data_cov28n _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C52 H46 B Co F15 N3 O2' _chemical_formula_weight 1099.66 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' 'B' 'B' 0.0013 0.0007 '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' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 18.2816(7) _cell_length_b 13.9935(5) _cell_length_c 18.7573(7) _cell_angle_alpha 90.00 _cell_angle_beta 96.3120(10) _cell_angle_gamma 90.00 _cell_volume 4769.5(3) _cell_formula_units_Z 4 _cell_measurement_temperature 117(1) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour dark-brown _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas n/a _exptl_crystal_density_diffrn 1.531 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2248 _exptl_absorpt_coefficient_mu 0.465 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details 'SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 117(1) _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 'CCD area detector' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26459 _diffrn_reflns_av_R_equivalents 0.0306 _diffrn_reflns_av_sigmaI/netI 0.0385 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.82 _diffrn_reflns_theta_max 26.41 _reflns_number_total 9376 _reflns_number_gt 7481 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _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^)+(0.0611P)^2^+2.2941P] 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 9376 _refine_ls_number_parameters 694 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.0609 _refine_ls_R_factor_gt 0.0456 _refine_ls_wR_factor_ref 0.1183 _refine_ls_wR_factor_gt 0.1116 _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_restrained_S_all 1.071 _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 B B 0.14197(16) 0.1555(2) 0.17274(15) 0.0241(6) Uani 1 1 d . . . C1 C 0.49678(13) 0.89844(18) 0.82468(13) 0.0254(5) Uani 1 1 d . . . C2 C 0.56450(14) 0.8516(2) 0.82843(16) 0.0352(7) Uani 1 1 d . . . H2 H 0.6012 0.8757 0.8028 0.042 Uiso 1 1 calc R . . C3 C 0.57818(15) 0.7705(2) 0.86938(17) 0.0408(7) Uani 1 1 d . . . H3 H 0.6234 0.7398 0.8704 0.049 Uiso 1 1 calc R . . C4 C 0.52501(15) 0.7347(2) 0.90884(16) 0.0357(7) Uani 1 1 d . . . H4 H 0.5353 0.6807 0.9370 0.043 Uiso 1 1 calc R . . C5 C 0.45607(13) 0.77804(18) 0.90729(13) 0.0247(5) Uani 1 1 d . . . C6 C 0.44306(12) 0.86048(17) 0.86483(13) 0.0211(5) Uani 1 1 d . . . C7 C 0.35141(13) 0.96344(17) 0.90611(12) 0.0215(5) Uani 1 1 d . . . C8 C 0.27641(13) 0.99643(17) 0.89385(12) 0.0220(5) Uani 1 1 d . . . C9 C 0.24129(15) 1.0540(2) 0.93941(14) 0.0349(6) Uani 1 1 d . . . H9 H 0.2665 1.0749 0.9824 0.042 Uiso 1 1 calc R . . C10 C 0.16941(16) 1.0805(2) 0.92145(16) 0.0419(8) Uani 1 1 d . . . H10 H 0.1448 1.1168 0.9528 0.050 Uiso 1 1 calc R . . C11 C 0.13426(14) 1.05198(19) 0.85577(14) 0.0300(6) Uani 1 1 d . . . H11 H 0.0866 1.0729 0.8414 0.036 Uiso 1 1 calc R . . C12 C 0.16930(13) 0.99275(16) 0.81135(13) 0.0206(5) Uani 1 1 d . . . C13 C 0.12881(12) 0.96269(16) 0.74164(13) 0.0206(5) Uani 1 1 d . . . C14 C 0.20936(13) 0.84611(16) 0.70898(12) 0.0201(5) Uani 1 1 d . . . C15 C 0.27030(13) 0.87615(17) 0.67227(12) 0.0223(5) Uani 1 1 d . . . C16 C 0.33744(14) 0.82915(18) 0.69078(13) 0.0242(5) Uani 1 1 d . . . H16 H 0.3791 0.8487 0.6704 0.029 Uiso 1 1 calc R . . C17 C 0.34260(14) 0.75283(17) 0.73977(13) 0.0240(5) Uani 1 1 d . . . H17 H 0.3882 0.7245 0.7526 0.029 Uiso 1 1 calc R . . C18 C 0.28091(13) 0.71816(17) 0.76994(13) 0.0233(5) Uani 1 1 d . . . H18 H 0.2849 0.6638 0.7986 0.028 Uiso 1 1 calc R . . C19 C 0.21287(13) 0.76575(17) 0.75674(12) 0.0211(5) Uani 1 1 d . . . C20 C 0.48347(14) 0.98904(19) 0.78093(14) 0.0287(6) Uani 1 1 d D . . H20 H 0.4299(2) 0.9946(18) 0.7705(13) 0.024(7) Uiso 1 1 d D . . C21 C 0.51854(16) 0.9864(2) 0.71030(16) 0.0404(7) Uani 1 1 d . . . H21A H 0.5711 0.9901 0.7204 0.061 Uiso 1 1 calc R . . H21B H 0.5011 1.0396 0.6809 0.061 Uiso 1 1 calc R . . H21C H 0.5054 0.9278 0.6855 0.061 Uiso 1 1 calc R . . C22 C 0.51106(16) 1.0762(2) 0.82487(17) 0.0402(7) Uani 1 1 d . . . H22A H 0.4879 1.0783 0.8684 0.060 Uiso 1 1 calc R . . H22B H 0.4992 1.1331 0.7975 0.060 Uiso 1 1 calc R . . H22C H 0.5634 1.0718 0.8364 0.060 Uiso 1 1 calc R . . C23 C 0.39801(14) 0.73481(18) 0.94951(13) 0.0257(5) Uani 1 1 d D . . H23 H 0.3501(6) 0.7636(15) 0.9337(12) 0.014(6) Uiso 1 1 d D . . C24 C 0.41528(16) 0.7550(2) 1.02953(14) 0.0347(6) Uani 1 1 d . . . H24A H 0.4606 0.7243 1.0472 0.052 Uiso 1 1 calc R . . H24B H 0.3762 0.7307 1.0547 0.052 Uiso 1 1 calc R . . H24C H 0.4198 0.8227 1.0371 0.052 Uiso 1 1 calc R . . C25 C 0.39025(16) 0.62759(18) 0.93567(15) 0.0329(6) Uani 1 1 d . . . H25A H 0.3862 0.6158 0.8850 0.049 Uiso 1 1 calc R . . H25B H 0.3469 0.6044 0.9547 0.049 Uiso 1 1 calc R . . H25C H 0.4327 0.5951 0.9586 0.049 Uiso 1 1 calc R . . C26 C 0.26032(14) 0.95673(18) 0.61772(13) 0.0248(5) Uani 1 1 d D . . H26 H 0.2269(11) 1.0022(14) 0.6371(13) 0.024(7) Uiso 1 1 d D . . C27 C 0.33175(15) 1.00824(19) 0.60621(14) 0.0319(6) Uani 1 1 d . . . H27A H 0.3544 1.0323 0.6513 0.048 Uiso 1 1 calc R . . H27B H 0.3211 1.0604 0.5735 0.048 Uiso 1 1 calc R . . H27C H 0.3646 0.9644 0.5867 0.048 Uiso 1 1 calc R . . C28 C 0.22103(15) 0.91615(19) 0.54782(14) 0.0305(6) Uani 1 1 d . . . H28A H 0.2496 0.8648 0.5312 0.046 Uiso 1 1 calc R . . H28B H 0.2154 0.9656 0.5121 0.046 Uiso 1 1 calc R . . H28C H 0.1734 0.8926 0.5563 0.046 Uiso 1 1 calc R . . C29 C 0.14656(13) 0.73677(17) 0.79388(13) 0.0224(5) Uani 1 1 d D . . H29 H 0.1222(12) 0.7958(9) 0.8064(12) 0.018(6) Uiso 1 1 d D . . C30 C 0.09274(14) 0.68047(19) 0.74048(14) 0.0280(6) Uani 1 1 d . . . H30A H 0.0809 0.7178 0.6978 0.042 Uiso 1 1 calc R . . H30B H 0.0486 0.6671 0.7620 0.042 Uiso 1 1 calc R . . H30C H 0.1152 0.6215 0.7284 0.042 Uiso 1 1 calc R . . C31 C 0.16638(14) 0.68081(19) 0.86314(13) 0.0281(6) Uani 1 1 d . . . H31A H 0.1864 0.6199 0.8521 0.042 Uiso 1 1 calc R . . H31B H 0.1230 0.6715 0.8868 0.042 Uiso 1 1 calc R . . H31C H 0.2022 0.7159 0.8940 0.042 Uiso 1 1 calc R . . C32 C 0.4031(3) 1.0755(4) 0.9931(4) 0.128(2) Uani 1 1 d . . . H32A H 0.3849 1.1209 0.9571 0.192 Uiso 1 1 calc R . . H32B H 0.4530 1.0910 1.0106 0.192 Uiso 1 1 calc R . . H32C H 0.3731 1.0774 1.0320 0.192 Uiso 1 1 calc R . . C33 C 0.02328(14) 0.99022(19) 0.66112(14) 0.0301(6) Uani 1 1 d . . . H33A H 0.0513 1.0027 0.6217 0.045 Uiso 1 1 calc R . . H33B H -0.0206 1.0284 0.6561 0.045 Uiso 1 1 calc R . . H33C H 0.0102 0.9238 0.6614 0.045 Uiso 1 1 calc R . . C34 C 0.07960(15) 0.1638(2) 0.22850(15) 0.0328(6) Uani 1 1 d . . . H34A H 0.0796 0.2274 0.2476 0.049 Uiso 1 1 calc R . . H34B H 0.0905 0.1189 0.2669 0.049 Uiso 1 1 calc R . . H34C H 0.0321 0.1498 0.2037 0.049 Uiso 1 1 calc R . . C35 C 0.13106(14) 0.23125(18) 0.10475(13) 0.0258(5) Uani 1 1 d . . . C36 C 0.06701(15) 0.28041(19) 0.08073(14) 0.0304(6) Uani 1 1 d . . . C37 C 0.05971(17) 0.3411(2) 0.02199(16) 0.0391(7) Uani 1 1 d . . . C38 C 0.11871(19) 0.3557(2) -0.01611(15) 0.0428(8) Uani 1 1 d . . . C39 C 0.18324(17) 0.3088(2) 0.00450(14) 0.0379(7) Uani 1 1 d . . . C40 C 0.18735(15) 0.24778(18) 0.06258(13) 0.0275(6) Uani 1 1 d . . . C41 C 0.21842(13) 0.17659(17) 0.22629(13) 0.0219(5) Uani 1 1 d . . . C42 C 0.25351(14) 0.26417(17) 0.23633(13) 0.0235(5) Uani 1 1 d . . . C43 C 0.31124(14) 0.28315(18) 0.28790(13) 0.0253(5) Uani 1 1 d . . . C44 C 0.33665(14) 0.2132(2) 0.33535(14) 0.0291(6) Uani 1 1 d . . . C45 C 0.30292(15) 0.12512(18) 0.32990(14) 0.0294(6) Uani 1 1 d . . . C46 C 0.24637(14) 0.10921(17) 0.27693(14) 0.0259(5) Uani 1 1 d . . . C47 C 0.14190(14) 0.04961(18) 0.13185(13) 0.0255(5) Uani 1 1 d . . . C48 C 0.07569(14) 0.00923(18) 0.10204(14) 0.0280(6) Uani 1 1 d . . . C49 C 0.06993(15) -0.07668(19) 0.06572(14) 0.0319(6) Uani 1 1 d . . . C50 C 0.13245(17) -0.12689(19) 0.05528(15) 0.0359(7) Uani 1 1 d . . . C51 C 0.19918(16) -0.0903(2) 0.08248(16) 0.0353(6) Uani 1 1 d . . . C52 C 0.20269(14) -0.00451(18) 0.11968(15) 0.0294(6) Uani 1 1 d . . . Co Co 0.293931(17) 0.86965(2) 0.786336(16) 0.01828(9) Uani 1 1 d . . . F1 F 0.00602(9) 0.27163(12) 0.11517(9) 0.0416(4) Uani 1 1 d . . . F2 F -0.00468(11) 0.38542(13) 0.00246(10) 0.0554(5) Uani 1 1 d . . . F3 F 0.11338(12) 0.41518(15) -0.07281(10) 0.0654(6) Uani 1 1 d . . . F4 F 0.24165(11) 0.32107(15) -0.03256(9) 0.0563(5) Uani 1 1 d . . . F5 F 0.25283(8) 0.20246(11) 0.07852(8) 0.0346(4) Uani 1 1 d . . . F6 F 0.23074(9) 0.33993(10) 0.19434(8) 0.0312(3) Uani 1 1 d . . . F7 F 0.34285(9) 0.37044(10) 0.29204(8) 0.0365(4) Uani 1 1 d . . . F8 F 0.39279(9) 0.23040(13) 0.38650(9) 0.0447(4) Uani 1 1 d . . . F9 F 0.32616(9) 0.05557(12) 0.37697(9) 0.0424(4) Uani 1 1 d . . . F10 F 0.21624(9) 0.02030(10) 0.27617(9) 0.0374(4) Uani 1 1 d . . . F11 F 0.01127(8) 0.05468(11) 0.10707(8) 0.0362(4) Uani 1 1 d . . . F12 F 0.00319(9) -0.11239(12) 0.04127(9) 0.0436(4) Uani 1 1 d . . . F13 F 0.12774(11) -0.21031(12) 0.01944(10) 0.0520(5) Uani 1 1 d . . . F14 F 0.26168(10) -0.13773(12) 0.07235(10) 0.0510(5) Uani 1 1 d . . . F15 F 0.27177(8) 0.02472(11) 0.14338(9) 0.0387(4) Uani 1 1 d . . . N1 N 0.37029(10) 0.90279(14) 0.85835(10) 0.0195(4) Uani 1 1 d . . . N2 N 0.24010(10) 0.96100(14) 0.83074(10) 0.0195(4) Uani 1 1 d . . . N3 N 0.14474(11) 0.89960(14) 0.69737(10) 0.0217(4) Uani 1 1 d . . . O1 O 0.40068(13) 0.98923(19) 0.96502(12) 0.0555(6) Uani 1 1 d . . . O2 O 0.06679(9) 1.01395(12) 0.72746(9) 0.0262(4) Uani 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 B 0.0243(15) 0.0216(14) 0.0270(15) -0.0017(12) 0.0057(11) 0.0004(11) C1 0.0188(12) 0.0315(14) 0.0259(13) 0.0015(11) 0.0022(10) -0.0043(10) C2 0.0187(13) 0.0450(17) 0.0433(16) 0.0092(13) 0.0089(11) -0.0044(12) C3 0.0189(14) 0.0494(18) 0.0546(19) 0.0151(15) 0.0063(13) 0.0081(12) C4 0.0248(14) 0.0370(16) 0.0450(17) 0.0140(13) 0.0027(12) 0.0032(12) C5 0.0206(12) 0.0289(13) 0.0245(13) 0.0003(11) 0.0014(10) -0.0026(10) C6 0.0150(11) 0.0252(12) 0.0228(12) -0.0020(10) 0.0013(9) -0.0022(9) C7 0.0215(12) 0.0246(13) 0.0186(12) -0.0004(10) 0.0030(9) -0.0063(10) C8 0.0251(13) 0.0229(12) 0.0184(12) -0.0017(10) 0.0036(10) -0.0021(10) C9 0.0321(15) 0.0458(17) 0.0262(14) -0.0162(12) 0.0001(11) 0.0028(13) C10 0.0325(16) 0.0555(19) 0.0377(16) -0.0258(15) 0.0033(12) 0.0092(14) C11 0.0215(13) 0.0352(15) 0.0332(14) -0.0106(12) 0.0029(11) 0.0053(11) C12 0.0197(12) 0.0194(12) 0.0227(12) -0.0019(10) 0.0026(9) -0.0008(9) C13 0.0174(12) 0.0204(12) 0.0242(12) 0.0008(10) 0.0036(9) 0.0001(9) C14 0.0211(12) 0.0206(12) 0.0184(12) -0.0096(9) 0.0005(9) -0.0025(9) C15 0.0249(13) 0.0242(13) 0.0178(11) -0.0087(10) 0.0025(9) -0.0033(10) C16 0.0235(13) 0.0280(13) 0.0223(12) -0.0072(10) 0.0080(10) -0.0028(10) C17 0.0214(13) 0.0243(13) 0.0266(13) -0.0075(10) 0.0034(10) 0.0049(10) C18 0.0247(13) 0.0201(12) 0.0253(13) -0.0051(10) 0.0042(10) 0.0001(10) C19 0.0233(13) 0.0207(12) 0.0196(12) -0.0073(10) 0.0034(9) -0.0021(9) C20 0.0216(13) 0.0331(14) 0.0322(14) 0.0052(12) 0.0064(11) -0.0038(11) C21 0.0336(16) 0.0509(18) 0.0391(16) 0.0151(14) 0.0148(13) 0.0008(13) C22 0.0360(17) 0.0358(16) 0.0488(18) 0.0020(14) 0.0049(14) -0.0082(13) C23 0.0227(13) 0.0294(13) 0.0254(13) 0.0041(11) 0.0050(10) -0.0005(10) C24 0.0398(16) 0.0374(16) 0.0271(14) 0.0015(12) 0.0054(12) -0.0066(12) C25 0.0345(15) 0.0300(14) 0.0354(15) 0.0008(12) 0.0095(12) -0.0022(12) C26 0.0282(14) 0.0252(13) 0.0217(12) -0.0030(10) 0.0057(10) -0.0016(10) C27 0.0400(16) 0.0292(14) 0.0269(14) 0.0003(11) 0.0053(12) -0.0058(12) C28 0.0345(15) 0.0315(15) 0.0251(13) -0.0020(11) 0.0013(11) -0.0026(11) C29 0.0216(12) 0.0215(12) 0.0246(12) -0.0047(10) 0.0039(10) -0.0002(10) C30 0.0242(13) 0.0297(14) 0.0302(14) -0.0031(11) 0.0036(11) -0.0047(11) C31 0.0255(13) 0.0339(14) 0.0254(13) 0.0002(11) 0.0059(10) 0.0021(11) C32 0.114(5) 0.108(5) 0.155(6) -0.049(4) -0.015(4) -0.021(4) C33 0.0251(13) 0.0322(14) 0.0307(14) 0.0001(11) -0.0067(11) 0.0036(11) C34 0.0272(14) 0.0418(16) 0.0313(14) -0.0015(12) 0.0114(11) -0.0001(12) C35 0.0297(14) 0.0223(12) 0.0247(13) -0.0055(10) -0.0003(10) -0.0037(10) C36 0.0330(15) 0.0274(14) 0.0301(14) -0.0034(11) 0.0001(11) -0.0007(11) C37 0.0459(18) 0.0285(15) 0.0388(16) 0.0008(12) -0.0142(14) 0.0000(13) C38 0.058(2) 0.0392(17) 0.0269(15) 0.0077(13) -0.0142(14) -0.0133(15) C39 0.0455(18) 0.0480(18) 0.0199(13) -0.0010(12) 0.0021(12) -0.0180(14) C40 0.0309(14) 0.0289(14) 0.0222(13) -0.0061(11) 0.0010(10) -0.0044(11) C41 0.0226(12) 0.0212(12) 0.0234(12) 0.0005(10) 0.0103(10) 0.0015(10) C42 0.0313(14) 0.0186(12) 0.0218(12) 0.0010(10) 0.0086(10) 0.0016(10) C43 0.0280(14) 0.0231(13) 0.0260(13) -0.0059(10) 0.0075(11) -0.0025(10) C44 0.0247(13) 0.0362(15) 0.0262(13) -0.0022(11) 0.0017(11) 0.0043(11) C45 0.0320(14) 0.0285(14) 0.0287(14) 0.0079(11) 0.0087(11) 0.0093(11) C46 0.0286(14) 0.0193(12) 0.0316(14) 0.0017(10) 0.0116(11) 0.0003(10) C47 0.0282(14) 0.0233(13) 0.0258(13) 0.0027(10) 0.0059(10) -0.0019(10) C48 0.0302(14) 0.0265(13) 0.0275(14) 0.0046(11) 0.0039(11) 0.0019(11) C49 0.0345(15) 0.0273(14) 0.0318(14) 0.0004(11) -0.0050(12) -0.0063(11) C50 0.0504(18) 0.0238(14) 0.0328(15) -0.0064(12) 0.0017(13) -0.0022(12) C51 0.0372(16) 0.0290(14) 0.0409(16) -0.0043(12) 0.0096(13) 0.0082(12) C52 0.0274(14) 0.0255(13) 0.0359(15) -0.0032(11) 0.0061(11) -0.0030(11) Co 0.01605(16) 0.02055(17) 0.01852(17) -0.00370(13) 0.00313(12) -0.00017(12) F1 0.0291(9) 0.0438(10) 0.0523(10) 0.0046(8) 0.0068(8) 0.0113(7) F2 0.0562(12) 0.0438(11) 0.0598(12) 0.0096(9) -0.0218(9) 0.0083(9) F3 0.0861(15) 0.0672(13) 0.0369(10) 0.0257(9) -0.0205(10) -0.0230(11) F4 0.0608(12) 0.0827(14) 0.0271(9) 0.0066(9) 0.0129(8) -0.0268(11) F5 0.0305(8) 0.0462(9) 0.0287(8) -0.0025(7) 0.0109(6) -0.0017(7) F6 0.0457(9) 0.0193(7) 0.0274(8) 0.0044(6) -0.0021(7) -0.0022(6) F7 0.0402(9) 0.0284(8) 0.0399(9) -0.0056(7) 0.0000(7) -0.0089(7) F8 0.0381(10) 0.0537(11) 0.0392(9) -0.0015(8) -0.0093(8) 0.0020(8) F9 0.0455(10) 0.0392(9) 0.0415(9) 0.0153(8) 0.0005(8) 0.0132(8) F10 0.0451(10) 0.0210(8) 0.0460(10) 0.0098(7) 0.0049(8) -0.0049(7) F11 0.0259(8) 0.0365(9) 0.0455(9) -0.0029(7) 0.0004(7) 0.0012(7) F12 0.0410(10) 0.0396(10) 0.0472(10) -0.0075(8) -0.0089(8) -0.0107(8) F13 0.0662(13) 0.0308(9) 0.0571(11) -0.0187(8) -0.0015(9) -0.0001(8) F14 0.0450(11) 0.0402(10) 0.0689(12) -0.0192(9) 0.0112(9) 0.0123(8) F15 0.0248(8) 0.0345(9) 0.0579(11) -0.0132(8) 0.0097(7) -0.0004(6) N1 0.0190(10) 0.0211(10) 0.0190(10) 0.0006(8) 0.0042(8) -0.0017(8) N2 0.0198(10) 0.0206(10) 0.0181(10) -0.0034(8) 0.0026(8) -0.0022(8) N3 0.0205(11) 0.0234(10) 0.0210(10) -0.0019(8) 0.0015(8) 0.0005(8) O1 0.0449(14) 0.0713(17) 0.0477(14) 0.0015(12) -0.0057(11) -0.0043(12) O2 0.0218(9) 0.0281(9) 0.0276(9) -0.0032(7) -0.0020(7) 0.0051(7) _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 B C34 1.634(4) . ? B C35 1.653(4) . ? B C41 1.656(4) . ? B C47 1.669(4) . ? C1 C2 1.396(4) . ? C1 C6 1.406(3) . ? C1 C20 1.515(4) . ? C2 C3 1.378(4) . ? C3 C4 1.379(4) . ? C4 C5 1.396(4) . ? C5 C6 1.407(3) . ? C5 C23 1.518(3) . ? C6 N1 1.449(3) . ? C7 N1 1.308(3) . ? C7 O1 1.394(3) . ? C7 C8 1.441(3) . ? C8 C9 1.383(4) . ? C8 N2 1.384(3) . ? C9 C10 1.371(4) . ? C10 C11 1.384(4) . ? C11 C12 1.382(3) . ? C12 N2 1.379(3) . ? C12 C13 1.490(3) . ? C13 N3 1.268(3) . ? C13 O2 1.343(3) . ? C14 N3 1.395(3) . ? C14 C19 1.435(3) . ? C14 C15 1.435(3) . ? C14 Co 2.028(2) . ? C15 C16 1.402(3) . ? C15 C26 1.520(3) . ? C15 Co 2.138(2) . ? C16 C17 1.405(4) . ? C16 Co 2.117(2) . ? C17 C18 1.403(3) . ? C17 Co 2.097(2) . ? C18 C19 1.409(3) . ? C18 Co 2.152(2) . ? C19 C29 1.518(3) . ? C19 Co 2.107(2) . ? C20 C22 1.526(4) . ? C20 C21 1.535(4) . ? C23 C24 1.526(4) . ? C23 C25 1.527(4) . ? C26 C27 1.528(4) . ? C26 C28 1.533(3) . ? C29 C31 1.526(3) . ? C29 C30 1.541(3) . ? C32 O1 1.315(6) . ? C33 O2 1.440(3) . ? C35 C40 1.385(4) . ? C35 C36 1.390(4) . ? C36 F1 1.354(3) . ? C36 C37 1.386(4) . ? C37 F2 1.345(3) . ? C37 C38 1.373(5) . ? C38 F3 1.346(3) . ? C38 C39 1.368(4) . ? C39 F4 1.348(3) . ? C39 C40 1.379(4) . ? C40 F5 1.359(3) . ? C41 C42 1.386(3) . ? C41 C46 1.395(3) . ? C42 F6 1.358(3) . ? C42 C43 1.377(3) . ? C43 F7 1.350(3) . ? C43 C44 1.370(4) . ? C44 F8 1.348(3) . ? C44 C45 1.376(4) . ? C45 F9 1.351(3) . ? C45 C46 1.371(4) . ? C46 F10 1.360(3) . ? C47 C52 1.384(4) . ? C47 C48 1.396(4) . ? C48 F11 1.351(3) . ? C48 C49 1.380(4) . ? C49 F12 1.351(3) . ? C49 C50 1.374(4) . ? C50 F13 1.345(3) . ? C50 C51 1.369(4) . ? C51 F14 1.353(3) . ? C51 C52 1.387(4) . ? C52 F15 1.355(3) . ? Co N2 1.8646(19) . ? Co N1 1.8905(19) . ? 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 C34 B C35 114.5(2) . . ? C34 B C41 101.6(2) . . ? C35 B C41 112.1(2) . . ? C34 B C47 113.1(2) . . ? C35 B C47 102.76(19) . . ? C41 B C47 113.3(2) . . ? C2 C1 C6 117.6(2) . . ? C2 C1 C20 120.6(2) . . ? C6 C1 C20 121.7(2) . . ? C3 C2 C1 121.4(2) . . ? C2 C3 C4 120.2(3) . . ? C3 C4 C5 121.3(3) . . ? C4 C5 C6 117.6(2) . . ? C4 C5 C23 119.8(2) . . ? C6 C5 C23 122.5(2) . . ? C1 C6 C5 121.9(2) . . ? C1 C6 N1 119.3(2) . . ? C5 C6 N1 118.6(2) . . ? N1 C7 O1 121.0(2) . . ? N1 C7 C8 114.6(2) . . ? O1 C7 C8 124.3(2) . . ? C9 C8 N2 121.7(2) . . ? C9 C8 C7 125.9(2) . . ? N2 C8 C7 112.4(2) . . ? C10 C9 C8 120.2(2) . . ? C9 C10 C11 118.7(3) . . ? C12 C11 C10 120.6(2) . . ? N2 C12 C11 121.2(2) . . ? N2 C12 C13 120.1(2) . . ? C11 C12 C13 118.7(2) . . ? N3 C13 O2 119.5(2) . . ? N3 C13 C12 130.0(2) . . ? O2 C13 C12 110.49(19) . . ? N3 C14 C19 119.8(2) . . ? N3 C14 C15 117.2(2) . . ? C19 C14 C15 123.0(2) . . ? N3 C14 Co 126.19(16) . . ? C19 C14 Co 72.68(13) . . ? C15 C14 Co 74.02(13) . . ? C16 C15 C14 116.6(2) . . ? C16 C15 C26 123.5(2) . . ? C14 C15 C26 119.9(2) . . ? C16 C15 Co 69.95(14) . . ? C14 C15 Co 65.77(13) . . ? C26 C15 Co 134.55(16) . . ? C15 C16 C17 120.8(2) . . ? C15 C16 Co 71.57(14) . . ? C17 C16 Co 69.77(13) . . ? C18 C17 C16 121.8(2) . . ? C18 C17 Co 72.83(14) . . ? C16 C17 Co 71.27(14) . . ? C17 C18 C19 119.9(2) . . ? C17 C18 Co 68.63(14) . . ? C19 C18 Co 68.96(13) . . ? C18 C19 C14 117.3(2) . . ? C18 C19 C29 121.8(2) . . ? C14 C19 C29 120.9(2) . . ? C18 C19 Co 72.42(14) . . ? C14 C19 Co 66.76(13) . . ? C29 C19 Co 129.60(16) . . ? C1 C20 C22 110.6(2) . . ? C1 C20 C21 113.0(2) . . ? C22 C20 C21 109.9(2) . . ? C5 C23 C24 111.0(2) . . ? C5 C23 C25 111.1(2) . . ? C24 C23 C25 110.8(2) . . ? C15 C26 C27 113.8(2) . . ? C15 C26 C28 108.1(2) . . ? C27 C26 C28 112.4(2) . . ? C19 C29 C31 113.6(2) . . ? C19 C29 C30 108.85(19) . . ? C31 C29 C30 111.5(2) . . ? C40 C35 C36 112.6(2) . . ? C40 C35 B 120.9(2) . . ? C36 C35 B 126.4(2) . . ? F1 C36 C37 115.0(2) . . ? F1 C36 C35 120.6(2) . . ? C37 C36 C35 124.4(3) . . ? F2 C37 C38 120.3(3) . . ? F2 C37 C36 120.3(3) . . ? C38 C37 C36 119.5(3) . . ? F3 C38 C39 120.4(3) . . ? F3 C38 C37 120.7(3) . . ? C39 C38 C37 118.9(3) . . ? F4 C39 C38 120.0(3) . . ? F4 C39 C40 120.6(3) . . ? C38 C39 C40 119.4(3) . . ? F5 C40 C39 115.6(2) . . ? F5 C40 C35 119.2(2) . . ? C39 C40 C35 125.1(3) . . ? C42 C41 C46 112.1(2) . . ? C42 C41 B 125.9(2) . . ? C46 C41 B 121.0(2) . . ? F6 C42 C43 114.8(2) . . ? F6 C42 C41 120.2(2) . . ? C43 C42 C41 125.0(2) . . ? F7 C43 C44 119.8(2) . . ? F7 C43 C42 120.3(2) . . ? C44 C43 C42 119.8(2) . . ? F8 C44 C43 120.8(2) . . ? F8 C44 C45 120.9(2) . . ? C43 C44 C45 118.3(2) . . ? F9 C45 C46 121.0(2) . . ? F9 C45 C44 119.4(2) . . ? C46 C45 C44 119.7(2) . . ? F10 C46 C45 115.4(2) . . ? F10 C46 C41 119.6(2) . . ? C45 C46 C41 125.1(2) . . ? C52 C47 C48 112.9(2) . . ? C52 C47 B 127.0(2) . . ? C48 C47 B 120.0(2) . . ? F11 C48 C49 115.1(2) . . ? F11 C48 C47 120.4(2) . . ? C49 C48 C47 124.5(2) . . ? F12 C49 C50 119.8(2) . . ? F12 C49 C48 120.4(2) . . ? C50 C49 C48 119.8(2) . . ? F13 C50 C51 121.1(3) . . ? F13 C50 C49 120.4(3) . . ? C51 C50 C49 118.5(2) . . ? F14 C51 C50 119.8(2) . . ? F14 C51 C52 120.1(3) . . ? C50 C51 C52 120.1(3) . . ? F15 C52 C47 121.1(2) . . ? F15 C52 C51 114.6(2) . . ? C47 C52 C51 124.3(2) . . ? N2 Co N1 84.10(8) . . ? N2 Co C14 91.87(9) . . ? N1 Co C14 175.05(9) . . ? N2 Co C17 171.67(9) . . ? N1 Co C17 100.08(9) . . ? C14 Co C17 84.28(9) . . ? N2 Co C19 101.56(9) . . ? N1 Co C19 143.18(9) . . ? C14 Co C19 40.56(9) . . ? C17 Co C19 70.77(9) . . ? N2 Co C16 145.87(9) . . ? N1 Co C16 110.73(9) . . ? C14 Co C16 71.24(9) . . ? C17 Co C16 38.96(10) . . ? C19 Co C16 84.89(9) . . ? N2 Co C15 111.06(9) . . ? N1 Co C15 139.18(9) . . ? C14 Co C15 40.21(9) . . ? C17 Co C15 70.40(9) . . ? C19 Co C15 72.95(9) . . ? C16 Co C15 38.48(9) . . ? N2 Co C18 133.15(9) . . ? N1 Co C18 113.91(9) . . ? C14 Co C18 70.97(9) . . ? C17 Co C18 38.54(9) . . ? C19 Co C18 38.62(9) . . ? C16 Co C18 70.19(9) . . ? C15 Co C18 83.79(9) . . ? C7 N1 C6 121.12(19) . . ? C7 N1 Co 114.76(16) . . ? C6 N1 Co 123.97(15) . . ? C12 N2 C8 117.29(19) . . ? C12 N2 Co 128.99(16) . . ? C8 N2 Co 113.62(16) . . ? C13 N3 C14 121.5(2) . . ? C32 O1 C7 123.0(4) . . ? C13 O2 C33 114.96(19) . . ? 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C6 C1 C2 C3 0.7(4) . . . . ? C20 C1 C2 C3 178.4(3) . . . . ? C1 C2 C3 C4 -1.2(5) . . . . ? C2 C3 C4 C5 1.3(5) . . . . ? C3 C4 C5 C6 -0.9(4) . . . . ? C3 C4 C5 C23 178.0(3) . . . . ? C2 C1 C6 C5 -0.3(4) . . . . ? C20 C1 C6 C5 -178.0(2) . . . . ? C2 C1 C6 N1 -175.5(2) . . . . ? C20 C1 C6 N1 6.8(4) . . . . ? C4 C5 C6 C1 0.4(4) . . . . ? C23 C5 C6 C1 -178.5(2) . . . . ? C4 C5 C6 N1 175.7(2) . . . . ? C23 C5 C6 N1 -3.2(3) . . . . ? N1 C7 C8 C9 174.2(2) . . . . ? O1 C7 C8 C9 -3.2(4) . . . . ? N1 C7 C8 N2 -3.6(3) . . . . ? O1 C7 C8 N2 179.0(2) . . . . ? N2 C8 C9 C10 -2.4(4) . . . . ? C7 C8 C9 C10 -180.0(3) . . . . ? C8 C9 C10 C11 -2.9(5) . . . . ? C9 C10 C11 C12 4.3(5) . . . . ? C10 C11 C12 N2 -0.5(4) . . . . ? C10 C11 C12 C13 179.0(3) . . . . ? N2 C12 C13 N3 10.5(4) . . . . ? C11 C12 C13 N3 -169.0(3) . . . . ? N2 C12 C13 O2 -169.2(2) . . . . ? C11 C12 C13 O2 11.3(3) . . . . ? N3 C14 C15 C16 172.7(2) . . . . ? C19 C14 C15 C16 -6.5(3) . . . . ? Co C14 C15 C16 49.74(19) . . . . ? N3 C14 C15 C26 -6.0(3) . . . . ? C19 C14 C15 C26 174.8(2) . . . . ? Co C14 C15 C26 -128.9(2) . . . . ? N3 C14 C15 Co 122.92(19) . . . . ? C19 C14 C15 Co -56.24(19) . . . . ? C14 C15 C16 C17 3.6(3) . . . . ? C26 C15 C16 C17 -177.7(2) . . . . ? Co C15 C16 C17 51.4(2) . . . . ? C14 C15 C16 Co -47.79(18) . . . . ? C26 C15 C16 Co 130.8(2) . . . . ? C15 C16 C17 C18 2.5(4) . . . . ? Co C16 C17 C18 54.7(2) . . . . ? C15 C16 C17 Co -52.2(2) . . . . ? C16 C17 C18 C19 -6.1(4) . . . . ? Co C17 C18 C19 47.9(2) . . . . ? C16 C17 C18 Co -54.0(2) . . . . ? C17 C18 C19 C14 3.2(3) . . . . ? Co C18 C19 C14 51.02(18) . . . . ? C17 C18 C19 C29 -174.0(2) . . . . ? Co C18 C19 C29 -126.2(2) . . . . ? C17 C18 C19 Co -47.8(2) . . . . ? N3 C14 C19 C18 -176.0(2) . . . . ? C15 C14 C19 C18 3.1(3) . . . . ? Co C14 C19 C18 -53.75(19) . . . . ? N3 C14 C19 C29 1.2(3) . . . . ? C15 C14 C19 C29 -179.7(2) . . . . ? Co C14 C19 C29 123.5(2) . . . . ? N3 C14 C19 Co -122.3(2) . . . . ? C15 C14 C19 Co 56.85(19) . . . . ? C2 C1 C20 C22 -85.0(3) . . . . ? C6 C1 C20 C22 92.6(3) . . . . ? C2 C1 C20 C21 38.7(3) . . . . ? C6 C1 C20 C21 -143.7(2) . . . . ? C4 C5 C23 C24 75.2(3) . . . . ? C6 C5 C23 C24 -105.9(3) . . . . ? C4 C5 C23 C25 -48.5(3) . . . . ? C6 C5 C23 C25 130.3(3) . . . . ? C16 C15 C26 C27 -22.5(3) . . . . ? C14 C15 C26 C27 156.1(2) . . . . ? Co C15 C26 C27 71.8(3) . . . . ? C16 C15 C26 C28 103.2(3) . . . . ? C14 C15 C26 C28 -78.2(3) . . . . ? Co C15 C26 C28 -162.5(2) . . . . ? C18 C19 C29 C31 21.1(3) . . . . ? C14 C19 C29 C31 -156.0(2) . . . . ? Co C19 C29 C31 -71.8(3) . . . . ? C18 C19 C29 C30 -103.7(3) . . . . ? C14 C19 C29 C30 79.2(3) . . . . ? Co C19 C29 C30 163.32(18) . . . . ? C34 B C35 C40 165.4(2) . . . . ? C41 B C35 C40 50.4(3) . . . . ? C47 B C35 C40 -71.6(3) . . . . ? C34 B C35 C36 -18.1(4) . . . . ? C41 B C35 C36 -133.2(2) . . . . ? C47 B C35 C36 104.9(3) . . . . ? C40 C35 C36 F1 179.2(2) . . . . ? B C35 C36 F1 2.5(4) . . . . ? C40 C35 C36 C37 -1.2(4) . . . . ? B C35 C36 C37 -177.9(2) . . . . ? F1 C36 C37 F2 -0.7(4) . . . . ? C35 C36 C37 F2 179.7(2) . . . . ? F1 C36 C37 C38 179.3(2) . . . . ? C35 C36 C37 C38 -0.3(4) . . . . ? F2 C37 C38 F3 0.8(4) . . . . ? C36 C37 C38 F3 -179.2(2) . . . . ? F2 C37 C38 C39 -179.2(3) . . . . ? C36 C37 C38 C39 0.8(4) . . . . ? F3 C38 C39 F4 -0.8(4) . . . . ? C37 C38 C39 F4 179.2(3) . . . . ? F3 C38 C39 C40 -179.7(2) . . . . ? C37 C38 C39 C40 0.4(4) . . . . ? F4 C39 C40 F5 -0.3(4) . . . . ? C38 C39 C40 F5 178.6(2) . . . . ? F4 C39 C40 C35 179.0(2) . . . . ? C38 C39 C40 C35 -2.1(4) . . . . ? C36 C35 C40 F5 -178.3(2) . . . . ? B C35 C40 F5 -1.4(3) . . . . ? C36 C35 C40 C39 2.5(4) . . . . ? B C35 C40 C39 179.4(2) . . . . ? C34 B C41 C42 -95.6(3) . . . . ? C35 B C41 C42 27.1(3) . . . . ? C47 B C41 C42 142.8(2) . . . . ? C34 B C41 C46 71.8(3) . . . . ? C35 B C41 C46 -165.5(2) . . . . ? C47 B C41 C46 -49.8(3) . . . . ? C46 C41 C42 F6 -176.4(2) . . . . ? B C41 C42 F6 -8.0(4) . . . . ? C46 C41 C42 C43 2.5(4) . . . . ? B C41 C42 C43 170.9(2) . . . . ? F6 C42 C43 F7 -2.7(3) . . . . ? C41 C42 C43 F7 178.3(2) . . . . ? F6 C42 C43 C44 177.1(2) . . . . ? C41 C42 C43 C44 -1.8(4) . . . . ? F7 C43 C44 F8 0.3(4) . . . . ? C42 C43 C44 F8 -179.6(2) . . . . ? F7 C43 C44 C45 179.6(2) . . . . ? C42 C43 C44 C45 -0.2(4) . . . . ? F8 C44 C45 F9 0.6(4) . . . . ? C43 C44 C45 F9 -178.8(2) . . . . ? F8 C44 C45 C46 -179.4(2) . . . . ? C43 C44 C45 C46 1.2(4) . . . . ? F9 C45 C46 F10 0.4(3) . . . . ? C44 C45 C46 F10 -179.6(2) . . . . ? F9 C45 C46 C41 179.6(2) . . . . ? C44 C45 C46 C41 -0.4(4) . . . . ? C42 C41 C46 F10 177.8(2) . . . . ? B C41 C46 F10 8.7(3) . . . . ? C42 C41 C46 C45 -1.4(4) . . . . ? B C41 C46 C45 -170.4(2) . . . . ? C34 B C47 C52 -137.0(3) . . . . ? C35 B C47 C52 99.0(3) . . . . ? C41 B C47 C52 -22.2(4) . . . . ? C34 B C47 C48 46.7(3) . . . . ? C35 B C47 C48 -77.3(3) . . . . ? C41 B C47 C48 161.6(2) . . . . ? C52 C47 C48 F11 -177.8(2) . . . . ? B C47 C48 F11 -1.1(4) . . . . ? C52 C47 C48 C49 1.6(4) . . . . ? B C47 C48 C49 178.4(2) . . . . ? F11 C48 C49 F12 -3.4(4) . . . . ? C47 C48 C49 F12 177.1(2) . . . . ? F11 C48 C49 C50 177.6(2) . . . . ? C47 C48 C49 C50 -1.9(4) . . . . ? F12 C49 C50 F13 1.5(4) . . . . ? C48 C49 C50 F13 -179.4(2) . . . . ? F12 C49 C50 C51 -178.1(3) . . . . ? C48 C49 C50 C51 1.0(4) . . . . ? F13 C50 C51 F14 1.1(4) . . . . ? C49 C50 C51 F14 -179.3(3) . . . . ? F13 C50 C51 C52 -179.6(3) . . . . ? C49 C50 C51 C52 0.1(4) . . . . ? C48 C47 C52 F15 178.5(2) . . . . ? B C47 C52 F15 2.1(4) . . . . ? C48 C47 C52 C51 -0.5(4) . . . . ? B C47 C52 C51 -177.0(3) . . . . ? F14 C51 C52 F15 0.0(4) . . . . ? C50 C51 C52 F15 -179.4(3) . . . . ? F14 C51 C52 C47 179.1(3) . . . . ? C50 C51 C52 C47 -0.3(5) . . . . ? N3 C14 Co N2 8.9(2) . . . . ? C19 C14 Co N2 -105.67(14) . . . . ? C15 C14 Co N2 121.22(14) . . . . ? N3 C14 Co N1 -26.5(12) . . . . ? C19 C14 Co N1 -141.1(10) . . . . ? C15 C14 Co N1 85.8(10) . . . . ? N3 C14 Co C17 -178.5(2) . . . . ? C19 C14 Co C17 66.92(14) . . . . ? C15 C14 Co C17 -66.19(14) . . . . ? N3 C14 Co C19 114.6(3) . . . . ? C15 C14 Co C19 -133.1(2) . . . . ? N3 C14 Co C16 -140.8(2) . . . . ? C19 C14 Co C16 104.61(15) . . . . ? C15 C14 Co C16 -28.50(14) . . . . ? N3 C14 Co C15 -112.3(3) . . . . ? C19 C14 Co C15 133.1(2) . . . . ? N3 C14 Co C18 144.4(2) . . . . ? C19 C14 Co C18 29.77(13) . . . . ? C15 C14 Co C18 -103.34(15) . . . . ? C18 C17 Co N2 -3.6(7) . . . . ? C16 C17 Co N2 129.9(6) . . . . ? C18 C17 Co N1 115.95(15) . . . . ? C16 C17 Co N1 -110.61(14) . . . . ? C18 C17 Co C14 -66.41(15) . . . . ? C16 C17 Co C14 67.03(15) . . . . ? C18 C17 Co C19 -27.09(14) . . . . ? C16 C17 Co C19 106.34(16) . . . . ? C18 C17 Co C16 -133.4(2) . . . . ? C18 C17 Co C15 -105.23(16) . . . . ? C16 C17 Co C15 28.21(14) . . . . ? C16 C17 Co C18 133.4(2) . . . . ? C18 C19 Co N2 -149.58(14) . . . . ? C14 C19 Co N2 79.19(14) . . . . ? C29 C19 Co N2 -32.5(2) . . . . ? C18 C19 Co N1 -54.0(2) . . . . ? C14 C19 Co N1 174.81(14) . . . . ? C29 C19 Co N1 63.2(3) . . . . ? C18 C19 Co C14 131.2(2) . . . . ? C29 C19 Co C14 -111.7(3) . . . . ? C18 C19 Co C17 27.04(14) . . . . ? C14 C19 Co C17 -104.20(15) . . . . ? C29 C19 Co C17 144.1(2) . . . . ? C18 C19 Co C16 64.32(15) . . . . ? C14 C19 Co C16 -66.91(14) . . . . ? C29 C19 Co C16 -178.6(2) . . . . ? C18 C19 Co C15 101.70(15) . . . . ? C14 C19 Co C15 -29.54(13) . . . . ? C29 C19 Co C15 -141.2(2) . . . . ? C14 C19 Co C18 -131.2(2) . . . . ? C29 C19 Co C18 117.1(3) . . . . ? C15 C16 Co N2 -34.3(2) . . . . ? C17 C16 Co N2 -168.57(15) . . . . ? C15 C16 Co N1 -145.51(14) . . . . ? C17 C16 Co N1 80.18(15) . . . . ? C15 C16 Co C14 29.67(14) . . . . ? C17 C16 Co C14 -104.64(16) . . . . ? C15 C16 Co C17 134.3(2) . . . . ? C15 C16 Co C19 68.85(15) . . . . ? C17 C16 Co C19 -65.46(15) . . . . ? C17 C16 Co C15 -134.3(2) . . . . ? C15 C16 Co C18 105.57(15) . . . . ? C17 C16 Co C18 -28.74(14) . . . . ? C16 C15 Co N2 160.22(14) . . . . ? C14 C15 Co N2 -66.34(15) . . . . ? C26 C15 Co N2 42.5(3) . . . . ? C16 C15 Co N1 54.1(2) . . . . ? C14 C15 Co N1 -172.44(14) . . . . ? C26 C15 Co N1 -63.6(3) . . . . ? C16 C15 Co C14 -133.4(2) . . . . ? C26 C15 Co C14 108.9(3) . . . . ? C16 C15 Co C17 -28.53(14) . . . . ? C14 C15 Co C17 104.91(15) . . . . ? C26 C15 Co C17 -146.2(3) . . . . ? C16 C15 Co C19 -103.67(15) . . . . ? C14 C15 Co C19 29.77(14) . . . . ? C26 C15 Co C19 138.6(3) . . . . ? C14 C15 Co C16 133.4(2) . . . . ? C26 C15 Co C16 -117.7(3) . . . . ? C16 C15 Co C18 -65.73(15) . . . . ? C14 C15 Co C18 67.71(14) . . . . ? C26 C15 Co C18 176.6(3) . . . . ? C17 C18 Co N2 179.29(14) . . . . ? C19 C18 Co N2 42.84(18) . . . . ? C17 C18 Co N1 -75.56(16) . . . . ? C19 C18 Co N1 147.99(13) . . . . ? C17 C18 Co C14 105.30(16) . . . . ? C19 C18 Co C14 -31.15(14) . . . . ? C19 C18 Co C17 -136.4(2) . . . . ? C17 C18 Co C19 136.4(2) . . . . ? C17 C18 Co C16 29.03(14) . . . . ? C19 C18 Co C16 -107.42(15) . . . . ? C17 C18 Co C15 66.11(15) . . . . ? C19 C18 Co C15 -70.34(14) . . . . ? O1 C7 N1 C6 -0.2(3) . . . . ? C8 C7 N1 C6 -177.7(2) . . . . ? O1 C7 N1 Co 175.57(18) . . . . ? C8 C7 N1 Co -1.9(3) . . . . ? C1 C6 N1 C7 -99.3(3) . . . . ? C5 C6 N1 C7 85.2(3) . . . . ? C1 C6 N1 Co 85.3(2) . . . . ? C5 C6 N1 Co -90.1(2) . . . . ? N2 Co N1 C7 4.87(17) . . . . ? C14 Co N1 C7 40.5(11) . . . . ? C17 Co N1 C7 -167.85(17) . . . . ? C19 Co N1 C7 -96.6(2) . . . . ? C16 Co N1 C7 153.15(17) . . . . ? C15 Co N1 C7 120.53(18) . . . . ? C18 Co N1 C7 -130.06(17) . . . . ? N2 Co N1 C6 -179.52(19) . . . . ? C14 Co N1 C6 -143.9(10) . . . . ? C17 Co N1 C6 7.76(19) . . . . ? C19 Co N1 C6 79.1(2) . . . . ? C16 Co N1 C6 -31.2(2) . . . . ? C15 Co N1 C6 -63.9(2) . . . . ? C18 Co N1 C6 45.5(2) . . . . ? C11 C12 N2 C8 -4.6(3) . . . . ? C13 C12 N2 C8 175.9(2) . . . . ? C11 C12 N2 Co 171.31(19) . . . . ? C13 C12 N2 Co -8.2(3) . . . . ? C9 C8 N2 C12 6.1(3) . . . . ? C7 C8 N2 C12 -176.0(2) . . . . ? C9 C8 N2 Co -170.5(2) . . . . ? C7 C8 N2 Co 7.4(2) . . . . ? N1 Co N2 C12 177.2(2) . . . . ? C14 Co N2 C12 0.0(2) . . . . ? C17 Co N2 C12 -62.3(7) . . . . ? C19 Co N2 C12 -39.7(2) . . . . ? C16 Co N2 C12 58.4(3) . . . . ? C15 Co N2 C12 36.3(2) . . . . ? C18 Co N2 C12 -65.4(2) . . . . ? N1 Co N2 C8 -6.78(16) . . . . ? C14 Co N2 C8 176.10(17) . . . . ? C17 Co N2 C8 113.8(6) . . . . ? C19 Co N2 C8 136.38(16) . . . . ? C16 Co N2 C8 -125.58(19) . . . . ? C15 Co N2 C8 -147.62(16) . . . . ? C18 Co N2 C8 110.71(18) . . . . ? O2 C13 N3 C14 178.5(2) . . . . ? C12 C13 N3 C14 -1.2(4) . . . . ? C19 C14 N3 C13 80.3(3) . . . . ? C15 C14 N3 C13 -98.9(3) . . . . ? Co C14 N3 C13 -9.4(3) . . . . ? N1 C7 O1 C32 145.1(4) . . . . ? C8 C7 O1 C32 -37.7(5) . . . . ? N3 C13 O2 C33 0.4(3) . . . . ? C12 C13 O2 C33 -179.83(19) . . . . ? _diffrn_measured_fraction_theta_max 0.957 _diffrn_reflns_theta_full 26.41 _diffrn_measured_fraction_theta_full 0.957 _refine_diff_density_max 0.361 _refine_diff_density_min -0.676 _refine_diff_density_rms 0.067