032(4) 0.023(6) 0.003(3) 0.004(4)
    C77' 0.070(6) 0.088(8) 0.030(4) 0.044(5) -0.003(4) -0.003(5)
    C18 0.041(8) 0.105(4) 0.0548(15) -0.018(5) 0.004(2) -0.029(2)
    C28 0.0360(19) 0.058(2) 0.0275(17) -0.0193(17) 0.0040(14) -0.0191(16)
    C38 0.049(7) 0.052(3) 0.0359(11) -0.028(5) -0.001(2) -0.0120(15)
    C48 0.053(3) 0.087(4) 0.048(2) -0.042(3) -0.005(2) -0.009(2)
    C58 0.041(8) 0.105(4) 0.0548(15) -0.018(5) 0.004(2) -0.029(2)
    C68 0.061(3) 0.054(3) 0.041(2) -0.007(2) 0.0030(19) -0.0192(19)
    C78 0.049(7) 0.052(3) 0.0359(11) -0.028(5) -0.001(2) -0.0120(15)
    C19 0.086(6) 0.105(8) 0.088(5) -0.030(7) -0.028(4) -0.021(7)
    C29 0.073(6) 0.084(7) 0.043(4) -0.042(6) -0.011(4) -0.030(5)
    C39 0.091(12) 0.100(12) 0.040(6) -0.075(10) 0.027(7) -0.034(7)
    C49 0.135(14) 0.056(6) 0.053(7) -0.026(8) 0.029(7) -0.015(5)
    C59 0.081(7) 0.102(6) 0.099(7) -0.015(6) -0.022(5) -0.030(6)
    C69 0.069(6) 0.116(7) 0.104(6) -0.063(6) 0.019(5) -0.048(5)
    C79 0.070(4) 0.075(6) 0.041(3) -0.048(4) 0.014(2) -0.028(4)
    C19' 0.085(6) 0.098(6) 0.090(5) -0.026(6) -0.031(4) -0.039(5)
    C29' 0.075(6) 0.091(8) 0.052(5) -0.039(6) -0.011(4) -0.035(6)
    C39' 0.070(4) 0.075(6) 0.041(3) -0.048(4) 0.014(2) -0.028(4)
    C49' 0.085(19) 0.095(18) 0.035(10) -0.061(15) 0.003(9) -0.017(9)
    C59' 0.085(6) 0.098(6) 0.090(5) -0.026(6) -0.031(4) -0.039(5)
    C69' 0.069(6) 0.116(7) 0.104(6) -0.063(6) 0.019(5) -0.048(5)
    C79' 0.070(4) 0.075(6) 0.041(3) -0.048(4) 0.014(2) -0.028(4)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Fe1 N11 . 1.9754(11) y
    Fe1 N21 . 1.9763(11) y
    Fe1 O2 . 2.0293(10) y
    Fe1 O1 . 2.0692(10) y
    Fe2 O3 . 1.8563(11) y
    Fe2 N14 . 1.9427(11) y
    Fe2 N24 . 1.9816(11) y
    C1 O1 . 1.2715(17) y
    C1 O2 . 1.2745(17) y
    C1 O3 . 1.2897(17) y
    N11 C21 . 1.3378(17) ?
    N11 C12 . 1.4398(17) ?
    N21 C41 . 1.3363(16) ?
    N21 C13 . 1.4400(16) ?
    C11 C61 . 1.535(2) ?
    C11 C81 . 1.540(2) ?
    C11 C71 . 1.545(2) ?
    C11 C21 . 1.5605(18) ?
    C21 C31 . 1.4091(19) ?
    C31 C41 . 1.4080(19) ?
    C31 H31A . 0.9500 ?
    C41 C51 . 1.5637(19) ?
    C51 C111 . 1.536(2) ?
    C51 C101 . 1.541(2) ?
    C51 C91 . 1.542(2) ?
    C61 H61A . 0.9800 ?
    C61 H61B . 0.9800 ?
    C61 H61C . 0.9800 ?
    C71 H71A . 0.9800 ?
    C71 H71B . 0.9800 ?
    C71 H71C . 0.9800 ?
    C81 H81A . 0.9800 ?
    C81 H81B . 0.9800 ?
    C81 H81C . 0.9800 ?
    C91 H91A . 0.9800 ?
    C91 H91B . 0.9800 ?
    C91 H91C . 0.9800 ?
    C101 H10A . 0.9800 ?
    C101 H10B . 0.9800 ?
    C101 H10C . 0.9800 ?
    C111 H11A . 0.9800 ?
    C111 H11B . 0.9800 ?
    C111 H11C . 0.9800 ?
    C12 C62 . 1.4093(18) ?
    C12 C22 . 1.4114(19) ?
    C22 C32 . 1.392(2) ?
    C22 C72 . 1.5228(19) ?
    C32 C42 . 1.390(2) ?
    C32 H32A . 0.9500 ?
    C42 C52 . 1.3893(19) ?
    C42 C102 . 1.5171(19) ?
    C52 C62 . 1.3969(19) ?
    C52 H52A . 0.9500 ?
    C62 C132 . 1.5249(18) ?
    C72 C92 . 1.530(2) ?
    C72 C82 . 1.531(2) ?
    C72 H72A . 1.0000 ?
    C82 H82A . 0.9800 ?
    C82 H82B . 0.9800 ?
    C82 H82C . 0.9800 ?
    C92 H92A . 0.9800 ?
    C92 H92B . 0.9800 ?
    C92 H92C . 0.9800 ?
    C102 C112 . 1.526(2) ?
    C102 C122 . 1.529(2) ?
    C102 H10D . 1.0000 ?
    C112 H11D . 0.9800 ?
    C112 H11E . 0.9800 ?
    C112 H11F . 0.9800 ?
    C122 H12A . 0.9800 ?
    C122 H12B . 0.9800 ?
    C122 H12C . 0.9800 ?
    C132 C152 . 1.532(2) ?
    C132 C142 . 1.535(2) ?
    C132 H13A . 1.0000 ?
    C142 H14A . 0.9800 ?
    C142 H14B . 0.9800 ?
    C142 H14C . 0.9800 ?
    C152 H15A . 0.9800 ?
    C152 H15B . 0.9800 ?
    C152 H15C . 0.9800 ?
    C13 C23 . 1.4025(19) ?
    C13 C63 . 1.4106(19) ?
    C23 C33 . 1.398(2) ?
    C23 C73 . 1.520(2) ?
    C33 C43 . 1.392(2) ?
    C33 H33A . 0.9500 ?
    C43 C53 . 1.379(2) ?
    C43 C10" . 1.539(7) ?
    C43 C10' . 1.542(6) ?
    C43 C103 . 1.545(4) ?
    C53 C63 . 1.395(2) ?
    C53 H53A . 0.9500 ?
    C63 C133 . 1.518(2) ?
    C73 C83 . 1.528(2) ?
    C73 C93 . 1.533(2) ?
    C73 H73A . 1.0000 ?
    C83 H83A . 0.9800 ?
    C83 H83B . 0.9800 ?
    C83 H83C . 0.9800 ?
    C93 H93A . 0.9800 ?
    C93 H93B . 0.9800 ?
    C93 H93C . 0.9800 ?
    C103 C123 . 1.522(5) ?
    C103 C113 . 1.529(6) ?
    C103 H10E . 1.0000 ?
    C113 H11G . 0.9800 ?
    C113 H11H . 0.9800 ?
    C113 H11I . 0.9800 ?
    C123 H12D . 0.9800 ?
    C123 H12E . 0.9800 ?
    C123 H12F . 0.9800 ?
    C10' C11' . 1.524(8) ?
    C10' C12' . 1.546(6) ?
    C10' H10K . 1.0000 ?
    C11' H11S . 0.9800 ?
    C11' H11T . 0.9800 ?
    C11' H11U . 0.9800 ?
    C12' H12M . 0.9800 ?
    C12' H12N . 0.9800 ?
    C12' H12O . 0.9800 ?
    C10" C12" . 1.523(7) ?
    C10" C11" . 1.524(8) ?
    C10" H10L . 1.0000 ?
    C11" H11V . 0.9800 ?
    C11" H11W . 0.9800 ?
    C11" H11X . 0.9800 ?
    C12" H12P . 0.9800 ?
    C12" H12Q . 0.9800 ?
    C12" H12R . 0.9800 ?
    C133 C143 . 1.534(2) ?
    C133 C153 . 1.536(2) ?
    C133 H13B . 1.0000 ?
    C143 H14D . 0.9800 ?
    C143 H14E . 0.9800 ?
    C143 H14F . 0.9800 ?
    C153 H15D . 0.9800 ?
    C153 H15E . 0.9800 ?
    C153 H15F . 0.9800 ?
    N14 C24 . 1.3440(17) ?
    N14 C15 . 1.4397(16) ?
    N24 C44 . 1.3286(17) ?
    N24 C16 . 1.4413(17) ?
    C14 C64 . 1.533(3) ?
    C14 C74 . 1.538(3) ?
    C14 C84 . 1.548(3) ?
    C14 C24 . 1.563(2) ?
    C14' C74' . 1.544(7) ?
    C14' C64' . 1.546(7) ?
    C14' C84' . 1.547(7) ?
    C14' C24 . 1.575(8) ?
    C24 C34 . 1.4012(18) ?
    C34 C44 . 1.4110(19) ?
    C34 H34A . 0.9500 ?
    C44 C54 . 1.5560(18) ?
    C54 C114 . 1.5343(19) ?
    C54 C94 . 1.540(2) ?
    C54 C104 . 1.5429(19) ?
    C64 H64A . 0.9800 ?
    C64 H64B . 0.9800 ?
    C64 H64C . 0.9800 ?
    C74 H74A . 0.9800 ?
    C74 H74B . 0.9800 ?
    C74 H74C . 0.9800 ?
    C84 H84A . 0.9800 ?
    C84 H84B . 0.9800 ?
    C84 H84C . 0.9800 ?
    C64' H64D . 0.9800 ?
    C64' H64E . 0.9800 ?
    C64' H64F . 0.9800 ?
    C74' H74D . 0.9800 ?
    C74' H74E . 0.9800 ?
    C74' H74F . 0.9800 ?
    C84' H84D . 0.9800 ?
    C84' H84E . 0.9800 ?
    C84' H84F . 0.9800 ?
    C94 H94A . 0.9800 ?
    C94 H94B . 0.9800 ?
    C94 H94C . 0.9800 ?
    C104 H10F . 0.9800 ?
    C104 H10G . 0.9800 ?
    C104 H10H . 0.9800 ?
    C114 H11J . 0.9800 ?
    C114 H11K . 0.9800 ?
    C114 H11L . 0.9800 ?
    C15 C25 . 1.4016(19) ?
    C15 C65 . 1.4037(19) ?
    C25 C35 . 1.3989(19) ?
    C25 C75 . 1.520(2) ?
    C35 C45 . 1.382(2) ?
    C35 H35A . 0.9500 ?
    C45 C55 . 1.3937(19) ?
    C45 C105 . 1.5171(19) ?
    C55 C65 . 1.3866(19) ?
    C55 H55A . 0.9500 ?
    C65 C13" . 1.523(5) ?
    C65 C135 . 1.528(6) ?
    C75 C95 . 1.530(3) ?
    C75 C85 . 1.532(3) ?
    C75 H75A . 1.0000 ?
    C85 H85A . 0.9800 ?
    C85 H85B . 0.9800 ?
    C85 H85C . 0.9800 ?
    C95 H95A . 0.9800 ?
    C95 H95B . 0.9800 ?
    C95 H95C . 0.9800 ?
    C105 C125 . 1.522(2) ?
    C105 C115 . 1.534(2) ?
    C105 H10I . 1.0000 ?
    C115 H11M . 0.9800 ?
    C115 H11N . 0.9800 ?
    C115 H11O . 0.9800 ?
    C125 H12G . 0.9800 ?
    C125 H12H . 0.9800 ?
    C125 H12I . 0.9800 ?
    C135 C155 . 1.523(6) ?
    C135 C145 . 1.531(6) ?
    C135 H13C . 1.0000 ?
    C145 H14G . 0.9800 ?
    C145 H14H . 0.9800 ?
    C145 H14I . 0.9800 ?
    C155 H15G . 0.9800 ?
    C155 H15H . 0.9800 ?
    C155 H15I . 0.9800 ?
    C13" C15" . 1.526(5) ?
    C13" C14" . 1.532(6) ?
    C13" H13D . 1.0000 ?
    C14" H14J . 0.9800 ?
    C14" H14K . 0.9800 ?
    C14" H14L . 0.9800 ?
    C15" H15J . 0.9800 ?
    C15" H15K . 0.9800 ?
    C15" H15L . 0.9800 ?
    C16 C26 . 1.4038(19) ?
    C16 C66 . 1.4066(19) ?
    C26 C36 . 1.3904(19) ?
    C26 C76 . 1.520(2) ?
    C36 C46 . 1.384(2) ?
    C36 H36A . 0.9500 ?
    C46 C56 . 1.392(2) ?
    C46 C106 . 1.517(2) ?
    C56 C66 . 1.3906(19) ?
    C56 H56A . 0.9500 ?
    C66 C136 . 1.5236(19) ?
    C76 C96 . 1.527(2) ?
    C76 C86 . 1.528(2) ?
    C76 H76A . 1.0000 ?
    C86 H86A . 0.9800 ?
    C86 H86B . 0.9800 ?
    C86 H86C . 0.9800 ?
    C96 H96A . 0.9800 ?
    C96 H96B . 0.9800 ?
    C96 H96C . 0.9800 ?
    C106 C116 . 1.516(2) ?
    C106 C126 . 1.528(2) ?
    C106 H10J . 1.0000 ?
    C116 H11P . 0.9800 ?
    C116 H11Q . 0.9800 ?
    C116 H11R . 0.9800 ?
    C126 H12J . 0.9800 ?
    C126 H12K . 0.9800 ?
    C126 H12L . 0.9800 ?
    C136 C146 . 1.533(2) ?
    C136 C156 . 1.534(2) ?
    C136 H13E . 1.0000 ?
    C146 H14M . 0.9800 ?
    C146 H14N . 0.9800 ?
    C146 H14O . 0.9800 ?
    C156 H15M . 0.9800 ?
    C156 H15N . 0.9800 ?
    C156 H15O . 0.9800 ?
    C17 C27 . 1.504(6) ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    C27 C77 . 1.395(7) ?
    C27 C37 . 1.396(6) ?
    C37 C47 . 1.362(7) ?
    C37 H37 . 0.9500 ?
    C47 C57 . 1.382(7) ?
    C47 H47 . 0.9500 ?
    C57 C67 . 1.360(8) ?
    C57 H57 . 0.9500 ?
    C67 C77 . 1.385(8) ?
    C67 H67 . 0.9500 ?
    C77 H77 . 0.9500 ?
    C17' C27' . 1.498(8) ?
    C17' H17D . 0.9800 ?
    C17' H17E . 0.9800 ?
    C17' H17F . 0.9800 ?
    C27' C37' . 1.384(10) ?
    C27' C77' . 1.403(8) ?
    C37' C47' . 1.360(10) ?
    C37' H37' . 0.9500 ?
    C47' C57' . 1.384(9) ?
    C47' H47' . 0.9500 ?
    C57' C67' . 1.357(10) ?
    C57' H57' . 0.9500 ?
    C67' C77' . 1.379(10) ?
    C67' H67' . 0.9500 ?
    C77' H77' . 0.9500 ?
    C18 C28 . 1.47(2) ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C18 H18C . 0.9800 ?
    C28 C78 . 1.363(15) ?
    C28 C38 . 1.367(16) ?
    C38 C48 . 1.39(3) ?
    C38 H38 . 0.9500 ?
    C48 C58 . 1.378(15) ?
    C48 H48 . 0.9500 ?
    C58 C68 . 1.385(16) ?
    C58 H58 . 0.9500 ?
    C68 C78 . 1.42(3) ?
    C68 H68 . 0.9500 ?
    C78 H78 . 0.9500 ?
    C19 C29 . 1.558(18) ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C29 C79 . 1.355(11) ?
    C29 C39 . 1.362(12) ?
    C39 C49 . 1.343(12) ?
    C39 H39 . 0.9500 ?
    C49 C59 . 1.371(12) ?
    C49 H49 . 0.9500 ?
    C59 C69 . 1.368(12) ?
    C59 H59 . 0.9500 ?
    C69 C79 . 1.337(12) ?
    C69 H69 . 0.9500 ?
    C79 H79 . 0.9500 ?
    C19' C29' . 1.57(2) ?
    C19' H19D . 0.9800 ?
    C19' H19E . 0.9800 ?
    C19' H19F . 0.9800 ?
    C29' C39' . 1.349(13) ?
    C29' C79' . 1.361(13) ?
    C39' C49' . 1.363(14) ?
    C39' H39' . 0.9500 ?
    C49' C59' . 1.351(14) ?
    C49' H49' . 0.9500 ?
    C59' C69' . 1.363(14) ?
    C59' H59' . 0.9500 ?
    C69' C79' . 1.345(13) ?
    C69' H69' . 0.9500 ?
    C79' H79' . 0.9500 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N11 Fe1 N21 . . 97.44(4) y
    N11 Fe1 O2 . . 126.06(5) y
    N21 Fe1 O2 . . 118.41(5) y
    N11 Fe1 O1 . . 125.21(4) y
    N21 Fe1 O1 . . 125.81(4) y
    O2 Fe1 O1 . . 64.41(4) y
    O3 Fe2 N14 . . 152.19(5) y
    O3 Fe2 N24 . . 111.46(5) y
    N14 Fe2 N24 . . 96.34(5) y
    O1 C1 O2 . . 118.19(12) y
    O1 C1 O3 . . 122.12(13) y
    O2 C1 O3 . . 119.68(13) y
    C1 O1 Fe1 . . 87.85(8) y
    C1 O2 Fe1 . . 89.54(8) y
    C1 O3 Fe2 . . 138.24(11) y
    C21 N11 C12 . . 128.05(11) ?
    C21 N11 Fe1 . . 123.30(9) y
    C12 N11 Fe1 . . 108.05(8) y
    C41 N21 C13 . . 126.17(11) ?
    C41 N21 Fe1 . . 123.05(9) y
    C13 N21 Fe1 . . 110.10(8) y
    C61 C11 C81 . . 106.25(13) ?
    C61 C11 C71 . . 107.21(13) ?
    C81 C11 C71 . . 108.70(13) ?
    C61 C11 C21 . . 116.66(12) ?
    C81 C11 C21 . . 108.52(12) ?
    C71 C11 C21 . . 109.25(12) ?
    N11 C21 C31 . . 120.91(12) ?
    N11 C21 C11 . . 125.96(12) ?
    C31 C21 C11 . . 113.12(12) ?
    C41 C31 C21 . . 133.97(12) ?
    C41 C31 H31A . . 113.0 ?
    C21 C31 H31A . . 113.0 ?
    N21 C41 C31 . . 121.26(12) ?
    N21 C41 C51 . . 125.63(12) ?
    C31 C41 C51 . . 113.07(11) ?
    C111 C51 C101 . . 106.76(13) ?
    C111 C51 C91 . . 106.34(12) ?
    C101 C51 C91 . . 109.55(13) ?
    C111 C51 C41 . . 117.39(11) ?
    C101 C51 C41 . . 107.24(11) ?
    C91 C51 C41 . . 109.39(12) ?
    C11 C61 H61A . . 109.5 ?
    C11 C61 H61B . . 109.5 ?
    H61A C61 H61B . . 109.5 ?
    C11 C61 H61C . . 109.5 ?
    H61A C61 H61C . . 109.5 ?
    H61B C61 H61C . . 109.5 ?
    C11 C71 H71A . . 109.5 ?
    C11 C71 H71B . . 109.5 ?
    H71A C71 H71B . . 109.5 ?
    C11 C71 H71C . . 109.5 ?
    H71A C71 H71C . . 109.5 ?
    H71B C71 H71C . . 109.5 ?
    C11 C81 H81A . . 109.5 ?
    C11 C81 H81B . . 109.5 ?
    H81A C81 H81B . . 109.5 ?
    C11 C81 H81C . . 109.5 ?
    H81A C81 H81C . . 109.5 ?
    H81B C81 H81C . . 109.5 ?
    C51 C91 H91A . . 109.5 ?
    C51 C91 H91B . . 109.5 ?
    H91A C91 H91B . . 109.5 ?
    C51 C91 H91C . . 109.5 ?
    H91A C91 H91C . . 109.5 ?
    H91B C91 H91C . . 109.5 ?
    C51 C101 H10A . . 109.5 ?
    C51 C101 H10B . . 109.5 ?
    H10A C101 H10B . . 109.5 ?
    C51 C101 H10C . . 109.5 ?
    H10A C101 H10C . . 109.5 ?
    H10B C101 H10C . . 109.5 ?
    C51 C111 H11A . . 109.5 ?
    C51 C111 H11B . . 109.5 ?
    H11A C111 H11B . . 109.5 ?
    C51 C111 H11C . . 109.5 ?
    H11A C111 H11C . . 109.5 ?
    H11B C111 H11C . . 109.5 ?
    C62 C12 C22 . . 120.00(12) ?
    C62 C12 N11 . . 120.04(12) ?
    C22 C12 N11 . . 119.40(12) ?
    C32 C22 C12 . . 118.54(12) ?
    C32 C22 C72 . . 119.34(13) ?
    C12 C22 C72 . . 122.05(13) ?
    C42 C32 C22 . . 122.79(13) ?
    C42 C32 H32A . . 118.6 ?
    C22 C32 H32A . . 118.6 ?
    C52 C42 C32 . . 117.45(13) ?
    C52 C42 C102 . . 122.92(12) ?
    C32 C42 C102 . . 119.63(12) ?
    C42 C52 C62 . . 122.52(13) ?
    C42 C52 H52A . . 118.7 ?
    C62 C52 H52A . . 118.7 ?
    C52 C62 C12 . . 118.64(12) ?
    C52 C62 C132 . . 118.49(12) ?
    C12 C62 C132 . . 122.87(12) ?
    C22 C72 C92 . . 109.55(14) ?
    C22 C72 C82 . . 113.42(13) ?
    C92 C72 C82 . . 109.76(14) ?
    C22 C72 H72A . . 108.0 ?
    C92 C72 H72A . . 108.0 ?
    C82 C72 H72A . . 108.0 ?
    C72 C82 H82A . . 109.5 ?
    C72 C82 H82B . . 109.5 ?
    H82A C82 H82B . . 109.5 ?
    C72 C82 H82C . . 109.5 ?
    H82A C82 H82C . . 109.5 ?
    H82B C82 H82C . . 109.5 ?
    C72 C92 H92A . . 109.5 ?
    C72 C92 H92B . . 109.5 ?
    H92A C92 H92B . . 109.5 ?
    C72 C92 H92C . . 109.5 ?
    H92A C92 H92C . . 109.5 ?
    H92B C92 H92C . . 109.5 ?
    C42 C102 C112 . . 111.23(12) ?
    C42 C102 C122 . . 113.90(12) ?
    C112 C102 C122 . . 110.21(13) ?
    C42 C102 H10D . . 107.0 ?
    C112 C102 H10D . . 107.0 ?
    C122 C102 H10D . . 107.0 ?
    C102 C112 H11D . . 109.5 ?
    C102 C112 H11E . . 109.5 ?
    H11D C112 H11E . . 109.5 ?
    C102 C112 H11F . . 109.5 ?
    H11D C112 H11F . . 109.5 ?
    H11E C112 H11F . . 109.5 ?
    C102 C122 H12A . . 109.5 ?
    C102 C122 H12B . . 109.5 ?
    H12A C122 H12B . . 109.5 ?
    C102 C122 H12C . . 109.5 ?
    H12A C122 H12C . . 109.5 ?
    H12B C122 H12C . . 109.5 ?
    C62 C132 C152 . . 111.88(12) ?
    C62 C132 C142 . . 111.62(11) ?
    C152 C132 C142 . . 109.54(12) ?
    C62 C132 H13A . . 107.9 ?
    C152 C132 H13A . . 107.9 ?
    C142 C132 H13A . . 107.9 ?
    C132 C142 H14A . . 109.5 ?
    C132 C142 H14B . . 109.5 ?
    H14A C142 H14B . . 109.5 ?
    C132 C142 H14C . . 109.5 ?
    H14A C142 H14C . . 109.5 ?
    H14B C142 H14C . . 109.5 ?
    C132 C152 H15A . . 109.5 ?
    C132 C152 H15B . . 109.5 ?
    H15A C152 H15B . . 109.5 ?
    C132 C152 H15C . . 109.5 ?
    H15A C152 H15C . . 109.5 ?
    H15B C152 H15C . . 109.5 ?
    C23 C13 C63 . . 120.28(12) ?
    C23 C13 N21 . . 118.92(12) ?
    C63 C13 N21 . . 120.54(12) ?
    C33 C23 C13 . . 118.65(14) ?
    C33 C23 C73 . . 118.84(13) ?
    C13 C23 C73 . . 122.50(13) ?
    C43 C33 C23 . . 122.26(14) ?
    C43 C33 H33A . . 118.9 ?
    C23 C33 H33A . . 118.9 ?
    C53 C43 C33 . . 117.40(14) ?
    C53 C43 C10" . . 114.4(7) ?
    C33 C43 C10" . . 128.2(7) ?
    C53 C43 C10' . . 131.8(3) ?
    C33 C43 C10' . . 109.5(3) ?
    C53 C43 C103 . . 117.8(3) ?
    C33 C43 C103 . . 124.7(3) ?
    C43 C53 C63 . . 123.25(15) ?
    C43 C53 H53A . . 118.4 ?
    C63 C53 H53A . . 118.4 ?
    C53 C63 C13 . . 117.94(14) ?
    C53 C63 C133 . . 118.67(13) ?
    C13 C63 C133 . . 123.37(13) ?
    C23 C73 C83 . . 110.03(14) ?
    C23 C73 C93 . . 112.44(14) ?
    C83 C73 C93 . . 110.18(13) ?
    C23 C73 H73A . . 108.0 ?
    C83 C73 H73A . . 108.0 ?
    C93 C73 H73A . . 108.0 ?
    C73 C83 H83A . . 109.5 ?
    C73 C83 H83B . . 109.5 ?
    H83A C83 H83B . . 109.5 ?
    C73 C83 H83C . . 109.5 ?
    H83A C83 H83C . . 109.5 ?
    H83B C83 H83C . . 109.5 ?
    C73 C93 H93A . . 109.5 ?
    C73 C93 H93B . . 109.5 ?
    H93A C93 H93B . . 109.5 ?
    C73 C93 H93C . . 109.5 ?
    H93A C93 H93C . . 109.5 ?
    H93B C93 H93C . . 109.5 ?
    C123 C103 C113 . . 110.2(8) ?
    C123 C103 C43 . . 114.3(4) ?
    C113 C103 C43 . . 108.3(7) ?
    C123 C103 H10E . . 107.9 ?
    C113 C103 H10E . . 107.9 ?
    C43 C103 H10E . . 107.9 ?
    C11' C10' C43 . . 115.3(15) ?
    C11' C10' C12' . . 109.0(10) ?
    C43 C10' C12' . . 97.7(4) ?
    C11' C10' H10K . . 111.4 ?
    C43 C10' H10K . . 111.4 ?
    C12' C10' H10K . . 111.4 ?
    C12" C10" C11" . . 110.6(10) ?
    C12" C10" C43 . . 107.8(8) ?
    C11" C10" C43 . . 107.4(9) ?
    C12" C10" H10L . . 110.3 ?
    C11" C10" H10L . . 110.3 ?
    C43 C10" H10L . . 110.3 ?
    C63 C133 C143 . . 111.34(14) ?
    C63 C133 C153 . . 112.20(13) ?
    C143 C133 C153 . . 109.41(14) ?
    C63 C133 H13B . . 107.9 ?
    C143 C133 H13B . . 107.9 ?
    C153 C133 H13B . . 107.9 ?
    C133 C143 H14D . . 109.5 ?
    C133 C143 H14E . . 109.5 ?
    H14D C143 H14E . . 109.5 ?
    C133 C143 H14F . . 109.5 ?
    H14D C143 H14F . . 109.5 ?
    H14E C143 H14F . . 109.5 ?
    C133 C153 H15D . . 109.5 ?
    C133 C153 H15E . . 109.5 ?
    H15D C153 H15E . . 109.5 ?
    C133 C153 H15F . . 109.5 ?
    H15D C153 H15F . . 109.5 ?
    H15E C153 H15F . . 109.5 ?
    C24 N14 C15 . . 126.02(11) ?
    C24 N14 Fe2 . . 124.38(9) y
    C15 N14 Fe2 . . 109.48(8) y
    C44 N24 C16 . . 128.77(11) ?
    C44 N24 Fe2 . . 124.31(9) y
    C16 N24 Fe2 . . 106.86(8) y
    C64 C14 C74 . . 105.56(16) ?
    C64 C14 C84 . . 107.20(16) ?
    C74 C14 C84 . . 108.83(17) ?
    C64 C14 C24 . . 118.67(16) ?
    C74 C14 C24 . . 108.88(15) ?
    C84 C14 C24 . . 107.39(15) ?
    C74' C14' C64' . . 106.6(7) ?
    C74' C14' C84' . . 108.2(7) ?
    C64' C14' C84' . . 106.3(7) ?
    C74' C14' C24 . . 113.8(7) ?
    C64' C14' C24 . . 116.0(7) ?
    C84' C14' C24 . . 105.5(7) ?
    N14 C24 C34 . . 121.24(12) ?
    N14 C24 C14 . . 124.57(13) ?
    C34 C24 C14 . . 114.16(13) ?
    N14 C24 C14' . . 125.5(4) ?
    C34 C24 C14' . . 112.6(4) ?
    C24 C34 C44 . . 132.91(12) ?
    C24 C34 H34A . . 113.5 ?
    C44 C34 H34A . . 113.5 ?
    N24 C44 C34 . . 120.69(12) ?
    N24 C44 C54 . . 125.52(12) ?
    C34 C44 C54 . . 113.78(11) ?
    C114 C54 C94 . . 106.60(11) ?
    C114 C54 C104 . . 106.52(11) ?
    C94 C54 C104 . . 110.11(11) ?
    C114 C54 C44 . . 116.52(11) ?
    C94 C54 C44 . . 109.35(11) ?
    C104 C54 C44 . . 107.65(11) ?
    C14' C64' H64D . . 109.5 ?
    C14' C64' H64E . . 109.5 ?
    H64D C64' H64E . . 109.5 ?
    C14' C64' H64F . . 109.5 ?
    H64D C64' H64F . . 109.5 ?
    H64E C64' H64F . . 109.5 ?
    C14' C74' H74D . . 110.8 ?
    C14' C74' H74E . . 106.1 ?
    H74D C74' H74E . . 109.5 ?
    C14' C74' H74F . . 111.4 ?
    H74D C74' H74F . . 109.5 ?
    H74E C74' H74F . . 109.5 ?
    C14' C84' H84D . . 109.5 ?
    C14' C84' H84E . . 109.5 ?
    H84D C84' H84E . . 109.5 ?
    C14' C84' H84F . . 109.5 ?
    H84D C84' H84F . . 109.5 ?
    H84E C84' H84F . . 109.5 ?
    C54 C94 H94A . . 109.5 ?
    C54 C94 H94B . . 109.5 ?
    H94A C94 H94B . . 109.5 ?
    C54 C94 H94C . . 109.5 ?
    H94A C94 H94C . . 109.5 ?
    H94B C94 H94C . . 109.5 ?
    C54 C104 H10F . . 109.5 ?
    C54 C104 H10G . . 109.5 ?
    H10F C104 H10G . . 109.5 ?
    C54 C104 H10H . . 109.5 ?
    H10F C104 H10H . . 109.5 ?
    H10G C104 H10H . . 109.5 ?
    C54 C114 H11J . . 109.5 ?
    C54 C114 H11K . . 109.5 ?
    H11J C114 H11K . . 109.5 ?
    C54 C114 H11L . . 109.5 ?
    H11J C114 H11L . . 109.5 ?
    H11K C114 H11L . . 109.5 ?
    C25 C15 C65 . . 120.32(12) ?
    C25 C15 N14 . . 119.89(12) ?
    C65 C15 N14 . . 119.52(12) ?
    C35 C25 C15 . . 118.48(13) ?
    C35 C25 C75 . . 119.50(13) ?
    C15 C25 C75 . . 122.02(13) ?
    C45 C35 C25 . . 122.44(13) ?
    C45 C35 H35A . . 118.8 ?
    C25 C35 H35A . . 118.8 ?
    C35 C45 C55 . . 117.33(12) ?
    C35 C45 C105 . . 123.88(13) ?
    C55 C45 C105 . . 118.80(13) ?
    C65 C55 C45 . . 122.73(13) ?
    C65 C55 H55A . . 118.6 ?
    C45 C55 H55A . . 118.6 ?
    C55 C65 C15 . . 118.44(12) ?
    C55 C65 C13" . . 121.4(4) ?
    C15 C65 C13" . . 119.8(4) ?
    C55 C65 C135 . . 119.3(5) ?
    C15 C65 C135 . . 121.7(5) ?
    C25 C75 C95 . . 112.83(14) ?
    C25 C75 C85 . . 110.00(15) ?
    C95 C75 C85 . . 110.37(14) ?
    C25 C75 H75A . . 107.8 ?
    C95 C75 H75A . . 107.8 ?
    C85 C75 H75A . . 107.8 ?
    C75 C85 H85A . . 109.5 ?
    C75 C85 H85B . . 109.5 ?
    H85A C85 H85B . . 109.5 ?
    C75 C85 H85C . . 109.5 ?
    H85A C85 H85C . . 109.5 ?
    H85B C85 H85C . . 109.5 ?
    C75 C95 H95A . . 109.5 ?
    C75 C95 H95B . . 109.5 ?
    H95A C95 H95B . . 109.5 ?
    C75 C95 H95C . . 109.5 ?
    H95A C95 H95C . . 109.5 ?
    H95B C95 H95C . . 109.5 ?
    C45 C105 C125 . . 114.40(13) ?
    C45 C105 C115 . . 110.21(12) ?
    C125 C105 C115 . . 109.71(12) ?
    C45 C105 H10I . . 107.4 ?
    C125 C105 H10I . . 107.4 ?
    C115 C105 H10I . . 107.4 ?
    C105 C115 H11M . . 109.5 ?
    C105 C115 H11N . . 109.5 ?
    H11M C115 H11N . . 109.5 ?
    C105 C115 H11O . . 109.5 ?
    H11M C115 H11O . . 109.5 ?
    H11N C115 H11O . . 109.5 ?
    C105 C125 H12G . . 109.5 ?
    C105 C125 H12H . . 109.5 ?
    H12G C125 H12H . . 109.5 ?
    C105 C125 H12I . . 109.5 ?
    H12G C125 H12I . . 109.5 ?
    H12H C125 H12I . . 109.5 ?
    C155 C135 C65 . . 106.6(6) ?
    C155 C135 C145 . . 111.3(6) ?
    C65 C135 C145 . . 116.4(6) ?
    C155 C135 H13C . . 107.4 ?
    C65 C135 H13C . . 107.4 ?
    C145 C135 H13C . . 107.4 ?
    C65 C13" C15" . . 112.9(5) ?
    C65 C13" C14" . . 111.0(5) ?
    C15" C13" C14" . . 110.5(5) ?
    C65 C13" H13D . . 107.4 ?
    C15" C13" H13D . . 107.4 ?
    C14" C13" H13D . . 107.4 ?
    C26 C16 C66 . . 120.59(12) ?
    C26 C16 N24 . . 119.12(12) ?
    C66 C16 N24 . . 119.40(12) ?
    C36 C26 C16 . . 118.52(13) ?
    C36 C26 C76 . . 119.33(12) ?
    C16 C26 C76 . . 122.10(12) ?
    C46 C36 C26 . . 122.45(13) ?
    C46 C36 H36A . . 118.8 ?
    C26 C36 H36A . . 118.8 ?
    C36 C46 C56 . . 117.70(13) ?
    C36 C46 C106 . . 120.89(13) ?
    C56 C46 C106 . . 121.34(13) ?
    C66 C56 C46 . . 122.51(13) ?
    C66 C56 H56A . . 118.7 ?
    C46 C56 H56A . . 118.7 ?
    C56 C66 C16 . . 118.21(13) ?
    C56 C66 C136 . . 119.15(13) ?
    C16 C66 C136 . . 122.61(12) ?
    C26 C76 C96 . . 110.42(13) ?
    C26 C76 C86 . . 112.48(12) ?
    C96 C76 C86 . . 110.03(13) ?
    C26 C76 H76A . . 107.9 ?
    C96 C76 H76A . . 107.9 ?
    C86 C76 H76A . . 107.9 ?
    C76 C86 H86A . . 109.5 ?
    C76 C86 H86B . . 109.5 ?
    H86A C86 H86B . . 109.5 ?
    C76 C86 H86C . . 109.5 ?
    H86A C86 H86C . . 109.5 ?
    H86B C86 H86C . . 109.5 ?
    C76 C96 H96A . . 109.5 ?
    C76 C96 H96B . . 109.5 ?
    H96A C96 H96B . . 109.5 ?
    C76 C96 H96C . . 109.5 ?
    H96A C96 H96C . . 109.5 ?
    H96B C96 H96C . . 109.5 ?
    C116 C106 C46 . . 112.75(13) ?
    C116 C106 C126 . . 111.38(13) ?
    C46 C106 C126 . . 110.30(12) ?
    C116 C106 H10J . . 107.4 ?
    C46 C106 H10J . . 107.4 ?
    C126 C106 H10J . . 107.4 ?
    C106 C116 H11P . . 109.5 ?
    C106 C116 H11Q . . 109.5 ?
    H11P C116 H11Q . . 109.5 ?
    C106 C116 H11R . . 109.5 ?
    H11P C116 H11R . . 109.5 ?
    H11Q C116 H11R . . 109.5 ?
    C106 C126 H12J . . 109.5 ?
    C106 C126 H12K . . 109.5 ?
    H12J C126 H12K . . 109.5 ?
    C106 C126 H12L . . 109.5 ?
    H12J C126 H12L . . 109.5 ?
    H12K C126 H12L . . 109.5 ?
    C66 C136 C146 . . 111.70(12) ?
    C66 C136 C156 . . 110.26(12) ?
    C146 C136 C156 . . 110.14(13) ?
    C66 C136 H13E . . 108.2 ?
    C146 C136 H13E . . 108.2 ?
    C156 C136 H13E . . 108.2 ?
    C136 C146 H14M . . 109.5 ?
    C136 C146 H14N . . 109.5 ?
    H14M C146 H14N . . 109.5 ?
    C136 C146 H14O . . 109.5 ?
    H14M C146 H14O . . 109.5 ?
    H14N C146 H14O . . 109.5 ?
    C136 C156 H15M . . 109.5 ?
    C136 C156 H15N . . 109.5 ?
    H15M C156 H15N . . 109.5 ?
    C136 C156 H15O . . 109.5 ?
    H15M C156 H15O . . 109.5 ?
    H15N C156 H15O . . 109.5 ?
    C77 C27 C37 . . 116.7(5) ?
    C77 C27 C17 . . 122.6(5) ?
    C37 C27 C17 . . 120.6(4) ?
    C47 C37 C27 . . 121.0(5) ?
    C47 C37 H37 . . 119.5 ?
    C27 C37 H37 . . 119.5 ?
    C37 C47 C57 . . 121.7(6) ?
    C37 C47 H47 . . 119.2 ?
    C57 C47 H47 . . 119.2 ?
    C67 C57 C47 . . 118.3(5) ?
    C67 C57 H57 . . 120.9 ?
    C47 C57 H57 . . 120.9 ?
    C57 C67 C77 . . 121.0(5) ?
    C57 C67 H67 . . 119.5 ?
    C77 C67 H67 . . 119.5 ?
    C67 C77 C27 . . 121.1(6) ?
    C67 C77 H77 . . 119.5 ?
    C27 C77 H77 . . 119.5 ?
    C37' C27' C77' . . 116.1(7) ?
    C37' C27' C17' . . 121.9(7) ?
    C77' C27' C17' . . 122.1(7) ?
    C47' C37' C27' . . 123.3(8) ?
    C47' C37' H37' . . 118.4 ?
    C27' C37' H37' . . 118.4 ?
    C37' C47' C57' . . 119.6(8) ?
    C37' C47' H47' . . 120.2 ?
    C57' C47' H47' . . 120.2 ?
    C67' C57' C47' . . 119.0(9) ?
    C67' C57' H57' . . 120.5 ?
    C47' C57' H57' . . 120.5 ?
    C57' C67' C77' . . 121.5(8) ?
    C57' C67' H67' . . 119.3 ?
    C77' C67' H67' . . 119.3 ?
    C67' C77' C27' . . 120.6(9) ?
    C67' C77' H77' . . 119.7 ?
    C27' C77' H77' . . 119.7 ?
    C78 C28 C38 . . 121.2(19) ?
    C78 C28 C18 . . 119.4(11) ?
    C38 C28 C18 . . 119.4(11) ?
    C28 C38 C48 . . 119.7(12) ?
    C28 C38 H38 . . 120.1 ?
    C48 C38 H38 . . 120.1 ?
    C58 C48 C38 . . 120.7(11) ?
    C58 C48 H48 . . 119.6 ?
    C38 C48 H48 . . 119.6 ?
    C48 C58 C68 . . 119.2(17) ?
    C48 C58 H58 . . 120.4 ?
    C68 C58 H58 . . 120.4 ?
    C58 C68 C78 . . 119.9(10) ?
    C58 C68 H68 . . 120.0 ?
    C78 C68 H68 . . 120.0 ?
    C28 C78 C68 . . 119.3(12) ?
    C28 C78 H78 . . 120.4 ?
    C68 C78 H78 . . 120.4 ?
    C29 C19 H19A . . 109.5 ?
    C29 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C29 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    C79 C29 C39 . . 119.6(10) ?
    C79 C29 C19 . . 118.6(11) ?
    C39 C29 C19 . . 121.8(10) ?
    C49 C39 C29 . . 119.4(11) ?
    C49 C39 H39 . . 120.3 ?
    C29 C39 H39 . . 120.3 ?
    C39 C49 C59 . . 121.4(12) ?
    C39 C49 H49 . . 119.3 ?
    C59 C49 H49 . . 119.3 ?
    C69 C59 C49 . . 118.4(10) ?
    C69 C59 H59 . . 120.8 ?
    C49 C59 H59 . . 120.8 ?
    C79 C69 C59 . . 120.1(11) ?
    C79 C69 H69 . . 120.0 ?
    C59 C69 H69 . . 120.0 ?
    C69 C79 C29 . . 121.2(12) ?
    C69 C79 H79 . . 119.4 ?
    C29 C79 H79 . . 119.4 ?
    C29' C19' H19D . . 109.5 ?
    C29' C19' H19E . . 109.5 ?
    H19D C19' H19E . . 109.5 ?
    C29' C19' H19F . . 109.5 ?
    H19D C19' H19F . . 109.5 ?
    H19E C19' H19F . . 109.5 ?
    C39' C29' C79' . . 121.5(14) ?
    C39' C29' C19' . . 122.9(15) ?
    C79' C29' C19' . . 115.6(16) ?
    C29' C39' C49' . . 118.6(16) ?
    C29' C39' H39' . . 120.7 ?
    C49' C39' H39' . . 120.7 ?
    C59' C49' C39' . . 119.8(16) ?
    C59' C49' H49' . . 120.1 ?
    C39' C49' H49' . . 120.1 ?
    C49' C59' C69' . . 121.4(16) ?
    C49' C59' H59' . . 119.3 ?
    C69' C59' H59' . . 119.3 ?
    C79' C69' C59' . . 118.6(16) ?
    C79' C69' H69' . . 120.7 ?
    C59' C69' H69' . . 120.7 ?
    C69' C79' C29' . . 120.1(16) ?
    C69' C79' H79' . . 120.0 ?
    C29' C79' H79' . . 120.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O2 C1 O1 Fe1 . . . . 0.18(14) ?
    O3 C1 O1 Fe1 . . . . -179.88(14) ?
    N11 Fe1 O1 C1 . . . . -117.55(9) ?
    N21 Fe1 O1 C1 . . . . 107.64(9) ?
    O2 Fe1 O1 C1 . . . . -0.11(8) ?
    O1 C1 O2 Fe1 . . . . -0.19(14) ?
    O3 C1 O2 Fe1 . . . . 179.87(13) ?
    N11 Fe1 O2 C1 . . . . 116.35(9) ?
    N21 Fe1 O2 C1 . . . . -118.48(9) ?
    O1 Fe1 O2 C1 . . . . 0.11(8) ?
    O1 C1 O3 Fe2 . . . . 3.2(3) ?
    O2 C1 O3 Fe2 . . . . -176.89(12) ?
    N14 Fe2 O3 C1 . . . . 1.4(3) ?
    N24 Fe2 O3 C1 . . . . -179.72(16) ?
    N21 Fe1 N11 C21 . . . . -0.46(11) ?
    O2 Fe1 N11 C21 . . . . 133.06(10) ?
    O1 Fe1 N11 C21 . . . . -145.00(10) ?
    C1 Fe1 N11 C21 . . . . 174.37(10) ?
    N21 Fe1 N11 C12 . . . . 171.26(8) ?
    O2 Fe1 N11 C12 . . . . -55.22(10) ?
    O1 Fe1 N11 C12 . . . . 26.73(10) ?
    C1 Fe1 N11 C12 . . . . -13.90(11) ?
    N11 Fe1 N21 C41 . . . . 0.69(11) ?
    O2 Fe1 N21 C41 . . . . -137.52(10) ?
    O1 Fe1 N21 C41 . . . . 144.91(10) ?
    C1 Fe1 N21 C41 . . . . -174.52(10) ?
    N11 Fe1 N21 C13 . . . . -170.38(9) ?
    O2 Fe1 N21 C13 . . . . 51.41(10) ?
    O1 Fe1 N21 C13 . . . . -26.16(10) ?
    C1 Fe1 N21 C13 . . . . 14.41(11) ?
    C12 N11 C21 C31 . . . . -171.19(12) ?
    Fe1 N11 C21 C31 . . . . -1.20(18) ?
    C12 N11 C21 C11 . . . . 10.0(2) ?
    Fe1 N11 C21 C11 . . . . -179.97(10) ?
    C61 C11 C21 N11 . . . . 0.2(2) ?
    C81 C11 C21 N11 . . . . 120.07(15) ?
    C71 C11 C21 N11 . . . . -121.56(15) ?
    C61 C11 C21 C31 . . . . -178.68(13) ?
    C81 C11 C21 C31 . . . . -58.79(16) ?
    C71 C11 C21 C31 . . . . 59.58(17) ?
    N11 C21 C31 C41 . . . . 3.6(2) ?
    C11 C21 C31 C41 . . . . -177.51(14) ?
    C13 N21 C41 C31 . . . . 170.36(12) ?
    Fe1 N21 C41 C31 . . . . 0.76(17) ?
    C13 N21 C41 C51 . . . . -12.1(2) ?
    Fe1 N21 C41 C51 . . . . 178.35(10) ?
    C21 C31 C41 N21 . . . . -3.3(2) ?
    C21 C31 C41 C51 . . . . 178.80(14) ?
    N21 C41 C51 C111 . . . . 6.5(2) ?
    C31 C41 C51 C111 . . . . -175.71(13) ?
    N21 C41 C51 C101 . . . . -113.53(15) ?
    C31 C41 C51 C101 . . . . 64.23(15) ?
    N21 C41 C51 C91 . . . . 127.75(14) ?
    C31 C41 C51 C91 . . . . -54.50(15) ?
    C21 N11 C12 C62 . . . . -109.89(16) ?
    Fe1 N11 C12 C62 . . . . 78.90(13) ?
    C21 N11 C12 C22 . . . . 78.69(18) ?
    Fe1 N11 C12 C22 . . . . -92.52(13) ?
    C62 C12 C22 C32 . . . . 2.2(2) ?
    N11 C12 C22 C32 . . . . 173.59(12) ?
    C62 C12 C22 C72 . . . . -174.68(13) ?
    N11 C12 C22 C72 . . . . -3.3(2) ?
    C12 C22 C32 C42 . . . . -0.5(2) ?
    C72 C22 C32 C42 . . . . 176.41(14) ?
    C22 C32 C42 C52 . . . . -0.4(2) ?
    C22 C32 C42 C102 . . . . 179.66(13) ?
    C32 C42 C52 C62 . . . . -0.3(2) ?
    C102 C42 C52 C62 . . . . 179.60(13) ?
    C42 C52 C62 C12 . . . . 2.0(2) ?
    C42 C52 C62 C132 . . . . -177.54(13) ?
    C22 C12 C62 C52 . . . . -2.9(2) ?
    N11 C12 C62 C52 . . . . -174.23(12) ?
    C22 C12 C62 C132 . . . . 176.63(13) ?
    N11 C12 C62 C132 . . . . 5.26(19) ?
    C32 C22 C72 C92 . . . . -73.18(18) ?
    C12 C22 C72 C92 . . . . 103.64(17) ?
    C32 C22 C72 C82 . . . . 49.8(2) ?
    C12 C22 C72 C82 . . . . -133.34(15) ?
    C52 C42 C102 C112 . . . . 89.81(17) ?
    C32 C42 C102 C112 . . . . -90.24(17) ?
    C52 C42 C102 C122 . . . . -35.5(2) ?
    C32 C42 C102 C122 . . . . 144.48(14) ?
    C52 C62 C132 C152 . . . . 49.58(17) ?
    C12 C62 C132 C152 . . . . -129.91(14) ?
    C52 C62 C132 C142 . . . . -73.57(16) ?
    C12 C62 C132 C142 . . . . 106.94(15) ?
    C41 N21 C13 C23 . . . . -82.70(17) ?
    Fe1 N21 C13 C23 . . . . 88.03(13) ?
    C41 N21 C13 C63 . . . . 103.10(16) ?
    Fe1 N21 C13 C63 . . . . -86.17(13) ?
    C63 C13 C23 C33 . . . . -4.4(2) ?
    N21 C13 C23 C33 . . . . -178.60(13) ?
    C63 C13 C23 C73 . . . . 174.76(14) ?
    N21 C13 C23 C73 . . . . 0.6(2) ?
    C13 C23 C33 C43 . . . . 0.5(2) ?
    C73 C23 C33 C43 . . . . -178.66(15) ?
    C23 C33 C43 C53 . . . . 2.7(3) ?
    C23 C33 C43 C10" . . . . -175.4(6) ?
    C23 C33 C43 C10' . . . . 171.5(3) ?
    C23 C33 C43 C103 . . . . -173.7(3) ?
    C33 C43 C53 C63 . . . . -2.3(3) ?
    C10" C43 C53 C63 . . . . 176.1(5) ?
    C10' C43 C53 C63 . . . . -168.0(3) ?
    C103 C43 C53 C63 . . . . 174.4(3) ?
    C43 C53 C63 C13 . . . . -1.5(2) ?
    C43 C53 C63 C133 . . . . 179.90(16) ?
    C23 C13 C63 C53 . . . . 4.8(2) ?
    N21 C13 C63 C53 . . . . 178.95(13) ?
    C23 C13 C63 C133 . . . . -176.59(14) ?
    N21 C13 C63 C133 . . . . -2.5(2) ?
    C33 C23 C73 C83 . . . . 65.21(18) ?
    C13 C23 C73 C83 . . . . -113.94(16) ?
    C33 C23 C73 C93 . . . . -58.00(19) ?
    C13 C23 C73 C93 . . . . 122.84(15) ?
    C53 C43 C103 C123 . . . . -155.7(4) ?
    C33 C43 C103 C123 . . . . 20.7(6) ?
    C53 C43 C103 C113 . . . . 81.0(9) ?
    C33 C43 C103 C113 . . . . -102.6(9) ?
    C53 C43 C10' C11' . . . . 35.4(13) ?
    C33 C43 C10' C11' . . . . -131.2(12) ?
    C53 C43 C10' C12' . . . . -79.9(6) ?
    C33 C43 C10' C12' . . . . 113.6(5) ?
    C53 C43 C10" C12" . . . . -131.4(9) ?
    C33 C43 C10" C12" . . . . 46.8(12) ?
    C53 C43 C10" C11" . . . . 109.3(9) ?
    C33 C43 C10" C11" . . . . -72.5(10) ?
    C53 C63 C133 C143 . . . . -57.51(19) ?
    C13 C63 C133 C143 . . . . 123.91(15) ?
    C53 C63 C133 C153 . . . . 65.5(2) ?
    C13 C63 C133 C153 . . . . -113.08(16) ?
    O3 Fe2 N14 C24 . . . . 175.61(12) ?
    N24 Fe2 N14 C24 . . . . -3.30(12) ?
    O3 Fe2 N14 C15 . . . . -0.73(17) ?
    N24 Fe2 N14 C15 . . . . -179.64(9) ?
    O3 Fe2 N24 C44 . . . . -178.60(11) ?
    N14 Fe2 N24 C44 . . . . 0.85(11) ?
    O3 Fe2 N24 C16 . . . . 4.12(10) ?
    N14 Fe2 N24 C16 . . . . -176.43(8) ?
    C15 N14 C24 C34 . . . . 178.85(12) ?
    Fe2 N14 C24 C34 . . . . 3.11(18) ?
    C15 N14 C24 C14 . . . . -3.3(2) ?
    Fe2 N14 C24 C14 . . . . -178.99(11) ?
    C15 N14 C24 C14' . . . . 9.1(5) ?
    Fe2 N14 C24 C14' . . . . -166.6(5) ?
    C64 C14 C24 N14 . . . . -3.3(2) ?
    C74 C14 C24 N14 . . . . -123.97(17) ?
    C84 C14 C24 N14 . . . . 118.35(17) ?
    C64 C14 C24 C34 . . . . 174.74(16) ?
    C74 C14 C24 C34 . . . . 54.06(19) ?
    C84 C14 C24 C34 . . . . -63.63(18) ?
    C64 C14 C24 C14' . . . . -102(2) ?
    C74 C14 C24 C14' . . . . 137(2) ?
    C84 C14 C24 C14' . . . . 20(2) ?
    C74' C14' C24 N14 . . . . 51.4(8) ?
    C64' C14' C24 N14 . . . . 175.6(5) ?
    C84' C14' C24 N14 . . . . -67.1(7) ?
    C74' C14' C24 C34 . . . . -119.1(7) ?
    C64' C14' C24 C34 . . . . 5.1(8) ?
    C84' C14' C24 C34 . . . . 122.4(6) ?
    C74' C14' C24 C14 . . . . 140(3) ?
    C64' C14' C24 C14 . . . . -96(3) ?
    C84' C14' C24 C14 . . . . 21(2) ?
    N14 C24 C34 C44 . . . . 0.4(2) ?
    C14 C24 C34 C44 . . . . -177.65(15) ?
    C14' C24 C34 C44 . . . . 171.4(4) ?
    C16 N24 C44 C34 . . . . 178.40(13) ?
    Fe2 N24 C44 C34 . . . . 1.75(18) ?
    C16 N24 C44 C54 . . . . -2.6(2) ?
    Fe2 N24 C44 C54 . . . . -179.24(9) ?
    C24 C34 C44 N24 . . . . -3.1(2) ?
    C24 C34 C44 C54 . . . . 177.76(14) ?
    N24 C44 C54 C114 . . . . 3.69(19) ?
    C34 C44 C54 C114 . . . . -177.25(12) ?
    N24 C44 C54 C94 . . . . 124.59(14) ?
    C34 C44 C54 C94 . . . . -56.34(15) ?
    N24 C44 C54 C104 . . . . -115.80(14) ?
    C34 C44 C54 C104 . . . . 63.27(15) ?
    C24 N14 C15 C25 . . . . 97.47(17) ?
    Fe2 N14 C15 C25 . . . . -86.26(13) ?
    C24 N14 C15 C65 . . . . -88.49(17) ?
    Fe2 N14 C15 C65 . . . . 87.77(13) ?
    C65 C15 C25 C35 . . . . 5.3(2) ?
    N14 C15 C25 C35 . . . . 179.31(13) ?
    C65 C15 C25 C75 . . . . -174.06(14) ?
    N14 C15 C25 C75 . . . . -0.1(2) ?
    C15 C25 C35 C45 . . . . -1.7(2) ?
    C75 C25 C35 C45 . . . . 177.72(15) ?
    C25 C35 C45 C55 . . . . -2.6(2) ?
    C25 C35 C45 C105 . . . . 176.89(14) ?
    C35 C45 C55 C65 . . . . 3.4(2) ?
    C105 C45 C55 C65 . . . . -176.12(14) ?
    C45 C55 C65 C15 . . . . 0.1(2) ?
    C45 C55 C65 C13" . . . . -173.2(4) ?
    C45 C55 C65 C135 . . . . 172.1(4) ?
    C25 C15 C65 C55 . . . . -4.6(2) ?
    N14 C15 C65 C55 . . . . -178.59(13) ?
    C25 C15 C65 C13" . . . . 168.8(4) ?
    N14 C15 C65 C13" . . . . -5.2(4) ?
    C25 C15 C65 C135 . . . . -176.3(4) ?
    N14 C15 C65 C135 . . . . 9.7(4) ?
    C35 C25 C75 C95 . . . . 55.7(2) ?
    C15 C25 C75 C95 . . . . -124.91(16) ?
    C35 C25 C75 C85 . . . . -67.99(19) ?
    C15 C25 C75 C85 . . . . 111.38(16) ?
    C35 C45 C105 C125 . . . . 6.5(2) ?
    C55 C45 C105 C125 . . . . -174.00(13) ?
    C35 C45 C105 C115 . . . . -117.65(16) ?
    C55 C45 C105 C115 . . . . 61.83(18) ?
    C55 C65 C135 C155 . . . . 84.9(6) ?
    C15 C65 C135 C155 . . . . -103.4(7) ?
    C55 C65 C135 C145 . . . . -40.0(9) ?
    C15 C65 C135 C145 . . . . 131.7(7) ?
    C55 C65 C13" C15" . . . . 91.0(6) ?
    C15 C65 C13" C15" . . . . -82.2(7) ?
    C55 C65 C13" C14" . . . . -33.6(7) ?
    C15 C65 C13" C14" . . . . 153.2(5) ?
    C44 N24 C16 C26 . . . . -93.88(17) ?
    Fe2 N24 C16 C26 . . . . 83.23(12) ?
    C44 N24 C16 C66 . . . . 96.82(17) ?
    Fe2 N24 C16 C66 . . . . -86.06(12) ?
    C66 C16 C26 C36 . . . . -0.70(19) ?
    N24 C16 C26 C36 . . . . -169.87(12) ?
    C66 C16 C26 C76 . . . . 176.84(12) ?
    N24 C16 C26 C76 . . . . 7.68(19) ?
    C16 C26 C36 C46 . . . . 0.9(2) ?
    C76 C26 C36 C46 . . . . -176.75(13) ?
    C26 C36 C46 C56 . . . . -1.0(2) ?
    C26 C36 C46 C106 . . . . 176.03(13) ?
    C36 C46 C56 C66 . . . . 1.0(2) ?
    C106 C46 C56 C66 . . . . -176.02(13) ?
    C46 C56 C66 C16 . . . . -0.9(2) ?
    C46 C56 C66 C136 . . . . 177.18(13) ?
    C26 C16 C66 C56 . . . . 0.69(19) ?
    N24 C16 C66 C56 . . . . 169.83(12) ?
    C26 C16 C66 C136 . . . . -177.26(12) ?
    N24 C16 C66 C136 . . . . -8.12(19) ?
    C36 C26 C76 C96 . . . . 71.07(17) ?
    C16 C26 C76 C96 . . . . -106.46(16) ?
    C36 C26 C76 C86 . . . . -52.28(18) ?
    C16 C26 C76 C86 . . . . 130.20(14) ?
    C36 C46 C106 C116 . . . . 126.46(15) ?
    C56 C46 C106 C116 . . . . -56.62(19) ?
    C36 C46 C106 C126 . . . . -108.33(16) ?
    C56 C46 C106 C126 . . . . 68.59(18) ?
    C56 C66 C136 C146 . . . . 57.78(17) ?
    C16 C66 C136 C146 . . . . -124.28(14) ?
    C56 C66 C136 C156 . . . . -65.04(17) ?
    C16 C66 C136 C156 . . . . 112.90(15) ?
    C77 C27 C37 C47 . . . . -2.3(6) ?
    C17 C27 C37 C47 . . . . -179.9(4) ?
    C27 C37 C47 C57 . . . . -0.6(7) ?
    C37 C47 C57 C67 . . . . 0.2(7) ?
    C47 C57 C67 C77 . . . . 3.2(7) ?
    C57 C67 C77 C27 . . . . -6.3(9) ?
    C37 C27 C77 C67 . . . . 5.7(8) ?
    C17 C27 C77 C67 . . . . -176.8(5) ?
    C77' C27' C37' C47' . . . . 0.3(4) ?
    C17' C27' C37' C47' . . . . -179.7(3) ?
    C27' C37' C47' C57' . . . . -0.8(6) ?
    C37' C47' C57' C67' . . . . 1.0(7) ?
    C47' C57' C67' C77' . . . . -0.7(8) ?
    C57' C67' C77' C27' . . . . 0.2(7) ?
    C37' C27' C77' C67' . . . . 0.0(5) ?
    C17' C27' C77' C67' . . . . -180.0(3) ?
    C78 C28 C38 C48 . . . . 0.2(4) ?
    C18 C28 C38 C48 . . . . -179.9(2) ?
    C28 C38 C48 C58 . . . . -0.4(5) ?
    C38 C48 C58 C68 . . . . 0.7(6) ?
    C48 C58 C68 C78 . . . . -0.9(6) ?
    C38 C28 C78 C68 . . . . -0.4(5) ?
    C18 C28 C78 C68 . . . . 179.7(3) ?
    C58 C68 C78 C28 . . . . 0.7(5) ?
    C79 C29 C39 C49 . . . . -0.1(4) ?
    C19 C29 C39 C49 . . . . 180.0(3) ?
    C29 C39 C49 C59 . . . . 0.3(6) ?
    C39 C49 C59 C69 . . . . -0.5(8) ?
    C49 C59 C69 C79 . . . . 0.6(8) ?
    C59 C69 C79 C29 . . . . -0.5(8) ?
    C39 C29 C79 C69 . . . . 0.2(6) ?
    C19 C29 C79 C69 . . . . -179.9(4) ?
    C79' C29' C39' C49' . . . . 0.0(4) ?
    C19' C29' C39' C49' . . . . -180.0(3) ?
    C29' C39' C49' C59' . . . . 0.0(6) ?
    C39' C49' C59' C69' . . . . -0.1(8) ?
    C49' C59' C69' C79' . . . . 0.2(9) ?
    C59' C69' C79' C29' . . . . -0.2(8) ?
    C39' C29' C79' C69' . . . . 0.1(6) ?
    C19' C29' C79' C69' . . . . -179.9(4) ?
data_global
_journal_date_recd_electronic     2009-02-24
_journal_date_accepted     2009-03-26
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2009
_journal_volume     65
_journal_issue      5
_journal_page_first     m174
_journal_page_last     m176
_journal_paper_category     FM
_journal_coeditor_code     MX3010
_publ_contact_author_name     'Patrick L. Holland'
_publ_contact_author_address
;
Department of Chemistry
University of Rochester
Rochester
NY 14627
USA
;
_publ_contact_author_email     holland@chem.rochester.edu
_publ_contact_author_fax     1-585-276-0205
_publ_contact_author_phone     1-585-273-3092
_publ_section_title
;
A diketiminate-bound diiron complex with a bridging carbonate ligand
;
loop_
    _publ_author_name
    _publ_author_address
    'Sadique, Azwana R.'
;
Department of Chemistry
University of Rochester
Rochester
NY 14627
USA
;
    'Brennessel, William W.'
;
Department of Chemistry
University of Rochester
Rochester
NY 14627
USA
;
    'Holland, Patrick L.'
;
Department of Chemistry
University of Rochester
Rochester
NY 14627
USA
;