##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
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# of the IUCr Commission on Journals.                                        #
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# 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.    #
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# Software is freely available for graphical display of the structure(s) in  #
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data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2009-10-29
_journal_date_accepted     2009-11-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     12
_journal_page_first     m1521
_journal_page_last     m1521
_journal_paper_category     QM
_journal_coeditor_code     DN2508
_publ_contact_author_name     'Fang-Fang Jian'
_publ_contact_author_address
;
Microscale Science Institute
Weifang University
Weifang 261061
People's Republic of China
;
_publ_contact_author_email     ffjian2008@163.com
_publ_contact_author_fax     '86-536-8785802'
_publ_contact_author_phone     '86-536-8785802'
_publ_section_title
;
Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Chun-Lan Zhang' ?
;
Microscale Science Institute,
Biology Department,
Weifang University,
Weifang 261061,
People's Republic of China
;
    'Fang-Fang Jian' ?
;
Microscale Science Institute,
Weifang University,
Weifang 261061,
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H14 Ag N2 O2 +, C7 H3 N2 O7 -'
_chemical_formula_sum     'C25 H17 Ag N4 O9'
_chemical_formula_iupac     '[Ag (C9 H7 N O)2] (C7 H3 N2 O7)'
_chemical_formula_weight     625.30
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21'
_symmetry_space_group_name_Hall     'P 2yb'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z'
_cell_length_a     9.0154(18)
_cell_length_b     7.6122(15)
_cell_length_c     17.138(3)
_cell_angle_alpha     90.00
_cell_angle_beta     104.38(3)
_cell_angle_gamma     90.00
_cell_volume     1139.3(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     4356
_cell_measurement_theta_min     3.55
_cell_measurement_theta_max     27.57
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.20
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.11
_exptl_crystal_density_diffrn     1.823
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     628
_exptl_absorpt_coefficient_mu     0.953
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_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 CCD area-detector'
_diffrn_measurement_method     '\f and \w'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10841
_diffrn_reflns_av_R_equivalents     0.0224
_diffrn_reflns_av_sigmaI/netI     0.0322
_diffrn_reflns_theta_min     3.55
_diffrn_reflns_theta_max     27.57
_diffrn_reflns_theta_full     27.57
_diffrn_measured_fraction_theta_max     0.989
_diffrn_measured_fraction_theta_full     0.989
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     8
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     22
_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     4602
_reflns_number_gt     4356
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0260
_refine_ls_R_factor_gt     0.0238
_refine_ls_wR_factor_gt     0.0559
_refine_ls_wR_factor_ref     0.0569
_refine_ls_goodness_of_fit_ref     1.088
_refine_ls_restrained_S_all     1.088
_refine_ls_number_reflns     4602
_refine_ls_number_parameters     353
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.3633P] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.703
_refine_diff_density_min     -0.304
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 1770 Friedel pairs'
_refine_ls_abs_structure_Flack     0.006(18)
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'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT (Bruker, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
   'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
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
    Ag Ag1 0.062198(19) 0.74284(3) 0.668865(11) 0.01870(6) Uani d . 1 . .
    O O1 -0.0991(2) 0.4624(3) 0.64039(12) 0.0199(4) Uani d . 1 . .
    H H1AA -0.0950 0.3450 0.6670 0.030 Uiso d R 1 . .
    O O2 0.1744(2) 0.5065(3) 0.77201(12) 0.0217(4) Uani d . 1 . .
    H H2AA 0.1409 0.4170 0.7790 0.033 Uiso d R 1 . .
    N N1 -0.1155(2) 0.7669(4) 0.55612(13) 0.0174(5) Uani d . 1 . .
    N N2 0.2684(3) 0.8371(3) 0.75436(14) 0.0163(5) Uani d . 1 . .
    C C1 -0.1281(3) 0.9178(4) 0.51463(19) 0.0223(6) Uani d . 1 . .
    H H1A -0.0613 1.0090 0.5354 0.027 Uiso calc R 1 . .
    C C2 -0.2364(4) 0.9449(4) 0.44186(18) 0.0246(6) Uani d . 1 . .
    H H2A -0.2410 1.0519 0.4152 0.030 Uiso calc R 1 . .
    C C3 -0.3353(3) 0.8132(4) 0.41024(19) 0.0211(6) Uani d . 1 . .
    H H3A -0.4080 0.8297 0.3618 0.025 Uiso calc R 1 . .
    C C4 -0.3269(3) 0.6506(4) 0.45167(18) 0.0170(6) Uani d . 1 . .
    C C5 -0.4267(3) 0.5080(4) 0.42261(17) 0.0209(6) Uani d . 1 . .
    H H5A -0.5013 0.5186 0.3744 0.025 Uiso calc R 1 . .
    C C6 -0.4132(3) 0.3552(4) 0.46543(18) 0.0214(6) Uani d . 1 . .
    H H6A -0.4774 0.2614 0.4454 0.026 Uiso calc R 1 . .
    C C7 -0.3036(3) 0.3371(4) 0.53957(17) 0.0187(6) Uani d . 1 . .
    H H7A -0.2977 0.2327 0.5683 0.022 Uiso calc R 1 . .
    C C8 -0.2059(3) 0.4719(4) 0.56950(16) 0.0149(5) Uani d . 1 . .
    C C9 -0.2140(3) 0.6332(4) 0.52566(16) 0.0141(5) Uani d . 1 . .
    C C10 0.3161(3) 0.9992(4) 0.74638(17) 0.0187(6) Uani d . 1 . .
    H H10A 0.2572 1.0697 0.7061 0.022 Uiso calc R 1 . .
    C C11 0.4512(3) 1.0703(4) 0.79573(19) 0.0222(6) Uani d . 1 . .
    H H11A 0.4807 1.1847 0.7878 0.027 Uiso calc R 1 . .
    C C12 0.5375(3) 0.9694(4) 0.85498(18) 0.0210(6) Uani d . 1 . .
    H H12A 0.6277 1.0140 0.8878 0.025 Uiso calc R 1 . .
    C C13 0.4907(3) 0.7962(4) 0.86706(17) 0.0172(6) Uani d . 1 . .
    C C14 0.5745(3) 0.6843(4) 0.92847(17) 0.0199(6) Uani d . 1 . .
    H H14A 0.6655 0.7235 0.9626 0.024 Uiso calc R 1 . .
    C C15 0.5225(3) 0.5197(4) 0.93780(17) 0.0206(6) Uani d . 1 . .
    H H15A 0.5776 0.4479 0.9788 0.025 Uiso calc R 1 . .
    C C16 0.3864(3) 0.4567(4) 0.88625(17) 0.0177(6) Uani d . 1 . .
    H H16A 0.3520 0.3443 0.8937 0.021 Uiso calc R 1 . .
    C C17 0.3044(3) 0.5596(4) 0.82523(16) 0.0144(5) Uani d . 1 . .
    C C18 0.3541(2) 0.7342(6) 0.81437(14) 0.0140(4) Uani d . 1 . .
    O O3 0.1402(2) -0.0140(3) 0.92529(13) 0.0260(5) Uani d . 1 . .
    H H3B 0.1405 0.0793 0.9015 0.039 Uiso d R 1 . .
    O O4 -0.4152(2) -0.3754(3) 0.69128(14) 0.0284(5) Uani d . 1 . .
    O O5 -0.3271(2) -0.5962(3) 0.76855(13) 0.0273(5) Uani d . 1 . .
    O O6 0.1239(2) -0.5246(3) 0.98348(12) 0.0211(4) Uani d . 1 . .
    O O7 0.1678(2) -0.2656(4) 1.03550(11) 0.0289(4) Uani d . 1 . .
    O O8 -0.0981(2) 0.1498(3) 0.70194(12) 0.0242(5) Uani d . 1 . .
    O O9 0.0667(2) 0.2136(3) 0.81890(12) 0.0198(5) Uani d . 1 . .
    N N3 -0.3217(2) -0.4436(3) 0.74770(14) 0.0173(5) Uani d . 1 . .
    N N4 0.1088(2) -0.3646(3) 0.98082(14) 0.0151(5) Uani d . 1 . .
    C C19 -0.1971(3) -0.3338(4) 0.79249(18) 0.0131(6) Uani d . 1 . .
    C C20 -0.1028(3) -0.3990(3) 0.86303(16) 0.0128(5) Uani d . 1 . .
    H H20A -0.1152 -0.5127 0.8803 0.015 Uiso calc R 1 . .
    C C21 0.0095(3) -0.2909(3) 0.90660(15) 0.0118(6) Uani d . 1 . .
    C C22 0.0328(3) -0.1188(4) 0.88193(16) 0.0131(5) Uani d . 1 . .
    C C23 -0.0605(3) -0.0602(3) 0.80700(16) 0.0130(5) Uani d . 1 . .
    C C24 -0.1769(3) -0.1677(4) 0.76339(18) 0.0137(6) Uani d . 1 . .
    H H24A -0.2405 -0.1286 0.7152 0.016 Uiso calc R 1 . .
    C C25 -0.0306(3) 0.1145(4) 0.77252(16) 0.0150(5) Uani d . 1 . .
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
    Ag1 0.01624(8) 0.01725(9) 0.01946(9) -0.00342(12) -0.00152(6) 0.00022(11)
    O1 0.0213(10) 0.0127(9) 0.0199(10) -0.0063(8) -0.0062(8) 0.0045(7)
    O2 0.0185(9) 0.0169(10) 0.0244(11) -0.0079(8) -0.0046(8) 0.0028(8)
    N1 0.0194(9) 0.0143(15) 0.0179(10) -0.0003(11) 0.0034(8) 0.0009(10)
    N2 0.0138(10) 0.0164(12) 0.0191(12) -0.0018(9) 0.0047(9) 0.0005(9)
    C1 0.0256(14) 0.0145(13) 0.0262(16) -0.0040(13) 0.0053(12) 0.0045(11)
    C2 0.0331(16) 0.0181(15) 0.0238(16) 0.0071(14) 0.0092(13) 0.0106(12)
    C3 0.0216(13) 0.0248(14) 0.0156(15) 0.0061(12) 0.0021(11) 0.0024(11)
    C4 0.0139(12) 0.0219(15) 0.0152(14) 0.0027(11) 0.0036(10) 0.0011(12)
    C5 0.0161(13) 0.0293(16) 0.0149(14) 0.0008(13) -0.0007(10) -0.0035(12)
    C6 0.0154(13) 0.0245(15) 0.0215(15) -0.0088(12) -0.0008(10) -0.0052(12)
    C7 0.0181(13) 0.0179(15) 0.0188(14) -0.0042(11) 0.0023(10) 0.0014(11)
    C8 0.0142(12) 0.0145(13) 0.0143(13) 0.0003(11) 0.0002(10) 0.0000(10)
    C9 0.0142(12) 0.0143(13) 0.0135(13) -0.0007(11) 0.0030(9) 0.0009(10)
    C10 0.0208(13) 0.0172(14) 0.0199(15) -0.0023(12) 0.0082(11) 0.0027(11)
    C11 0.0261(14) 0.0167(14) 0.0257(16) -0.0085(13) 0.0098(12) -0.0039(12)
    C12 0.0182(13) 0.0228(15) 0.0231(15) -0.0110(12) 0.0071(11) -0.0096(12)
    C13 0.0141(11) 0.0225(15) 0.0162(13) -0.0030(10) 0.0064(10) -0.0058(10)
    C14 0.0112(11) 0.0293(15) 0.0177(14) -0.0033(11) 0.0005(10) -0.0069(10)
    C15 0.0138(12) 0.0278(16) 0.0181(14) 0.0033(12) 0.0000(10) 0.0019(11)
    C16 0.0162(12) 0.0153(13) 0.0207(14) -0.0018(11) 0.0032(10) -0.0002(10)
    C17 0.0111(11) 0.0143(13) 0.0172(14) -0.0019(11) 0.0028(10) -0.0028(10)
    C18 0.0113(9) 0.0151(11) 0.0166(11) 0.0013(17) 0.0052(8) 0.0003(15)
    O3 0.0224(10) 0.0222(11) 0.0283(12) -0.0065(9) -0.0032(9) 0.0033(9)
    O4 0.0209(10) 0.0281(12) 0.0268(12) -0.0043(9) -0.0115(8) -0.0011(9)
    O5 0.0294(11) 0.0195(11) 0.0293(12) -0.0131(10) 0.0006(9) 0.0017(9)
    O6 0.0213(10) 0.0160(10) 0.0235(11) 0.0028(8) 0.0008(8) 0.0058(8)
    O7 0.0344(9) 0.0225(10) 0.0200(9) 0.0054(15) -0.0118(7) -0.0024(13)
    O8 0.0317(11) 0.0166(11) 0.0195(11) -0.0060(9) -0.0027(8) 0.0065(8)
    O9 0.0211(8) 0.0132(14) 0.0224(9) -0.0063(9) 0.0004(7) 0.0004(8)
    N3 0.0140(10) 0.0190(12) 0.0169(12) -0.0061(10) 0.0004(9) -0.0041(9)
    N4 0.0115(10) 0.0166(12) 0.0153(11) 0.0017(9) -0.0004(8) 0.0023(9)
    C19 0.0078(11) 0.0166(13) 0.0139(14) -0.0039(10) 0.0007(10) -0.0040(11)
    C20 0.0160(12) 0.0084(12) 0.0140(13) -0.0004(10) 0.0034(9) 0.0006(9)
    C21 0.0095(9) 0.0131(18) 0.0109(11) 0.0044(10) -0.0009(8) 0.0026(9)
    C22 0.0084(11) 0.0151(14) 0.0147(13) -0.0009(10) 0.0011(9) -0.0027(10)
    C23 0.0130(11) 0.0110(13) 0.0139(12) -0.0003(11) 0.0013(9) -0.0003(10)
    C24 0.0122(12) 0.0145(14) 0.0142(14) 0.0023(11) 0.0028(10) 0.0010(11)
    C25 0.0151(12) 0.0110(12) 0.0182(14) 0.0005(11) 0.0030(10) 0.0009(10)
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
    Ag1 N2 . 2.183(2) ?
    Ag1 N1 . 2.190(2) ?
    Ag1 O2 . 2.549(2) ?
    Ag1 O1 . 2.561(2) ?
    O1 C8 . 1.352(3) ?
    O1 H1AA . 0.9999 ?
    O2 C17 . 1.355(3) ?
    O2 H2AA . 0.7666 ?
    N1 C1 . 1.341(4) ?
    N1 C9 . 1.366(4) ?
    N2 C10 . 1.325(4) ?
    N2 C18 . 1.368(4) ?
    C1 C2 . 1.395(4) ?
    C1 H1A . 0.9300 ?
    C2 C3 . 1.361(5) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.420(4) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.419(4) ?
    C4 C9 . 1.422(4) ?
    C5 C6 . 1.364(4) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.409(4) ?
    C6 H6A . 0.9300 ?
    C7 C8 . 1.366(4) ?
    C7 H7A . 0.9300 ?
    C8 C9 . 1.432(4) ?
    C10 C11 . 1.407(4) ?
    C10 H10A . 0.9300 ?
    C11 C12 . 1.354(4) ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.415(4) ?
    C12 H12A . 0.9300 ?
    C13 C18 . 1.415(4) ?
    C13 C14 . 1.417(4) ?
    C14 C15 . 1.361(4) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.406(4) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.367(4) ?
    C16 H16A . 0.9300 ?
    C17 C18 . 1.430(5) ?
    O3 C22 . 1.330(3) ?
    O3 H3B . 0.8193 ?
    O4 N3 . 1.229(3) ?
    O5 N3 . 1.220(3) ?
    O6 N4 . 1.225(3) ?
    O7 N4 . 1.217(3) ?
    O8 C25 . 1.241(3) ?
    O9 C25 . 1.274(3) ?
    N3 C19 . 1.457(3) ?
    N4 C21 . 1.472(3) ?
    C19 C20 . 1.386(4) ?
    C19 C24 . 1.387(4) ?
    C20 C21 . 1.373(4) ?
    C20 H20A . 0.9300 ?
    C21 C22 . 1.409(4) ?
    C22 C23 . 1.421(4) ?
    C23 C24 . 1.393(4) ?
    C23 C25 . 1.507(4) ?
    C24 H24A . 0.9300 ?
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
    N2 Ag1 N1 . . 151.54(9) ?
    N2 Ag1 O2 . . 68.97(8) ?
    N1 Ag1 O2 . . 138.45(9) ?
    N2 Ag1 O1 . . 138.63(8) ?
    N1 Ag1 O1 . . 69.23(8) ?
    O2 Ag1 O1 . . 69.67(6) ?
    C8 O1 Ag1 . . 111.74(16) ?
    C8 O1 H1AA . . 113.3 ?
    Ag1 O1 H1AA . . 134.7 ?
    C17 O2 Ag1 . . 112.59(16) ?
    C17 O2 H2AA . . 117.9 ?
    Ag1 O2 H2AA . . 129.2 ?
    C1 N1 C9 . . 118.3(2) ?
    C1 N1 Ag1 . . 119.1(2) ?
    C9 N1 Ag1 . . 122.58(19) ?
    C10 N2 C18 . . 118.3(3) ?
    C10 N2 Ag1 . . 118.73(19) ?
    C18 N2 Ag1 . . 123.0(2) ?
    N1 C1 C2 . . 123.3(3) ?
    N1 C1 H1A . . 118.4 ?
    C2 C1 H1A . . 118.4 ?
    C3 C2 C1 . . 119.4(3) ?
    C3 C2 H2A . . 120.3 ?
    C1 C2 H2A . . 120.3 ?
    C2 C3 C4 . . 119.6(3) ?
    C2 C3 H3A . . 120.2 ?
    C4 C3 H3A . . 120.2 ?
    C5 C4 C3 . . 122.8(3) ?
    C5 C4 C9 . . 119.6(3) ?
    C3 C4 C9 . . 117.7(3) ?
    C6 C5 C4 . . 119.9(3) ?
    C6 C5 H5A . . 120.0 ?
    C4 C5 H5A . . 120.0 ?
    C5 C6 C7 . . 121.2(3) ?
    C5 C6 H6A . . 119.4 ?
    C7 C6 H6A . . 119.4 ?
    C8 C7 C6 . . 120.5(3) ?
    C8 C7 H7A . . 119.8 ?
    C6 C7 H7A . . 119.8 ?
    O1 C8 C7 . . 123.1(2) ?
    O1 C8 C9 . . 116.7(2) ?
    C7 C8 C9 . . 120.2(2) ?
    N1 C9 C4 . . 121.7(2) ?
    N1 C9 C8 . . 119.7(2) ?
    C4 C9 C8 . . 118.6(2) ?
    N2 C10 C11 . . 123.4(3) ?
    N2 C10 H10A . . 118.3 ?
    C11 C10 H10A . . 118.3 ?
    C12 C11 C10 . . 118.9(3) ?
    C12 C11 H11A . . 120.6 ?
    C10 C11 H11A . . 120.6 ?
    C11 C12 C13 . . 120.1(3) ?
    C11 C12 H12A . . 119.9 ?
    C13 C12 H12A . . 119.9 ?
    C18 C13 C12 . . 117.5(3) ?
    C18 C13 C14 . . 119.5(3) ?
    C12 C13 C14 . . 123.0(3) ?
    C15 C14 C13 . . 120.3(2) ?
    C15 C14 H14A . . 119.8 ?
    C13 C14 H14A . . 119.8 ?
    C14 C15 C16 . . 120.8(3) ?
    C14 C15 H15A . . 119.6 ?
    C16 C15 H15A . . 119.6 ?
    C17 C16 C15 . . 120.5(3) ?
    C17 C16 H16A . . 119.7 ?
    C15 C16 H16A . . 119.7 ?
    O2 C17 C16 . . 123.9(3) ?
    O2 C17 C18 . . 115.9(2) ?
    C16 C17 C18 . . 120.3(2) ?
    N2 C18 C13 . . 121.9(3) ?
    N2 C18 C17 . . 119.6(2) ?
    C13 C18 C17 . . 118.6(3) ?
    C22 O3 H3B . . 109.5 ?
    O5 N3 O4 . . 124.3(2) ?
    O5 N3 C19 . . 118.3(2) ?
    O4 N3 C19 . . 117.4(2) ?
    O7 N4 O6 . . 124.3(2) ?
    O7 N4 C21 . . 119.0(2) ?
    O6 N4 C21 . . 116.7(2) ?
    C20 C19 C24 . . 122.2(3) ?
    C20 C19 N3 . . 118.7(3) ?
    C24 C19 N3 . . 119.1(3) ?
    C21 C20 C19 . . 118.0(2) ?
    C21 C20 H20A . . 121.0 ?
    C19 C20 H20A . . 121.0 ?
    C20 C21 C22 . . 122.6(2) ?
    C20 C21 N4 . . 116.7(2) ?
    C22 C21 N4 . . 120.7(2) ?
    O3 C22 C21 . . 122.2(2) ?
    O3 C22 C23 . . 120.1(3) ?
    C21 C22 C23 . . 117.7(2) ?
    C24 C23 C22 . . 119.9(3) ?
    C24 C23 C25 . . 119.5(2) ?
    C22 C23 C25 . . 120.5(2) ?
    C19 C24 C23 . . 119.4(3) ?
    C19 C24 H24A . . 120.3 ?
    C23 C24 H24A . . 120.3 ?
    O8 C25 O9 . . 125.1(3) ?
    O8 C25 C23 . . 118.7(2) ?
    O9 C25 C23 . . 116.1(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1AA O8 . 1.00 1.60 2.602(3) 174.7
    O2 H2AA O9 . 0.77 1.88 2.636(3) 167.9
    O3 H3B O9 . 0.82 1.74 2.483(3) 150.1