#------------------------------------------------------------------------------ #$Date: 2016-02-16 01:10:39 +0000 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: svn://www.crystallography.net/cod/cif/7/05/13/7051348.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7051348 loop_ _publ_author_name 'Ma, Jian-Fang' 'Liu, Jing-Fu' 'Liu, Ying-Chun' 'Xing, Yan' 'Jia, Heng-Qing' 'Lin, Yong-Hua' _publ_section_title ; Two new coordination polymers of Co(II) with 1,1'-(1,4-butanediyl)bis(benzimidazole) ; _journal_issue 10 _journal_name_full 'New Journal of Chemistry' _journal_page_first 759 _journal_paper_doi 10.1039/b004787m _journal_volume 24 _journal_year 2000 _chemical_formula_sum 'C18 H28 Co0.5 N5 O8' _chemical_formula_weight 471.92 _chemical_name_systematic ; ? ; _space_group_IT_number 13 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yac' _symmetry_space_group_name_H-M 'P 1 2/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL _cell_angle_alpha 90.00 _cell_angle_beta 97.93(3) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 15.290(3) _cell_length_b 9.609(2) _cell_length_c 16.956(3) _cell_measurement_reflns_used 30 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 9.60 _cell_measurement_theta_min 4.91 _cell_volume 2467.4(8) _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measurement_device 'Siemens P4 diffractometer' _diffrn_measurement_method \w--2\q _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0240 _diffrn_reflns_av_sigmaI/netI 0.1224 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -1 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -1 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 5204 _diffrn_reflns_theta_max 25.03 _diffrn_reflns_theta_min 1.68 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 100 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 0.419 _exptl_absorpt_correction_T_max 0.29856 _exptl_absorpt_correction_T_min 0.27578 _exptl_absorpt_correction_type psi-scan _exptl_crystal_colour pink _exptl_crystal_density_diffrn 1.270 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 994 _exptl_crystal_size_max 0.52 _exptl_crystal_size_mid 0.42 _exptl_crystal_size_min 0.40 _refine_diff_density_max 0.769 _refine_diff_density_min -0.231 _refine_diff_density_rms 0.073 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_all 0.850 _refine_ls_goodness_of_fit_ref 1.096 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 286 _refine_ls_number_reflns 3923 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.252 _refine_ls_restrained_S_obs 1.096 _refine_ls_R_factor_all 0.1428 _refine_ls_R_factor_gt 0.0637 _refine_ls_shift/esd_max -0.001 _refine_ls_shift/esd_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0876P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_all 0.2438 _refine_ls_wR_factor_ref 0.1458 _reflns_number_observed 1873 _reflns_number_total 3973 _reflns_observed_criterion >2sigma(I) _cod_data_source_file b004787m.txt _cod_data_source_block (1) _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(Fo^2^)+(0.0876P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. New tag '_refine_ls_weighting_details' was created. The value of the new tag was set to 'w=1/[\s^2^(Fo^2^)+(0.0876P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'. Automatic conversion script Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas ; _cod_original_cell_volume 2467.4(9) _cod_original_sg_symbol_H-M P2/n _cod_original_formula_sum 'C18 H28 Co0.50 N5 O8' _cod_database_code 7051348 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z-1/2' 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 Co 0.0390(7) 0.0402(6) 0.0303(5) 0.000 -0.0013(4) 0.000 O1 0.102(5) 0.146(6) 0.172(6) 0.071(5) 0.038(5) 0.029(5) O2 0.138(6) 0.098(5) 0.137(6) -0.023(4) 0.006(5) 0.016(4) O3 0.128(5) 0.168(6) 0.077(4) 0.016(4) 0.019(3) 0.043(5) N1 0.044(3) 0.044(3) 0.035(2) -0.005(2) 0.005(2) -0.003(3) N2 0.052(3) 0.050(3) 0.038(2) -0.008(2) 0.014(2) 0.004(3) N3 0.042(3) 0.048(3) 0.030(2) 0.003(2) 0.001(2) -0.008(3) N4 0.042(3) 0.046(3) 0.043(2) -0.006(2) -0.002(2) 0.000(2) N5 0.083(5) 0.083(6) 0.088(5) 0.025(5) 0.026(4) 0.033(4) C1 0.057(4) 0.044(3) 0.036(3) -0.003(3) 0.005(3) 0.000(3) C2 0.045(4) 0.048(4) 0.038(3) 0.002(3) 0.007(3) 0.001(3) C3 0.057(4) 0.069(5) 0.057(4) 0.005(3) 0.015(3) 0.001(4) C4 0.058(4) 0.087(5) 0.072(4) 0.015(4) 0.007(4) -0.021(4) C5 0.052(4) 0.064(4) 0.068(4) -0.012(3) -0.004(3) -0.016(4) C6 0.047(4) 0.065(4) 0.047(3) -0.005(3) 0.002(3) -0.002(3) C7 0.047(4) 0.041(3) 0.031(3) 0.005(2) 0.001(2) -0.001(3) C8 0.072(4) 0.063(4) 0.039(3) -0.008(3) 0.016(3) 0.004(4) C9 0.057(4) 0.051(4) 0.042(3) -0.006(3) 0.019(3) -0.006(3) C10 0.039(4) 0.049(4) 0.043(3) -0.002(3) -0.002(3) 0.001(3) C11 0.049(3) 0.044(3) 0.035(3) -0.002(3) -0.002(2) 0.003(3) C12 0.070(5) 0.060(4) 0.040(3) -0.008(3) -0.018(3) 0.003(4) C13 0.090(5) 0.066(4) 0.039(3) 0.008(3) -0.003(3) -0.005(4) C14 0.070(4) 0.055(4) 0.043(3) 0.004(3) 0.011(3) -0.003(4) C15 0.047(4) 0.051(4) 0.039(3) -0.006(3) -0.003(3) -0.003(3) C16 0.046(3) 0.039(3) 0.031(2) -0.003(2) -0.002(2) 0.002(3) C17 0.036(3) 0.052(4) 0.072(4) -0.014(3) -0.012(3) -0.006(3) C18 0.089(6) 0.063(5) 0.080(5) -0.011(4) -0.037(4) -0.021(4) OW1 0.052(3) 0.037(3) 0.049(3) 0.000 -0.004(3) 0.000 OW2 0.064(4) 0.042(3) 0.066(3) 0.000 0.012(3) 0.000 OW3 0.081(3) 0.064(3) 0.051(2) 0.004(2) -0.012(2) 0.016(3) OW4 0.087(3) 0.062(3) 0.070(3) 0.004(2) 0.018(2) 0.011(3) OW5 0.099(4) 0.247(9) 0.121(4) 0.028(5) 0.002(4) 0.010(5) OW6 0.198(9) 0.281(12) 0.204(8) 0.018(8) -0.026(7) -0.091(9) 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Co Co 0.7500 0.66328(11) 0.7500 0.0371(3) Uani 1 d S . O1 O 0.7513(4) 0.0611(8) 0.5561(5) 0.138(3) Uani 1 d . . O2 O 0.8438(5) 0.2183(7) 0.5617(4) 0.125(2) Uani 1 d . . O3 O 0.7885(4) 0.1401(7) 0.4493(3) 0.124(2) Uani 1 d . . N1 N 0.6465(3) 0.6739(5) 0.8222(2) 0.0412(11) Uani 1 d . . N2 N 0.5813(3) 0.7423(5) 0.9256(2) 0.0459(12) Uani 1 d . . N3 N 0.8456(3) 0.6685(5) 0.8564(2) 0.0402(11) Uani 1 d . . N4 N 0.9625(3) 0.7445(5) 0.9382(2) 0.0443(11) Uani 1 d . . N5 N 0.7941(5) 0.1399(9) 0.5213(5) 0.083(2) Uani 1 d . . C1 C 0.6475(4) 0.7615(6) 0.8830(3) 0.0456(14) Uani 1 d . . H1 H 0.6903(4) 0.8299(6) 0.8947(3) 0.080 Uiso 1 calc R . C2 C 0.5303(4) 0.6337(6) 0.8914(3) 0.0435(14) Uani 1 d . . C3 C 0.4534(4) 0.5728(7) 0.9099(3) 0.060(2) Uani 1 d . . H3 H 0.4254(4) 0.6048(7) 0.9518(3) 0.080 Uiso 1 calc R . C4 C 0.4208(5) 0.4625(8) 0.8631(4) 0.073(2) Uani 1 d . . H4 H 0.3697(5) 0.4182(8) 0.8738(4) 0.080 Uiso 1 calc R . C5 C 0.4629(4) 0.4150(7) 0.7992(4) 0.062(2) Uani 1 d . . H5 H 0.4394(4) 0.3391(7) 0.7695(4) 0.080 Uiso 1 calc R . C6 C 0.5376(4) 0.4776(6) 0.7798(3) 0.053(2) Uani 1 d . . H6 H 0.5645(4) 0.4466(6) 0.7371(3) 0.080 Uiso 1 calc R . C7 C 0.5719(4) 0.5907(6) 0.8270(3) 0.0400(13) Uani 1 d . . C8 C 0.5627(4) 0.8284(7) 0.9926(3) 0.057(2) Uani 1 d . . H8A H 0.6180(4) 0.8582(7) 1.0228(3) 0.080 Uiso 1 calc R . H8B H 0.5315(4) 0.7728(7) 1.0275(3) 0.080 Uiso 1 calc R . C9 C 0.5085(4) 0.9537(6) 0.9661(3) 0.0492(15) Uani 1 d . . H9A H 0.4524(4) 0.9235(6) 0.9375(3) 0.080 Uiso 1 calc R . H9B H 0.5387(4) 1.0070(6) 0.9295(3) 0.080 Uiso 1 calc R . C10 C 0.9167(3) 0.7472(6) 0.8644(3) 0.0445(14) Uani 1 d . . H10 H 0.9338(3) 0.7997(6) 0.8230(3) 0.080 Uiso 1 calc R . C11 C 0.9183(4) 0.6549(6) 0.9825(3) 0.0434(13) Uani 1 d . . C12 C 0.9364(4) 0.6105(7) 1.0614(3) 0.059(2) Uani 1 d . . H12 H 0.9858(4) 0.6415(7) 1.0951(3) 0.080 Uiso 1 calc R . C13 C 0.8781(5) 0.5197(7) 1.0866(3) 0.066(2) Uani 1 d . . H13 H 0.8879(5) 0.4880(7) 1.1389(3) 0.080 Uiso 1 calc R . C14 C 0.8039(4) 0.4725(6) 1.0365(3) 0.056(2) Uani 1 d . . H14 H 0.7655(4) 0.4109(6) 1.0565(3) 0.080 Uiso 1 calc R . C15 C 0.7861(4) 0.5145(6) 0.9584(3) 0.0466(15) Uani 1 d . . H15 H 0.7368(4) 0.4821(6) 0.9251(3) 0.080 Uiso 1 calc R . C16 C 0.8454(4) 0.6082(6) 0.9313(3) 0.0392(13) Uani 1 d . . C17 C 1.0447(3) 0.8216(6) 0.9679(3) 0.055(2) Uani 1 d . . H17A H 1.0714(3) 0.8556(6) 0.9229(3) 0.080 Uiso 1 calc R . H17B H 1.0863(3) 0.7585(6) 0.9979(3) 0.080 Uiso 1 calc R . C18 C 1.0270(5) 0.9453(7) 1.0213(4) 0.082(2) Uani 1 d . . H18A H 0.9975(5) 0.9114(7) 1.0646(4) 0.080 Uiso 1 calc R . H18B H 1.0831(5) 0.9850(7) 1.0443(4) 0.080 Uiso 1 calc R . OW1 O 0.7500 0.4456(5) 0.7500 0.0473(13) Uani 1 d S . OW2 O 0.7500 0.8925(6) 0.7500 0.0572(15) Uani 1 d S . OW3 O 0.8427(3) 0.2486(4) 0.8408(2) 0.0673(12) Uani 1 d . . OW4 O 0.6123(3) 1.0726(4) 0.7790(2) 0.0721(13) Uani 1 d . . OW5 O 1.0575(4) 0.9788(9) 0.7595(4) 0.157(3) Uani 1 d . . OW6 O 0.6922(6) -0.1137(13) 0.3785(5) 0.233(5) Uani 1 d . . 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' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 OW1 Co N1 92.75(12) . 2_656 yes OW1 Co N1 92.75(13) . . yes N1 Co N1 174.5(3) 2_656 . yes OW1 Co N3 91.34(13) . . yes N1 Co N3 90.45(15) 2_656 . yes N1 Co N3 89.42(15) . . yes OW1 Co N3 91.34(13) . 2_656 yes N1 Co N3 89.42(15) 2_656 2_656 yes N1 Co N3 90.45(15) . 2_656 yes N3 Co N3 177.3(3) . 2_656 yes OW1 Co OW2 180.000(2) . . yes N1 Co OW2 87.25(12) 2_656 . yes N1 Co OW2 87.25(13) . . yes N3 Co OW2 88.66(13) . . yes N3 Co OW2 88.66(13) 2_656 . yes C1 N1 C7 103.7(4) . . ? C1 N1 Co 123.1(4) . . ? C7 N1 Co 132.8(3) . . ? C1 N2 C2 107.6(4) . . ? C1 N2 C8 125.8(5) . . ? C2 N2 C8 126.4(5) . . ? C10 N3 C16 104.4(4) . . ? C10 N3 Co 123.7(3) . . ? C16 N3 Co 131.6(3) . . ? C10 N4 C11 106.7(4) . . ? C10 N4 C17 127.7(5) . . ? C11 N4 C17 125.6(4) . . ? O1 N5 O2 117.0(8) . . ? O1 N5 O3 121.7(10) . . ? O2 N5 O3 121.2(9) . . ? N1 C1 N2 113.9(5) . . ? N2 C2 C3 132.0(5) . . ? N2 C2 C7 105.1(5) . . ? C3 C2 C7 122.9(5) . . ? C4 C3 C2 116.4(6) . . ? C3 C4 C5 121.7(6) . . ? C6 C5 C4 121.8(6) . . ? C5 C6 C7 117.3(5) . . ? C2 C7 N1 109.7(5) . . ? C2 C7 C6 119.9(5) . . ? N1 C7 C6 130.4(5) . . ? N2 C8 C9 112.4(4) . . ? C8 C9 C9 113.2(6) . 3_677 ? N3 C10 N4 113.6(5) . . ? N4 C11 C16 105.8(4) . . ? N4 C11 C12 131.7(5) . . ? C16 C11 C12 122.4(6) . . ? C13 C12 C11 116.5(6) . . ? C12 C13 C14 122.1(5) . . ? C15 C14 C13 121.8(6) . . ? C14 C15 C16 117.0(5) . . ? C11 C16 N3 109.4(5) . . ? C11 C16 C15 120.2(5) . . ? N3 C16 C15 130.4(5) . . ? N4 C17 C18 112.0(5) . . ? C18 C18 C17 113.4(6) 3_777 . ? 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 Co OW1 2.092(5) . yes Co N1 2.132(4) 2_656 yes Co N1 2.132(4) . yes Co N3 2.159(4) . yes Co N3 2.159(4) 2_656 yes Co OW2 2.202(6) . yes O1 N5 1.206(8) . ? O2 N5 1.213(8) . ? O3 N5 1.213(7) . ? N1 C1 1.330(6) . ? N1 C7 1.405(6) . ? N2 C1 1.335(6) . ? N2 C2 1.382(7) . ? N2 C8 1.463(6) . ? N3 C10 1.317(6) . ? N3 C16 1.397(6) . ? N4 C10 1.348(6) . ? N4 C11 1.378(7) . ? N4 C17 1.486(6) . ? C2 C3 1.388(8) . ? C2 C7 1.399(7) . ? C3 C4 1.376(9) . ? C4 C5 1.410(9) . ? C5 C6 1.371(8) . ? C6 C7 1.408(7) . ? C8 C9 1.495(8) . ? C9 C9 1.504(10) 3_677 ? C11 C16 1.389(7) . ? C11 C12 1.397(7) . ? C12 C13 1.356(8) . ? C13 C14 1.396(8) . ? C14 C15 1.375(7) . ? C15 C16 1.401(7) . ? C17 C18 1.541(8) . ? C18 C18 1.464(13) 3_777 ? 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 OW1 Co N1 C1 136.5(4) . . . . ? N1 Co N1 C1 -43.5(4) 2_656 . . . ? N3 Co N1 C1 45.2(4) . . . . ? N3 Co N1 C1 -132.2(4) 2_656 . . . ? OW2 Co N1 C1 -43.5(4) . . . . ? OW1 Co N1 C7 -34.8(4) . . . . ? N1 Co N1 C7 145.2(4) 2_656 . . . ? N3 Co N1 C7 -126.2(4) . . . . ? N3 Co N1 C7 56.5(4) 2_656 . . . ? OW2 Co N1 C7 145.2(4) . . . . ? OW1 Co N3 C10 132.4(4) . . . . ? N1 Co N3 C10 39.7(4) 2_656 . . . ? N1 Co N3 C10 -134.8(4) . . . . ? N3 Co N3 C10 -47.6(4) 2_656 . . . ? OW2 Co N3 C10 -47.6(4) . . . . ? OW1 Co N3 C16 -54.8(4) . . . . ? N1 Co N3 C16 -147.5(5) 2_656 . . . ? N1 Co N3 C16 37.9(5) . . . . ? N3 Co N3 C16 125.2(5) 2_656 . . . ? OW2 Co N3 C16 125.2(4) . . . . ? C7 N1 C1 N2 0.0(6) . . . . ? Co N1 C1 N2 -173.5(3) . . . . ? C2 N2 C1 N1 -0.4(6) . . . . ? C8 N2 C1 N1 -176.0(5) . . . . ? C1 N2 C2 C3 -178.4(6) . . . . ? C8 N2 C2 C3 -2.8(9) . . . . ? C1 N2 C2 C7 0.7(5) . . . . ? C8 N2 C2 C7 176.2(5) . . . . ? N2 C2 C3 C4 -178.7(6) . . . . ? C7 C2 C3 C4 2.4(8) . . . . ? C2 C3 C4 C5 -0.6(9) . . . . ? C3 C4 C5 C6 -1.1(10) . . . . ? C4 C5 C6 C7 1.0(9) . . . . ? N2 C2 C7 N1 -0.7(5) . . . . ? C3 C2 C7 N1 178.4(5) . . . . ? N2 C2 C7 C6 178.3(5) . . . . ? C3 C2 C7 C6 -2.5(8) . . . . ? C1 N1 C7 C2 0.5(5) . . . . ? Co N1 C7 C2 173.0(3) . . . . ? C1 N1 C7 C6 -178.5(6) . . . . ? Co N1 C7 C6 -5.9(8) . . . . ? C5 C6 C7 C2 0.7(8) . . . . ? C5 C6 C7 N1 179.6(5) . . . . ? C1 N2 C8 C9 84.9(6) . . . . ? C2 N2 C8 C9 -89.9(6) . . . . ? N2 C8 C9 C9 -177.8(6) . . . 3_677 ? C16 N3 C10 N4 -0.6(6) . . . . ? Co N3 C10 N4 173.8(3) . . . . ? C11 N4 C10 N3 0.8(6) . . . . ? C17 N4 C10 N3 -179.3(5) . . . . ? C10 N4 C11 C16 -0.6(6) . . . . ? C17 N4 C11 C16 179.5(5) . . . . ? C10 N4 C11 C12 178.6(6) . . . . ? C17 N4 C11 C12 -1.3(9) . . . . ? N4 C11 C12 C13 -179.9(6) . . . . ? C16 C11 C12 C13 -0.9(9) . . . . ? C11 C12 C13 C14 0.2(9) . . . . ? C12 C13 C14 C15 0.5(10) . . . . ? C13 C14 C15 C16 -0.5(8) . . . . ? N4 C11 C16 N3 0.2(6) . . . . ? C12 C11 C16 N3 -179.0(5) . . . . ? N4 C11 C16 C15 -179.8(5) . . . . ? C12 C11 C16 C15 0.9(8) . . . . ? C10 N3 C16 C11 0.2(6) . . . . ? Co N3 C16 C11 -173.6(4) . . . . ? C10 N3 C16 C15 -179.7(6) . . . . ? Co N3 C16 C15 6.5(8) . . . . ? C14 C15 C16 C11 -0.2(8) . . . . ? C14 C15 C16 N3 179.7(5) . . . . ? C10 N4 C17 C18 105.1(6) . . . . ? C11 N4 C17 C18 -75.0(7) . . . . ? N4 C17 C18 C18 -65.6(10) . . . 3_777 ?