data_aa _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C20 H12 Cl Co N5 O4' _chemical_formula_weight 480.73 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' 'Cl' 'Cl' 0.1484 0.1585 '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 p21/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.7030(15) _cell_length_b 19.216(4) _cell_length_c 12.647(3) _cell_angle_alpha 90.00 _cell_angle_beta 97.33(3) _cell_angle_gamma 90.00 _cell_volume 1856.7(6) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max 25.50 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.720 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1122 _exptl_absorpt_coefficient_mu 1.110 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.766 _exptl_absorpt_correction_T_max 0.875 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 11004 _diffrn_reflns_av_R_equivalents 0.0744 _diffrn_reflns_av_sigmaI/netI 0.0754 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 3.13 _diffrn_reflns_theta_max 25.50 _reflns_number_total 3441 _reflns_number_gt 2613 _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^)+(0.0221P)^2^+5.6436P] 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 3441 _refine_ls_number_parameters 284 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1086 _refine_ls_R_factor_gt 0.0731 _refine_ls_wR_factor_ref 0.1196 _refine_ls_wR_factor_gt 0.1092 _refine_ls_goodness_of_fit_ref 1.078 _refine_ls_restrained_S_all 1.078 _refine_ls_shift/su_max 0.000 _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 N5 N 1.0443(5) 0.0259(2) 0.8177(3) 0.0276(10) Uani 1 1 d . . . C18 C 1.0476(6) -0.0330(3) 0.7615(4) 0.0295(12) Uani 1 1 d . . . H18 H 1.1151 -0.0697 0.7919 0.035 Uiso 1 1 calc R . . C17 C 0.9568(6) -0.0427(3) 0.6610(4) 0.0301(12) Uani 1 1 d . . . H17 H 0.9631 -0.0848 0.6257 0.036 Uiso 1 1 calc R . . C16 C 0.8563(6) 0.0114(3) 0.6139(4) 0.0244(11) Uani 1 1 d . . . O3 O 0.7326(4) 0.04392(16) -0.0091(3) 0.0317(9) Uani 1 1 d . . . O4 O 0.9833(4) 0.10343(17) 0.0077(3) 0.0321(9) Uani 1 1 d . . . C4 C 0.8186(7) 0.0993(3) 0.0000(3) 0.0264(12) Uani 1 1 d . . . Co1 Co 0.19404(9) 0.05286(3) -0.02974(5) 0.02447(19) Uani 1 1 d . . . Cl1 Cl 0.2906(2) 0.26225(10) -0.12386(15) 0.0716(6) Uani 1 1 d . . . O2 O 0.5499(5) 0.1275(2) -0.2224(3) 0.0382(9) Uani 1 1 d . . . N1 N 0.3202(5) 0.0939(2) 0.1188(3) 0.0280(10) Uani 1 1 d . . . N4 N 0.6224(5) -0.0300(2) 0.3653(3) 0.0299(11) Uani 1 1 d . . . N2 N 0.6695(5) 0.0633(2) 0.4623(3) 0.0285(10) Uani 1 1 d . . . C2 C 0.5627(6) 0.1785(3) -0.0544(4) 0.0247(11) Uani 1 1 d . . . C13 C 0.4220(6) 0.0556(3) 0.1905(4) 0.0278(11) Uani 1 1 d . . . H13 H 0.4564 0.0115 0.1710 0.033 Uiso 1 1 calc R . . N3 N 0.7282(5) -0.0516(2) 0.4535(3) 0.0318(10) Uani 1 1 d . . . C1 C 0.4820(7) 0.1286(3) -0.1396(4) 0.0273(12) Uani 1 1 d . . . C15 C 0.7518(6) 0.0068(3) 0.5085(4) 0.0254(11) Uani 1 1 d . . . C19 C 0.8539(6) 0.0729(3) 0.6703(4) 0.0281(12) Uani 1 1 d . . . H19 H 0.7885 0.1106 0.6413 0.034 Uiso 1 1 calc R . . C12 C 0.4781(6) 0.0796(3) 0.2930(4) 0.0250(12) Uani 1 1 d . . . C14 C 0.5882(6) 0.0380(3) 0.3722(4) 0.0256(12) Uani 1 1 d . . . C20 C 0.9495(7) 0.0779(3) 0.7703(4) 0.0300(12) Uani 1 1 d . . . H20 H 0.9477 0.1199 0.8065 0.036 Uiso 1 1 calc R . . O1 O 0.3533(5) 0.0924(2) -0.1229(3) 0.0409(10) Uani 1 1 d . . . C8 C 0.4833(7) 0.2427(3) -0.0433(4) 0.0350(13) Uani 1 1 d . . . C11 C 0.4281(7) 0.1454(3) 0.3205(4) 0.0337(13) Uani 1 1 d . . . H11 H 0.4615 0.1623 0.3889 0.040 Uiso 1 1 calc R . . C7 C 0.5563(8) 0.2924(3) 0.0281(5) 0.0455(16) Uani 1 1 d . . . H7 H 0.5006 0.3350 0.0336 0.055 Uiso 1 1 calc R . . C9 C 0.2789(7) 0.1582(3) 0.1462(4) 0.0343(13) Uani 1 1 d . . . H9 H 0.2134 0.1859 0.0955 0.041 Uiso 1 1 calc R . . C6 C 0.7109(9) 0.2786(3) 0.0905(5) 0.0506(17) Uani 1 1 d . . . H6 H 0.7595 0.3112 0.1399 0.061 Uiso 1 1 calc R . . C3 C 0.7223(6) 0.1663(2) 0.0083(4) 0.0261(12) Uani 1 1 d . . . C5 C 0.7936(7) 0.2166(3) 0.0797(4) 0.0397(14) Uani 1 1 d . . . H5 H 0.9000 0.2078 0.1211 0.048 Uiso 1 1 calc R . . C10 C 0.3287(7) 0.1857(3) 0.2463(4) 0.0377(14) Uani 1 1 d . . . H10 H 0.2957 0.2305 0.2631 0.045 Uiso 1 1 calc R . . H4A H 0.582(6) -0.059(3) 0.317(4) 0.034(15) 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 N5 0.027(2) 0.037(3) 0.017(2) 0.0000(19) -0.0050(18) -0.0007(19) C18 0.028(3) 0.037(3) 0.022(3) 0.004(2) -0.001(2) 0.003(2) C17 0.035(3) 0.033(3) 0.021(3) -0.005(2) -0.002(2) -0.003(2) C16 0.022(3) 0.039(3) 0.011(3) 0.002(2) 0.000(2) -0.006(2) O3 0.035(2) 0.0199(19) 0.037(2) -0.0029(16) -0.0080(16) -0.0010(15) O4 0.025(2) 0.039(2) 0.030(2) -0.0093(17) -0.0052(16) 0.0070(16) C4 0.035(3) 0.032(3) 0.010(3) 0.003(2) -0.009(2) 0.007(2) Co1 0.0244(4) 0.0284(4) 0.0190(4) -0.0002(3) -0.0035(3) 0.0015(3) Cl1 0.0654(12) 0.0763(13) 0.0653(12) -0.0106(10) -0.0215(9) 0.0417(10) O2 0.036(2) 0.055(3) 0.024(2) -0.0084(18) 0.0084(18) -0.0038(18) N1 0.030(3) 0.031(3) 0.020(2) 0.0000(19) -0.0072(19) -0.0004(19) N4 0.034(3) 0.039(3) 0.013(2) -0.005(2) -0.0120(19) -0.002(2) N2 0.032(3) 0.037(3) 0.014(2) -0.0008(19) -0.0055(18) -0.002(2) C2 0.027(3) 0.030(3) 0.018(3) 0.002(2) 0.004(2) 0.002(2) C13 0.022(3) 0.035(3) 0.026(3) 0.000(2) -0.002(2) 0.002(2) N3 0.032(3) 0.041(3) 0.020(2) 0.002(2) -0.0049(18) 0.001(2) C1 0.023(3) 0.033(3) 0.024(3) 0.002(2) -0.005(2) 0.006(2) C15 0.022(3) 0.037(3) 0.017(3) 0.000(2) 0.002(2) -0.004(2) C19 0.029(3) 0.035(3) 0.019(3) 0.004(2) -0.003(2) 0.001(2) C12 0.020(3) 0.037(3) 0.016(3) -0.002(2) -0.003(2) -0.006(2) C14 0.021(3) 0.038(3) 0.018(3) 0.002(2) 0.002(2) 0.000(2) C20 0.039(3) 0.031(3) 0.019(3) 0.001(2) -0.001(2) -0.003(2) O1 0.031(2) 0.064(3) 0.028(2) -0.0028(19) 0.0032(17) -0.0195(19) C8 0.037(3) 0.044(3) 0.023(3) 0.004(2) 0.002(2) 0.015(3) C11 0.035(3) 0.042(3) 0.022(3) -0.006(2) -0.008(2) -0.003(3) C7 0.069(5) 0.029(3) 0.038(4) -0.003(3) 0.004(3) 0.014(3) C9 0.035(3) 0.032(3) 0.032(3) 0.005(2) -0.010(2) -0.006(2) C6 0.072(5) 0.034(4) 0.043(4) -0.013(3) -0.005(3) -0.001(3) C3 0.028(3) 0.024(3) 0.026(3) 0.001(2) 0.002(2) -0.002(2) C5 0.039(4) 0.036(3) 0.041(4) -0.007(3) -0.008(3) -0.001(3) C10 0.048(4) 0.026(3) 0.036(3) -0.008(2) -0.007(3) 0.001(2) _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 N5 C20 1.333(6) . ? N5 C18 1.338(6) . ? N5 Co1 2.180(4) 1_656 ? C18 C17 1.383(6) . ? C18 H18 0.9300 . ? C17 C16 1.384(7) . ? C17 H17 0.9300 . ? C16 C19 1.382(7) . ? C16 C15 1.469(6) . ? O3 C4 1.251(6) . ? O3 Co1 1.987(3) 3_655 ? O4 C4 1.263(6) . ? O4 Co1 2.000(3) 1_655 ? C4 C3 1.497(7) . ? Co1 O1 1.959(4) . y Co1 O3 1.987(3) 3_655 y Co1 O4 2.000(3) 1_455 y Co1 N1 2.152(4) . y Co1 N5 2.180(4) 1_454 y Cl1 C8 1.731(5) . ? O2 C1 1.228(6) . ? N1 C9 1.334(6) . ? N1 C13 1.340(6) . ? N4 C14 1.336(6) . ? N4 N3 1.360(5) . ? N4 H4A 0.86(5) . ? N2 C14 1.321(6) . ? N2 C15 1.353(6) . ? C2 C8 1.393(7) . ? C2 C3 1.395(7) . ? C2 C1 1.514(7) . ? C13 C12 1.392(6) . ? C13 H13 0.9300 . ? N3 C15 1.321(6) . ? C1 O1 1.252(6) . ? C19 C20 1.383(6) . ? C19 H19 0.9300 . ? C12 C11 1.379(7) . ? C12 C14 1.465(6) . ? C20 H20 0.9300 . ? C8 C7 1.383(8) . ? C11 C10 1.372(7) . ? C11 H11 0.9300 . ? C7 C6 1.368(8) . ? C7 H7 0.9300 . ? C9 C10 1.380(7) . ? C9 H9 0.9300 . ? C6 C5 1.367(7) . ? C6 H6 0.9300 . ? C3 C5 1.386(7) . ? C5 H5 0.9300 . ? C10 H10 0.9300 . ? 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 C20 N5 C18 116.1(4) . . ? C20 N5 Co1 114.7(3) . 1_656 ? C18 N5 Co1 128.8(3) . 1_656 ? N5 C18 C17 124.1(5) . . ? N5 C18 H18 118.0 . . ? C17 C18 H18 118.0 . . ? C18 C17 C16 119.0(5) . . ? C18 C17 H17 120.5 . . ? C16 C17 H17 120.5 . . ? C19 C16 C17 117.6(4) . . ? C19 C16 C15 118.5(4) . . ? C17 C16 C15 123.9(5) . . ? C4 O3 Co1 130.0(3) . 3_655 ? C4 O4 Co1 142.1(3) . 1_655 ? O3 C4 O4 125.1(5) . . ? O3 C4 C3 118.5(5) . . ? O4 C4 C3 116.3(4) . . ? O1 Co1 O3 109.35(16) . 3_655 y O1 Co1 O4 122.92(16) . 1_455 y O3 Co1 O4 127.59(15) 3_655 1_455 y O1 Co1 N1 97.78(15) . . y O3 Co1 N1 92.55(14) 3_655 . y O4 Co1 N1 84.54(14) 1_455 . y O1 Co1 N5 82.02(15) . 1_454 y O3 Co1 N5 95.63(14) 3_655 1_454 y O4 Co1 N5 88.36(14) 1_455 1_454 y N1 Co1 N5 171.40(15) . 1_454 y C9 N1 C13 118.2(4) . . ? C9 N1 Co1 118.0(3) . . ? C13 N1 Co1 123.3(3) . . ? C14 N4 N3 110.3(4) . . ? C14 N4 H4A 129(3) . . ? N3 N4 H4A 120(3) . . ? C14 N2 C15 102.7(4) . . ? C8 C2 C3 117.2(5) . . ? C8 C2 C1 119.1(4) . . ? C3 C2 C1 123.4(4) . . ? N1 C13 C12 122.2(5) . . ? N1 C13 H13 118.9 . . ? C12 C13 H13 118.9 . . ? C15 N3 N4 101.5(4) . . ? O2 C1 O1 124.5(5) . . ? O2 C1 C2 115.9(5) . . ? O1 C1 C2 119.6(5) . . ? N3 C15 N2 115.4(4) . . ? N3 C15 C16 123.5(5) . . ? N2 C15 C16 121.1(4) . . ? C16 C19 C20 119.4(5) . . ? C16 C19 H19 120.3 . . ? C20 C19 H19 120.3 . . ? C11 C12 C13 118.4(5) . . ? C11 C12 C14 119.0(4) . . ? C13 C12 C14 122.7(5) . . ? N2 C14 N4 110.0(4) . . ? N2 C14 C12 123.9(5) . . ? N4 C14 C12 126.2(4) . . ? N5 C20 C19 123.8(5) . . ? N5 C20 H20 118.1 . . ? C19 C20 H20 118.1 . . ? C1 O1 Co1 152.6(3) . . ? C7 C8 C2 122.1(5) . . ? C7 C8 Cl1 118.8(4) . . ? C2 C8 Cl1 119.1(4) . . ? C10 C11 C12 119.7(5) . . ? C10 C11 H11 120.2 . . ? C12 C11 H11 120.2 . . ? C6 C7 C8 119.6(5) . . ? C6 C7 H7 120.2 . . ? C8 C7 H7 120.2 . . ? N1 C9 C10 123.0(5) . . ? N1 C9 H9 118.5 . . ? C10 C9 H9 118.5 . . ? C5 C6 C7 119.6(5) . . ? C5 C6 H6 120.2 . . ? C7 C6 H6 120.2 . . ? C5 C3 C2 120.1(5) . . ? C5 C3 C4 119.1(4) . . ? C2 C3 C4 120.8(4) . . ? C6 C5 C3 121.4(5) . . ? C6 C5 H5 119.3 . . ? C3 C5 H5 119.3 . . ? C11 C10 C9 118.5(5) . . ? C11 C10 H10 120.8 . . ? C9 C10 H10 120.8 . . ? 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 C20 N5 C18 C17 -1.6(7) . . . . ? Co1 N5 C18 C17 -174.7(4) 1_656 . . . ? N5 C18 C17 C16 0.4(8) . . . . ? C18 C17 C16 C19 0.6(7) . . . . ? C18 C17 C16 C15 -178.8(5) . . . . ? Co1 O3 C4 O4 21.7(7) 3_655 . . . ? Co1 O3 C4 C3 -154.8(3) 3_655 . . . ? Co1 O4 C4 O3 25.6(8) 1_655 . . . ? Co1 O4 C4 C3 -157.8(4) 1_655 . . . ? O1 Co1 N1 C9 84.8(4) . . . . ? O3 Co1 N1 C9 -165.2(4) 3_655 . . . ? O4 Co1 N1 C9 -37.7(4) 1_455 . . . ? N5 Co1 N1 C9 -3.2(13) 1_454 . . . ? O1 Co1 N1 C13 -103.1(4) . . . . ? O3 Co1 N1 C13 6.8(4) 3_655 . . . ? O4 Co1 N1 C13 134.4(4) 1_455 . . . ? N5 Co1 N1 C13 168.8(9) 1_454 . . . ? C9 N1 C13 C12 3.1(7) . . . . ? Co1 N1 C13 C12 -168.9(4) . . . . ? C14 N4 N3 C15 -0.5(5) . . . . ? C8 C2 C1 O2 99.4(6) . . . . ? C3 C2 C1 O2 -74.6(6) . . . . ? C8 C2 C1 O1 -80.1(6) . . . . ? C3 C2 C1 O1 105.9(6) . . . . ? N4 N3 C15 N2 0.1(5) . . . . ? N4 N3 C15 C16 178.8(4) . . . . ? C14 N2 C15 N3 0.3(6) . . . . ? C14 N2 C15 C16 -178.4(4) . . . . ? C19 C16 C15 N3 -171.7(5) . . . . ? C17 C16 C15 N3 7.7(8) . . . . ? C19 C16 C15 N2 6.9(7) . . . . ? C17 C16 C15 N2 -173.7(5) . . . . ? C17 C16 C19 C20 -0.3(7) . . . . ? C15 C16 C19 C20 179.1(5) . . . . ? N1 C13 C12 C11 -0.8(7) . . . . ? N1 C13 C12 C14 179.5(4) . . . . ? C15 N2 C14 N4 -0.6(5) . . . . ? C15 N2 C14 C12 179.6(5) . . . . ? N3 N4 C14 N2 0.7(6) . . . . ? N3 N4 C14 C12 -179.5(4) . . . . ? C11 C12 C14 N2 -12.7(7) . . . . ? C13 C12 C14 N2 167.0(5) . . . . ? C11 C12 C14 N4 167.6(5) . . . . ? C13 C12 C14 N4 -12.7(8) . . . . ? C18 N5 C20 C19 1.9(7) . . . . ? Co1 N5 C20 C19 175.9(4) 1_656 . . . ? C16 C19 C20 N5 -1.0(8) . . . . ? O2 C1 O1 Co1 167.0(5) . . . . ? C2 C1 O1 Co1 -13.5(11) . . . . ? O3 Co1 O1 C1 -98.2(8) 3_655 . . . ? O4 Co1 O1 C1 85.8(8) 1_455 . . . ? N1 Co1 O1 C1 -2.7(8) . . . . ? N5 Co1 O1 C1 168.6(8) 1_454 . . . ? C3 C2 C8 C7 -1.3(8) . . . . ? C1 C2 C8 C7 -175.7(5) . . . . ? C3 C2 C8 Cl1 176.8(4) . . . . ? C1 C2 C8 Cl1 2.4(7) . . . . ? C13 C12 C11 C10 -1.4(8) . . . . ? C14 C12 C11 C10 178.3(5) . . . . ? C2 C8 C7 C6 -0.2(9) . . . . ? Cl1 C8 C7 C6 -178.4(5) . . . . ? C13 N1 C9 C10 -3.4(8) . . . . ? Co1 N1 C9 C10 169.1(4) . . . . ? C8 C7 C6 C5 1.6(9) . . . . ? C8 C2 C3 C5 1.4(7) . . . . ? C1 C2 C3 C5 175.6(5) . . . . ? C8 C2 C3 C4 -178.8(5) . . . . ? C1 C2 C3 C4 -4.6(7) . . . . ? O3 C4 C3 C5 139.2(5) . . . . ? O4 C4 C3 C5 -37.7(7) . . . . ? O3 C4 C3 C2 -40.6(7) . . . . ? O4 C4 C3 C2 142.5(5) . . . . ? C7 C6 C5 C3 -1.4(9) . . . . ? C2 C3 C5 C6 -0.1(8) . . . . ? C4 C3 C5 C6 -179.9(5) . . . . ? C12 C11 C10 C9 1.2(8) . . . . ? N1 C9 C10 C11 1.2(8) . . . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.50 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.404 _refine_diff_density_min -0.331 _refine_diff_density_rms 0.076