data_yb32hp _publ_contact_author_name 'Kenneth N. Raymond' _publ_contact_author_address ;Department of Chemistry University of California Berkeley, CA 947020-1460 ; _publ_contact_author_email raymond@socrates.berkeley.edu _publ_contact_author_fax +1-510-486-5283 loop_ _publ_author_name _publ_author_address 'Raymond, Kenneth N.' ;Department of Chemistry University of California Berkeley, CA 947020-1460 ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C27 H30 N7 O9 Yb, H2O' _chemical_formula_sum 'C27 H34 N7 O11 Yb' _chemical_formula_weight 805.639 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' 'Yb' 'Yb' -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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 10.1056(7) _cell_length_b 10.6100(7) _cell_length_c 16.8122(11) _cell_angle_alpha 84.1570(10) _cell_angle_beta 79.1390(10) _cell_angle_gamma 66.1760(10) _cell_volume 1618.81(19) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description brick _exptl_crystal_colour colorless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.579 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 766 _exptl_absorpt_coefficient_mu 2.948 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.78 _exptl_absorpt_correction_T_max 0.92 _exptl_absorpt_process_details 'SADABS (Bruker 2005)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 189(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens Smart CCD' _diffrn_measurement_method \w-scan _diffrn_detector_area_resol_mean 83.23 _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 10489 _diffrn_reflns_av_R_equivalents 0.0169 _diffrn_reflns_av_sigmaI/netI 0.0315 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.10 _diffrn_reflns_theta_max 26.40 _reflns_number_total 6466 _reflns_number_gt 5871 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART V5.059 (Bruker)' _computing_cell_refinement 'SAINT V7.07B (Bruker)' _computing_data_reduction 'SAINT V7.07B (Bruker)' _computing_structure_solution 'SIR-92 (Altomare, 1993)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0423P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6466 _refine_ls_number_parameters 456 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0282 _refine_ls_R_factor_gt 0.0247 _refine_ls_wR_factor_ref 0.0628 _refine_ls_wR_factor_gt 0.0619 _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_restrained_S_all 1.021 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Yb1 Yb 0.779212(14) 0.140900(13) 0.265242(8) 0.01561(5) Uani 1 1 d . . . O7 O 0.6185(2) 0.3744(2) 0.25355(15) 0.0267(5) Uani 1 1 d . . . O6 O 0.9136(2) 0.0154(2) 0.36197(12) 0.0178(4) Uani 1 1 d . . . C26 C 1.0516(4) -0.1983(3) 0.48192(19) 0.0193(6) Uani 1 1 d . . . O8 O 0.9083(2) 0.2641(2) 0.30012(14) 0.0227(5) Uani 1 1 d . . . C10 C 1.0821(4) -0.5263(3) 0.3351(2) 0.0245(7) Uani 1 1 d . . . H10A H 1.1294 -0.6035 0.3703 0.029 Uiso 1 1 calc R . . H10B H 1.0729 -0.5630 0.2868 0.029 Uiso 1 1 calc R . . O3 O 0.8674(3) 0.2328(2) 0.14261(14) 0.0244(5) Uani 1 1 d . . . O5 O 0.6353(2) 0.1857(2) 0.39233(13) 0.0201(5) Uani 1 1 d . . . O10 O 1.3273(3) -0.3120(2) 0.04077(14) 0.0295(5) Uani 1 1 d . . . O4 O 0.9635(2) -0.0276(2) 0.18768(13) 0.0212(5) Uani 1 1 d . . . O1 O 0.5926(2) 0.1422(2) 0.19870(14) 0.0226(5) Uani 1 1 d . . . C23 C 0.8991(3) -0.0907(3) 0.49454(19) 0.0180(6) Uani 1 1 d . . . O11 O 1.1025(3) -0.2790(2) 0.53857(14) 0.0248(5) Uani 1 1 d . . . O2 O 0.7363(2) -0.0585(2) 0.29290(13) 0.0193(5) Uani 1 1 d . . . N1 N 0.4975(3) 0.0085(3) 0.14986(17) 0.0244(6) Uani 1 1 d . . . N2 N 1.0461(3) 0.1952(3) 0.03225(17) 0.0216(6) Uani 1 1 d . . . O9 O 0.7745(4) -0.4621(3) 0.26226(19) 0.0481(8) Uani 1 1 d . . . N6 N 1.1274(3) -0.2070(3) 0.40769(17) 0.0208(6) Uani 1 1 d . . . C24 C 0.8433(3) 0.0032(3) 0.43309(19) 0.0176(6) Uani 1 1 d . . . C7 C 0.7693(4) -0.3457(3) 0.2748(2) 0.0251(7) Uani 1 1 d . . . C12 C 1.1609(4) 0.1045(4) -0.0191(2) 0.0239(7) Uani 1 1 d . . . H12 H 1.2029 0.1379 -0.0659 0.029 Uiso 1 1 calc R . . N5 N 1.1435(3) -0.2889(3) 0.14637(17) 0.0219(6) Uani 1 1 d . . . N7 N 1.1728(3) -0.4463(3) 0.31245(16) 0.0206(6) Uani 1 1 d . . . N4 N 0.8457(3) -0.3277(3) 0.32577(16) 0.0201(6) Uani 1 1 d . . . N3 N 0.6077(3) 0.0975(3) 0.52099(16) 0.0217(6) Uani 1 1 d . . . C13 C 1.2126(3) -0.0323(3) -0.00183(19) 0.0206(6) Uani 1 1 d . . . H13 H 1.2893 -0.0921 -0.0373 0.025 Uiso 1 1 calc R . . C4 C 0.6755(4) -0.2200(3) 0.2331(2) 0.0216(7) Uani 1 1 d . . . C14 C 1.1515(3) -0.0865(3) 0.06992(18) 0.0176(6) Uani 1 1 d . . . C5 C 0.6700(3) -0.0905(3) 0.24414(18) 0.0190(6) Uani 1 1 d . . . C17 C 1.2146(3) -0.2377(3) 0.08511(19) 0.0207(7) Uani 1 1 d . . . C27 C 1.2697(3) -0.3172(3) 0.3842(2) 0.0226(7) Uani 1 1 d . . . H27A H 1.3316 -0.3282 0.4242 0.027 Uiso 1 1 calc R . . H27B H 1.3163 -0.2929 0.3326 0.027 Uiso 1 1 calc R . . C2 C 0.5003(4) -0.1209(4) 0.1409(2) 0.0295(8) Uani 1 1 d . . . H2 H 0.4409 -0.1308 0.1081 0.035 Uiso 1 1 calc R . . C15 C 1.0336(3) 0.0038(3) 0.12074(18) 0.0176(6) Uani 1 1 d . . . C22 C 0.8071(4) -0.0857(3) 0.5705(2) 0.0238(7) Uani 1 1 d . . . H22 H 0.8445 -0.1461 0.6125 0.029 Uiso 1 1 calc R . . C20 C 0.4530(4) 0.1927(4) 0.5349(2) 0.0307(8) Uani 1 1 d . . . H20A H 0.4454 0.2800 0.5508 0.046 Uiso 1 1 calc R . . H20B H 0.3996 0.1553 0.5771 0.046 Uiso 1 1 calc R . . H20C H 0.4127 0.2050 0.4860 0.046 Uiso 1 1 calc R . . C18 C 1.1879(4) -0.4363(3) 0.1630(2) 0.0256(7) Uani 1 1 d . . . H18A H 1.2504 -0.4852 0.1153 0.031 Uiso 1 1 calc R . . H18B H 1.1014 -0.4576 0.1734 0.031 Uiso 1 1 calc R . . C3 C 0.5878(4) -0.2327(4) 0.1792(2) 0.0287(8) Uani 1 1 d . . . H3 H 0.5913 -0.3192 0.1705 0.034 Uiso 1 1 calc R . . C25 C 0.6889(3) 0.1011(3) 0.44810(19) 0.0186(6) Uani 1 1 d . . . C28 C 1.2547(4) -0.4527(3) 0.3772(2) 0.0224(7) Uani 1 1 d . . . H28A H 1.3516 -0.5258 0.3665 0.027 Uiso 1 1 calc R . . H28B H 1.2048 -0.4750 0.4284 0.027 Uiso 1 1 calc R . . C19 C 1.2697(3) -0.4878(3) 0.23518(19) 0.0224(7) Uani 1 1 d . . . H19A H 1.3173 -0.5876 0.2347 0.027 Uiso 1 1 calc R . . H19B H 1.3454 -0.4519 0.2298 0.027 Uiso 1 1 calc R . . C21 C 0.6671(4) 0.0051(3) 0.5824(2) 0.0269(7) Uani 1 1 d . . . H21 H 0.6089 0.0064 0.6325 0.032 Uiso 1 1 calc R . . C16 C 0.9769(3) 0.1510(3) 0.09876(19) 0.0193(6) Uani 1 1 d . . . C6 C 0.5841(3) 0.0276(3) 0.19607(19) 0.0206(7) Uani 1 1 d . . . C11 C 0.9958(4) 0.3437(3) 0.0155(2) 0.0297(8) Uani 1 1 d . . . H11A H 0.8928 0.3815 0.0131 0.045 Uiso 1 1 calc R . . H11B H 1.0482 0.3607 -0.0355 0.045 Uiso 1 1 calc R . . H11C H 1.0134 0.3865 0.0578 0.045 Uiso 1 1 calc R . . C9 C 0.9301(4) -0.4384(3) 0.3784(2) 0.0217(7) Uani 1 1 d . . . H9A H 0.8769 -0.4968 0.3977 0.026 Uiso 1 1 calc R . . H9B H 0.9398 -0.3982 0.4252 0.026 Uiso 1 1 calc R . . C050 C 0.4000(4) 0.1300(4) 0.1078(3) 0.0365(9) Uani 1 1 d . . . H05A H 0.3184 0.1844 0.1463 0.055 Uiso 1 1 calc R . . H05B H 0.3647 0.1001 0.0672 0.055 Uiso 1 1 calc R . . H05C H 0.4535 0.1845 0.0826 0.055 Uiso 1 1 calc R . . OS1 O 0.5723(4) -0.5226(4) 0.0988(2) 0.0499(9) Uani 1 1 d . . . OS2 O 0.3924(5) 0.5365(5) 0.5669(3) 0.1081(18) Uani 1 1 d . . . H2C H 0.837(4) -0.247(4) 0.335(2) 0.030(11) Uiso 1 1 d . . . H1 H 1.073(5) -0.237(4) 0.170(3) 0.038(12) Uiso 1 1 d . . . H3C H 1.082(5) -0.138(5) 0.376(3) 0.052(14) Uiso 1 1 d . . . HS2 H 0.611(7) -0.578(7) 0.068(4) 0.09(2) Uiso 1 1 d . . . HS1 H 0.506(7) -0.449(7) 0.069(4) 0.10(2) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Yb1 0.01819(8) 0.01233(7) 0.01490(8) -0.00025(5) -0.00501(5) -0.00357(5) O7 0.0209(11) 0.0164(11) 0.0407(15) -0.0024(10) -0.0091(10) -0.0033(9) O6 0.0196(11) 0.0175(11) 0.0145(11) 0.0004(8) -0.0030(8) -0.0056(9) C26 0.0282(17) 0.0145(15) 0.0187(16) -0.0009(12) -0.0096(13) -0.0095(13) O8 0.0277(12) 0.0213(12) 0.0249(12) 0.0045(9) -0.0128(10) -0.0129(10) C10 0.0299(18) 0.0134(15) 0.0318(19) 0.0040(13) -0.0114(14) -0.0086(13) O3 0.0341(13) 0.0138(11) 0.0199(12) 0.0000(9) -0.0034(10) -0.0047(10) O5 0.0198(11) 0.0175(11) 0.0198(11) -0.0007(9) -0.0047(9) -0.0033(9) O10 0.0282(13) 0.0245(12) 0.0234(13) -0.0020(10) -0.0013(10) 0.0014(10) O4 0.0280(12) 0.0174(11) 0.0141(11) 0.0017(9) -0.0008(9) -0.0065(9) O1 0.0272(12) 0.0155(11) 0.0252(12) -0.0002(9) -0.0103(10) -0.0059(9) C23 0.0231(16) 0.0132(14) 0.0178(16) -0.0017(12) -0.0063(12) -0.0055(12) O11 0.0321(13) 0.0194(12) 0.0206(12) 0.0025(9) -0.0114(10) -0.0053(10) O2 0.0240(11) 0.0175(11) 0.0190(11) 0.0008(9) -0.0084(9) -0.0091(9) N1 0.0245(14) 0.0232(14) 0.0282(16) 0.0028(12) -0.0119(12) -0.0096(12) N2 0.0296(15) 0.0193(14) 0.0193(14) 0.0038(11) -0.0082(11) -0.0125(12) O9 0.077(2) 0.0221(14) 0.063(2) 0.0125(13) -0.0482(18) -0.0245(15) N6 0.0215(14) 0.0156(13) 0.0234(15) 0.0014(11) -0.0073(11) -0.0042(11) C24 0.0220(15) 0.0145(14) 0.0189(16) -0.0042(12) -0.0037(12) -0.0088(12) C7 0.0335(19) 0.0189(17) 0.0285(19) 0.0044(14) -0.0113(15) -0.0145(15) C12 0.0277(17) 0.0328(19) 0.0163(16) 0.0054(14) -0.0064(13) -0.0174(15) N5 0.0243(15) 0.0159(14) 0.0196(15) -0.0005(11) -0.0037(12) -0.0019(12) N7 0.0219(13) 0.0178(13) 0.0216(14) 0.0001(11) -0.0070(11) -0.0060(11) N4 0.0224(14) 0.0193(14) 0.0200(14) 0.0003(11) -0.0056(11) -0.0089(11) N3 0.0215(14) 0.0195(14) 0.0212(14) -0.0036(11) 0.0001(11) -0.0060(11) C13 0.0179(15) 0.0272(17) 0.0170(16) -0.0002(13) -0.0044(12) -0.0085(13) C4 0.0260(17) 0.0212(16) 0.0215(17) 0.0023(13) -0.0067(13) -0.0126(14) C14 0.0180(15) 0.0191(15) 0.0142(15) 0.0006(12) -0.0062(12) -0.0046(12) C5 0.0176(15) 0.0223(16) 0.0157(15) 0.0002(12) -0.0017(12) -0.0072(13) C17 0.0230(16) 0.0191(16) 0.0184(16) -0.0018(13) -0.0106(13) -0.0032(13) C27 0.0179(15) 0.0206(16) 0.0281(18) -0.0007(13) -0.0070(13) -0.0051(13) C2 0.0351(19) 0.0304(19) 0.032(2) 0.0020(15) -0.0160(16) -0.0183(16) C15 0.0220(15) 0.0178(15) 0.0146(15) -0.0003(12) -0.0060(12) -0.0082(13) C22 0.0339(18) 0.0225(17) 0.0162(16) 0.0031(13) -0.0063(13) -0.0123(14) C20 0.0214(17) 0.0292(19) 0.034(2) -0.0057(15) 0.0042(14) -0.0048(15) C18 0.0323(18) 0.0141(15) 0.0285(19) -0.0013(13) -0.0081(14) -0.0055(14) C3 0.038(2) 0.0255(18) 0.032(2) 0.0007(15) -0.0149(16) -0.0187(16) C25 0.0220(16) 0.0187(15) 0.0177(16) -0.0031(12) -0.0034(12) -0.0099(13) C28 0.0229(16) 0.0203(16) 0.0221(17) 0.0023(13) -0.0114(13) -0.0040(13) C19 0.0238(16) 0.0155(15) 0.0236(17) -0.0014(13) -0.0057(13) -0.0023(13) C21 0.0367(19) 0.0269(18) 0.0163(16) 0.0000(13) 0.0031(14) -0.0151(15) C16 0.0264(16) 0.0196(16) 0.0157(15) 0.0020(12) -0.0101(13) -0.0105(13) C6 0.0202(15) 0.0217(16) 0.0191(16) -0.0011(13) -0.0040(12) -0.0070(13) C11 0.044(2) 0.0187(17) 0.0294(19) 0.0068(14) -0.0116(16) -0.0147(16) C9 0.0275(17) 0.0202(16) 0.0203(17) 0.0052(13) -0.0077(13) -0.0119(14) C050 0.037(2) 0.0252(19) 0.051(3) 0.0061(17) -0.0288(19) -0.0081(16) OS1 0.0466(19) 0.0432(19) 0.0356(17) -0.0058(15) -0.0132(14) 0.0110(15) OS2 0.083(3) 0.081(3) 0.162(5) -0.038(3) -0.039(3) -0.017(3) _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_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Yb1 O6 2.279(2) . ? Yb1 O4 2.288(2) . ? Yb1 O2 2.312(2) . ? Yb1 O5 2.320(2) . ? Yb1 O8 2.361(2) . ? Yb1 O1 2.362(2) . ? Yb1 O7 2.363(2) . ? Yb1 O3 2.366(2) . ? Yb1 C25 3.074(3) . ? Yb1 C24 3.099(3) . ? Yb1 C6 3.122(3) . ? Yb1 C16 3.137(3) . ? O6 C24 1.294(4) . ? C26 O11 1.252(4) . ? C26 N6 1.326(4) . ? C26 C23 1.493(4) . ? C10 N7 1.462(4) . ? C10 C9 1.523(5) . ? O3 C16 1.253(4) . ? O5 C25 1.267(4) . ? O10 C17 1.244(4) . ? O4 C15 1.301(4) . ? O1 C6 1.259(4) . ? C23 C24 1.390(4) . ? C23 C22 1.422(4) . ? O2 C5 1.298(4) . ? N1 C6 1.357(4) . ? N1 C2 1.385(4) . ? N1 C050 1.478(4) . ? N2 C16 1.350(4) . ? N2 C12 1.381(4) . ? N2 C11 1.463(4) . ? O9 C7 1.252(4) . ? N6 C27 1.453(4) . ? C24 C25 1.474(4) . ? C7 N4 1.331(4) . ? C7 C4 1.486(4) . ? C12 C13 1.350(5) . ? N5 C17 1.339(4) . ? N5 C18 1.454(4) . ? N7 C19 1.459(4) . ? N7 C28 1.468(4) . ? N4 C9 1.468(4) . ? N3 C25 1.347(4) . ? N3 C21 1.393(4) . ? N3 C20 1.467(4) . ? C13 C14 1.425(4) . ? C4 C5 1.382(4) . ? C4 C3 1.431(5) . ? C14 C15 1.389(4) . ? C14 C17 1.482(4) . ? C5 C6 1.469(4) . ? C27 C28 1.524(4) . ? C2 C3 1.347(5) . ? C15 C16 1.464(4) . ? C22 C21 1.342(5) . ? C18 C19 1.527(5) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O6 Yb1 O4 79.79(8) . . ? O6 Yb1 O2 71.98(7) . . ? O4 Yb1 O2 72.90(8) . . ? O6 Yb1 O5 70.10(7) . . ? O4 Yb1 O5 143.77(7) . . ? O2 Yb1 O5 78.85(8) . . ? O6 Yb1 O8 71.73(7) . . ? O4 Yb1 O8 100.94(8) . . ? O2 Yb1 O8 143.71(8) . . ? O5 Yb1 O8 88.56(8) . . ? O6 Yb1 O1 139.41(7) . . ? O4 Yb1 O1 94.60(8) . . ? O2 Yb1 O1 68.00(7) . . ? O5 Yb1 O1 95.41(8) . . ? O8 Yb1 O1 147.76(8) . . ? O6 Yb1 O7 133.45(8) . . ? O4 Yb1 O7 139.70(8) . . ? O2 Yb1 O7 131.78(8) . . ? O5 Yb1 O7 76.47(8) . . ? O8 Yb1 O7 76.06(8) . . ? O1 Yb1 O7 73.86(8) . . ? O6 Yb1 O3 126.41(8) . . ? O4 Yb1 O3 68.34(7) . . ? O2 Yb1 O3 131.22(8) . . ? O5 Yb1 O3 146.98(7) . . ? O8 Yb1 O3 73.48(8) . . ? O1 Yb1 O3 86.58(8) . . ? O7 Yb1 O3 72.46(8) . . ? O6 Yb1 C25 48.94(8) . . ? O4 Yb1 C25 122.83(8) . . ? O2 Yb1 C25 68.89(8) . . ? O5 Yb1 C25 21.98(8) . . ? O8 Yb1 C25 86.89(8) . . ? O1 Yb1 C25 108.10(8) . . ? O7 Yb1 C25 97.34(8) . . ? O3 Yb1 C25 159.46(8) . . ? O6 Yb1 C24 21.70(8) . . ? O4 Yb1 C24 97.43(8) . . ? O2 Yb1 C24 65.47(7) . . ? O5 Yb1 C24 49.38(7) . . ? O8 Yb1 C24 80.44(8) . . ? O1 Yb1 C24 125.51(8) . . ? O7 Yb1 C24 120.96(8) . . ? O3 Yb1 C24 146.71(8) . . ? C25 Yb1 C24 27.63(8) . . ? O6 Yb1 C6 119.56(8) . . ? O4 Yb1 C6 82.28(8) . . ? O2 Yb1 C6 47.59(8) . . ? O5 Yb1 C6 95.19(8) . . ? O8 Yb1 C6 168.70(8) . . ? O1 Yb1 C6 21.29(8) . . ? O7 Yb1 C6 94.43(8) . . ? O3 Yb1 C6 98.04(8) . . ? C25 Yb1 C6 100.54(8) . . ? C24 Yb1 C6 110.04(8) . . ? O6 Yb1 C16 112.22(8) . . ? O4 Yb1 C16 47.61(8) . . ? O2 Yb1 C16 115.40(8) . . ? O5 Yb1 C16 165.73(8) . . ? O8 Yb1 C16 79.23(8) . . ? O1 Yb1 C16 91.15(8) . . ? O7 Yb1 C16 93.29(8) . . ? O3 Yb1 C16 20.87(8) . . ? C25 Yb1 C16 159.96(8) . . ? C24 Yb1 C16 133.92(8) . . ? C6 Yb1 C16 95.50(8) . . ? C24 O6 Yb1 117.66(18) . . ? O11 C26 N6 122.2(3) . . ? O11 C26 C23 120.9(3) . . ? N6 C26 C23 116.8(3) . . ? N7 C10 C9 111.4(3) . . ? C16 O3 Yb1 116.86(19) . . ? C25 O5 Yb1 114.76(19) . . ? C15 O4 Yb1 120.75(18) . . ? C6 O1 Yb1 115.8(2) . . ? C24 C23 C22 119.0(3) . . ? C24 C23 C26 121.5(3) . . ? C22 C23 C26 119.5(3) . . ? C5 O2 Yb1 118.46(19) . . ? C6 N1 C2 121.6(3) . . ? C6 N1 C050 118.2(3) . . ? C2 N1 C050 120.1(3) . . ? C16 N2 C12 121.9(3) . . ? C16 N2 C11 117.9(3) . . ? C12 N2 C11 120.2(3) . . ? C26 N6 C27 122.8(3) . . ? O6 C24 C23 126.7(3) . . ? O6 C24 C25 114.7(3) . . ? C23 C24 C25 118.6(3) . . ? O6 C24 Yb1 40.64(14) . . ? C23 C24 Yb1 163.4(2) . . ? C25 C24 Yb1 75.26(17) . . ? O9 C7 N4 122.3(3) . . ? O9 C7 C4 121.0(3) . . ? N4 C7 C4 116.7(3) . . ? C13 C12 N2 120.5(3) . . ? C17 N5 C18 122.3(3) . . ? C19 N7 C10 112.1(3) . . ? C19 N7 C28 111.6(2) . . ? C10 N7 C28 111.0(3) . . ? C7 N4 C9 123.3(3) . . ? C25 N3 C21 121.4(3) . . ? C25 N3 C20 118.7(3) . . ? C21 N3 C20 119.9(3) . . ? C12 C13 C14 121.1(3) . . ? C5 C4 C3 118.5(3) . . ? C5 C4 C7 122.4(3) . . ? C3 C4 C7 119.1(3) . . ? C15 C14 C13 118.7(3) . . ? C15 C14 C17 123.3(3) . . ? C13 C14 C17 118.0(3) . . ? O2 C5 C4 127.1(3) . . ? O2 C5 C6 113.4(3) . . ? C4 C5 C6 119.5(3) . . ? O2 C5 Yb1 40.26(14) . . ? C4 C5 Yb1 159.3(2) . . ? C6 C5 Yb1 75.61(17) . . ? O10 C17 N5 122.6(3) . . ? O10 C17 C14 120.1(3) . . ? N5 C17 C14 117.3(3) . . ? N6 C27 C28 111.1(3) . . ? C3 C2 N1 121.0(3) . . ? O4 C15 C14 127.0(3) . . ? O4 C15 C16 114.2(3) . . ? C14 C15 C16 118.9(3) . . ? O4 C15 Yb1 38.51(14) . . ? C14 C15 Yb1 165.3(2) . . ? C16 C15 Yb1 75.77(17) . . ? C21 C22 C23 120.9(3) . . ? N5 C18 C19 113.4(3) . . ? C2 C3 C4 120.8(3) . . ? O5 C25 N3 121.5(3) . . ? O5 C25 C24 119.6(3) . . ? N3 C25 C24 118.9(3) . . ? O5 C25 Yb1 43.26(14) . . ? N3 C25 Yb1 161.9(2) . . ? C24 C25 Yb1 77.11(17) . . ? N7 C28 C27 112.1(3) . . ? N7 C19 C18 112.4(3) . . ? C22 C21 N3 121.1(3) . . ? O3 C16 N2 121.8(3) . . ? O3 C16 C15 119.4(3) . . ? N2 C16 C15 118.8(3) . . ? O3 C16 Yb1 42.28(15) . . ? N2 C16 Yb1 163.0(2) . . ? C15 C16 Yb1 77.34(17) . . ? O1 C6 N1 122.2(3) . . ? O1 C6 C5 119.7(3) . . ? N1 C6 C5 118.1(3) . . ? O1 C6 Yb1 42.92(15) . . ? N1 C6 Yb1 163.3(2) . . ? C5 C6 Yb1 77.29(17) . . ? N4 C9 C10 112.4(3) . . ? _diffrn_measured_fraction_theta_max 0.973 _diffrn_reflns_theta_full 26.40 _diffrn_measured_fraction_theta_full 0.973 _refine_diff_density_max 0.920 _refine_diff_density_min -0.723 _refine_diff_density_rms 0.100