data_shelxl _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C19 H18 Co2 N4 O8' _chemical_formula_weight 548.23 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' _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 10.650(2) _cell_length_b 10.969(2) _cell_length_c 11.246(2) _cell_angle_alpha 111.27(3) _cell_angle_beta 95.99(3) _cell_angle_gamma 117.55(3) _cell_volume 1024.8(4) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 7289 _cell_measurement_theta_min 3.26 _cell_measurement_theta_max 27.52 _exptl_crystal_description block _exptl_crystal_colour purple _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.777 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 556 _exptl_absorpt_coefficient_mu 1.676 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7468 _exptl_absorpt_correction_T_max 0.9091 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(2) _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'rotating anode' _diffrn_radiation_monochromator 'graphite' _diffrn_measurement_device_type 'rigaku r-axis rapid IP area detector' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10197 _diffrn_reflns_av_R_equivalents 0.0593 _diffrn_reflns_av_sigmaI/netI 0.0807 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.27 _diffrn_reflns_theta_max 27.48 _reflns_number_total 4655 _reflns_number_gt 3372 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'RAXIS-RAPID Auto(Rigaku, 2004)' _computing_cell_refinement 'RAXIS-RAPID Auto(Rigaku, 2004)' _computing_data_reduction 'CrystalStructure(Rigaku/MSC, 2004)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXL-97 (Sheldrick, 2001)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0294P)^2^+1.0713P] 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 refu _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4655 _refine_ls_number_parameters 302 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0740 _refine_ls_R_factor_gt 0.0456 _refine_ls_wR_factor_ref 0.1010 _refine_ls_wR_factor_gt 0.0905 _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_restrained_S_all 1.021 _refine_ls_shift/su_max 0.001 _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 C1 C 0.6627(4) 0.7169(4) 0.4583(4) 0.0164(7) Uani 1 1 d . . . C2 C 0.7502(4) 0.6400(4) 0.4404(3) 0.0152(7) Uani 1 1 d . . . C3 C 0.6772(4) 0.4861(4) 0.4178(4) 0.0192(7) Uani 1 1 d . . . H3 H 0.5811 0.4384 0.4231 0.023 Uiso 1 1 calc R . . C4 C 0.7464(4) 0.4036(4) 0.3877(4) 0.0172(7) Uani 1 1 d . . . C5 C 0.8874(3) 0.4731(4) 0.3731(3) 0.0154(7) Uani 1 1 d . . . H5 H 0.9318 0.4164 0.3472 0.019 Uiso 1 1 calc R . . C6 C 0.9618(3) 0.6271(4) 0.3973(3) 0.0150(7) Uani 1 1 d . . . C7 C 0.8954(4) 0.7117(4) 0.4353(3) 0.0157(7) Uani 1 1 d . . . H7 H 0.9480 0.8165 0.4575 0.019 Uiso 1 1 calc R . . C8 C 0.6663(4) 0.2401(4) 0.3715(4) 0.0170(7) Uani 1 1 d . . . C9 C 1.1153(4) 0.7017(4) 0.3814(3) 0.0163(7) Uani 1 1 d . . . C10 C 0.8409(4) 1.0982(5) 0.8639(4) 0.0330(10) Uani 1 1 d . . . H10 H 0.9110 1.0936 0.8228 0.040 Uiso 1 1 calc R . . C11 C 0.6435(5) 1.0861(5) 0.8978(4) 0.0355(10) Uani 1 1 d . . . H11 H 0.5487 1.0710 0.8835 0.043 Uiso 1 1 calc R . . C12 C 0.7364(5) 1.1323(5) 1.0179(4) 0.0359(10) Uani 1 1 d . . . H12 H 0.7182 1.1547 1.0999 0.043 Uiso 1 1 calc R . . C13 C 0.9986(4) 1.1913(5) 1.0950(4) 0.0348(10) Uani 1 1 d . . . H13A H 1.0597 1.3040 1.1407 0.042 Uiso 1 1 calc R . . H13B H 1.0554 1.1545 1.0484 0.042 Uiso 1 1 calc R . . C14 C 0.0304(4) -0.1349(5) -0.1997(4) 0.0313(9) Uani 1 1 d . . . H14A H 0.0768 -0.1807 -0.2543 0.038 Uiso 1 1 calc R . . H14B H -0.0636 -0.1663 -0.2590 0.038 Uiso 1 1 calc R . . C15 C 0.1770(5) 0.0890(5) -0.2244(4) 0.0322(9) Uani 1 1 d . . . H15A H 0.1004 0.0954 -0.2716 0.039 Uiso 1 1 calc R . . H15B H 0.1969 0.0205 -0.2908 0.039 Uiso 1 1 calc R . . C16 C 0.3176(5) 0.2476(5) -0.1441(5) 0.0396(11) Uani 1 1 d . . . H16A H 0.3909 0.2396 -0.0941 0.048 Uiso 1 1 calc R . . H16B H 0.3587 0.2842 -0.2060 0.048 Uiso 1 1 calc R . . C17 C 0.3515(4) 0.4332(4) 0.0861(4) 0.0256(8) Uani 1 1 d . . . H17 H 0.4102 0.4135 0.1339 0.031 Uiso 1 1 calc R . . C18 C 0.2268(6) 0.5247(6) 0.0391(5) 0.0446(12) Uani 1 1 d . . . H18 H 0.1821 0.5816 0.0481 0.054 Uiso 1 1 calc R . . C19 C 0.2146(7) 0.4199(7) -0.0804(5) 0.0578(15) Uani 1 1 d . . . H19 H 0.1619 0.3927 -0.1666 0.069 Uiso 1 1 calc R . . Co1 Co 0.37490(5) 0.67809(5) 0.34729(5) 0.01656(13) Uani 1 1 d . . . Co2 Co 0.62141(5) 0.99046(5) 0.59170(5) 0.01493(12) Uani 1 1 d . . . H7A H 0.550(5) 0.926(5) 0.337(4) 0.055(16) Uiso 1 1 d D . . N1 N 0.7092(3) 1.0645(4) 0.7995(3) 0.0261(7) Uani 1 1 d . . . N2 N 0.8616(4) 1.1395(4) 0.9950(3) 0.0293(8) Uani 1 1 d . . . N3 N 0.2948(4) 0.3628(4) -0.0486(3) 0.0328(8) Uani 1 1 d . . . N4 N 0.3139(3) 0.5340(4) 0.1432(3) 0.0242(7) Uani 1 1 d . . . O1 O 0.5267(3) 0.6254(3) 0.3824(3) 0.0242(6) Uani 1 1 d . . . O2 O 0.7253(3) 0.8572(3) 0.5373(3) 0.0250(6) Uani 1 1 d . . . O3 O 0.5693(2) 0.2111(3) 0.4330(2) 0.0187(5) Uani 1 1 d . . . O4 O 0.6961(3) 0.1467(3) 0.3036(3) 0.0266(6) Uani 1 1 d . . . O5 O 1.1631(3) 0.6131(3) 0.3362(3) 0.0233(6) Uani 1 1 d . . . O6 O 1.1799(3) 0.8412(3) 0.4109(3) 0.0257(6) Uani 1 1 d . . . O7 O 0.4974(3) 0.8974(3) 0.3843(3) 0.0179(5) Uani 1 1 d D . . O8 O 0.1269(3) 0.0300(3) -0.1334(3) 0.0336(7) 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 C1 0.0178(16) 0.0209(18) 0.0251(19) 0.0171(16) 0.0135(15) 0.0148(14) C2 0.0153(15) 0.0149(16) 0.0192(17) 0.0076(15) 0.0073(14) 0.0109(13) C3 0.0151(16) 0.0191(18) 0.030(2) 0.0143(16) 0.0130(16) 0.0108(14) C4 0.0160(16) 0.0165(17) 0.0256(19) 0.0126(16) 0.0085(15) 0.0109(14) C5 0.0133(15) 0.0186(17) 0.0197(17) 0.0117(15) 0.0073(14) 0.0100(14) C6 0.0087(14) 0.0178(17) 0.0199(18) 0.0108(15) 0.0038(14) 0.0070(13) C7 0.0140(15) 0.0141(16) 0.0206(18) 0.0091(15) 0.0052(14) 0.0081(13) C8 0.0111(15) 0.0151(17) 0.0208(18) 0.0080(15) 0.0024(14) 0.0051(13) C9 0.0110(15) 0.0179(17) 0.0216(18) 0.0099(15) 0.0062(14) 0.0082(14) C10 0.027(2) 0.046(3) 0.028(2) 0.018(2) 0.0131(19) 0.020(2) C11 0.027(2) 0.052(3) 0.029(2) 0.018(2) 0.0116(19) 0.024(2) C12 0.032(2) 0.052(3) 0.029(2) 0.022(2) 0.016(2) 0.024(2) C13 0.025(2) 0.041(3) 0.033(2) 0.017(2) 0.0056(19) 0.0151(19) C14 0.028(2) 0.030(2) 0.028(2) 0.0106(19) 0.0026(18) 0.0133(18) C15 0.038(2) 0.029(2) 0.030(2) 0.0108(19) 0.011(2) 0.0200(19) C16 0.040(2) 0.038(3) 0.035(3) 0.009(2) 0.021(2) 0.021(2) C17 0.0204(17) 0.025(2) 0.025(2) 0.0063(17) 0.0084(16) 0.0114(16) C18 0.064(3) 0.044(3) 0.032(3) 0.012(2) 0.006(2) 0.039(3) C19 0.095(4) 0.062(4) 0.024(2) 0.014(3) 0.007(3) 0.056(3) Co1 0.0115(2) 0.0141(2) 0.0243(3) 0.0069(2) 0.0061(2) 0.00853(19) Co2 0.0123(2) 0.0126(2) 0.0220(3) 0.0091(2) 0.0065(2) 0.00723(19) N1 0.0227(16) 0.0289(18) 0.0246(17) 0.0118(15) 0.0081(14) 0.0128(14) N2 0.0212(16) 0.039(2) 0.0285(18) 0.0183(17) 0.0067(15) 0.0154(15) N3 0.042(2) 0.0277(19) 0.0229(18) 0.0070(16) 0.0114(17) 0.0183(17) N4 0.0208(15) 0.0207(16) 0.0241(17) 0.0046(14) 0.0043(14) 0.0113(13) O1 0.0178(12) 0.0196(13) 0.0333(15) 0.0060(12) 0.0039(11) 0.0142(11) O2 0.0185(12) 0.0135(13) 0.0418(17) 0.0094(12) 0.0098(12) 0.0106(10) O3 0.0143(11) 0.0133(12) 0.0264(14) 0.0090(11) 0.0097(11) 0.0055(10) O4 0.0279(14) 0.0205(13) 0.0396(16) 0.0149(13) 0.0189(13) 0.0167(11) O5 0.0142(11) 0.0213(13) 0.0373(16) 0.0127(12) 0.0126(12) 0.0115(10) O6 0.0154(12) 0.0191(13) 0.0454(17) 0.0186(13) 0.0135(12) 0.0079(11) O7 0.0197(12) 0.0168(12) 0.0259(14) 0.0124(11) 0.0130(11) 0.0131(10) O8 0.0450(17) 0.0286(15) 0.0275(15) 0.0120(13) 0.0135(14) 0.0205(14) _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 C1 O2 1.240(4) . ? C1 O1 1.269(4) . ? C1 C2 1.505(4) . ? C2 C7 1.392(4) . ? C2 C3 1.398(5) . ? C3 C4 1.386(5) . ? C3 H3 0.9300 . ? C4 C5 1.395(4) . ? C4 C8 1.515(4) . ? C5 C6 1.392(4) . ? C5 H5 0.9300 . ? C6 C7 1.388(4) . ? C6 C9 1.517(4) . ? C7 H7 0.9300 . ? C8 O4 1.232(4) . ? C8 O3 1.285(4) . ? C9 O6 1.239(4) . ? C9 O5 1.271(4) . ? C10 N1 1.319(5) . ? C10 N2 1.335(5) . ? C10 H10 0.9300 . ? C11 C12 1.349(6) . ? C11 N1 1.376(5) . ? C11 H11 0.9300 . ? C12 N2 1.356(5) . ? C12 H12 0.9300 . ? C13 N2 1.464(5) . ? C13 C14 1.515(6) 2_666 ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 O8 1.423(5) . ? C14 C13 1.515(5) 2_666 ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 O8 1.423(5) . ? C15 C16 1.501(6) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 N3 1.471(5) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 N4 1.320(5) . ? C17 N3 1.337(5) . ? C17 H17 0.9300 . ? C18 N4 1.357(6) . ? C18 C19 1.360(6) . ? C18 H18 0.9300 . ? C19 N3 1.357(6) . ? C19 H19 0.9300 . ? Co1 O7 1.979(2) . ? Co1 O1 2.000(3) . ? Co1 O5 2.000(2) 1_455 ? Co1 N4 2.073(3) . ? Co1 O3 2.187(3) 2_666 ? Co2 O6 2.080(2) 2_776 ? Co2 O3 2.091(2) 2_666 ? Co2 O7 2.112(2) 2_676 ? Co2 N1 2.112(3) . ? Co2 O7 2.146(3) . ? Co2 O2 2.174(2) . ? O3 Co2 2.091(2) 2_666 ? O3 Co1 2.187(3) 2_666 ? O5 Co1 2.000(2) 1_655 ? O6 Co2 2.080(2) 2_776 ? O7 Co2 2.112(2) 2_676 ? O7 H7A 0.842(10) . ? 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 O2 C1 O1 126.4(3) . . ? O2 C1 C2 120.5(3) . . ? O1 C1 C2 113.0(3) . . ? C7 C2 C3 119.3(3) . . ? C7 C2 C1 122.7(3) . . ? C3 C2 C1 117.8(3) . . ? C4 C3 C2 120.7(3) . . ? C4 C3 H3 119.6 . . ? C2 C3 H3 119.6 . . ? C3 C4 C5 119.3(3) . . ? C3 C4 C8 118.9(3) . . ? C5 C4 C8 121.8(3) . . ? C6 C5 C4 120.2(3) . . ? C6 C5 H5 119.9 . . ? C4 C5 H5 119.9 . . ? C7 C6 C5 120.0(3) . . ? C7 C6 C9 120.2(3) . . ? C5 C6 C9 119.8(3) . . ? C6 C7 C2 120.2(3) . . ? C6 C7 H7 119.9 . . ? C2 C7 H7 119.9 . . ? O4 C8 O3 125.1(3) . . ? O4 C8 C4 120.2(3) . . ? O3 C8 C4 114.7(3) . . ? O6 C9 O5 126.5(3) . . ? O6 C9 C6 117.1(3) . . ? O5 C9 C6 116.3(3) . . ? N1 C10 N2 112.2(3) . . ? N1 C10 H10 123.9 . . ? N2 C10 H10 123.9 . . ? C12 C11 N1 110.2(4) . . ? C12 C11 H11 124.9 . . ? N1 C11 H11 124.9 . . ? C11 C12 N2 106.2(4) . . ? C11 C12 H12 126.9 . . ? N2 C12 H12 126.9 . . ? N2 C13 C14 113.6(3) . 2_666 ? N2 C13 H13A 108.8 . . ? C14 C13 H13A 108.8 2_666 . ? N2 C13 H13B 108.8 . . ? C14 C13 H13B 108.8 2_666 . ? H13A C13 H13B 107.7 . . ? O8 C14 C13 109.3(3) . 2_666 ? O8 C14 H14A 109.8 . . ? C13 C14 H14A 109.8 2_666 . ? O8 C14 H14B 109.8 . . ? C13 C14 H14B 109.8 2_666 . ? H14A C14 H14B 108.3 . . ? O8 C15 C16 108.2(4) . . ? O8 C15 H15A 110.1 . . ? C16 C15 H15A 110.1 . . ? O8 C15 H15B 110.1 . . ? C16 C15 H15B 110.1 . . ? H15A C15 H15B 108.4 . . ? N3 C16 C15 113.7(3) . . ? N3 C16 H16A 108.8 . . ? C15 C16 H16A 108.8 . . ? N3 C16 H16B 108.8 . . ? C15 C16 H16B 108.8 . . ? H16A C16 H16B 107.7 . . ? N4 C17 N3 111.7(4) . . ? N4 C17 H17 124.1 . . ? N3 C17 H17 124.1 . . ? N4 C18 C19 109.9(4) . . ? N4 C18 H18 125.0 . . ? C19 C18 H18 125.0 . . ? N3 C19 C18 106.1(4) . . ? N3 C19 H19 126.9 . . ? C18 C19 H19 126.9 . . ? O7 Co1 O1 103.84(11) . . ? O7 Co1 O5 111.29(11) . 1_455 ? O1 Co1 O5 142.29(11) . 1_455 ? O7 Co1 N4 109.16(12) . . ? O1 Co1 N4 88.26(12) . . ? O5 Co1 N4 92.75(12) 1_455 . ? O7 Co1 O3 81.61(10) . 2_666 ? O1 Co1 O3 84.95(10) . 2_666 ? O5 Co1 O3 86.96(11) 1_455 2_666 ? N4 Co1 O3 168.43(11) . 2_666 ? O6 Co2 O3 168.10(10) 2_776 2_666 ? O6 Co2 O7 100.07(10) 2_776 2_676 ? O3 Co2 O7 90.02(9) 2_666 2_676 ? O6 Co2 N1 93.31(13) 2_776 . ? O3 Co2 N1 91.90(12) 2_666 . ? O7 Co2 N1 95.83(12) 2_676 . ? O6 Co2 O7 95.42(11) 2_776 . ? O3 Co2 O7 80.09(11) 2_666 . ? O7 Co2 O7 79.71(10) 2_676 . ? N1 Co2 O7 170.77(10) . . ? O6 Co2 O2 81.36(10) 2_776 . ? O3 Co2 O2 87.78(9) 2_666 . ? O7 Co2 O2 172.00(10) 2_676 . ? N1 Co2 O2 91.93(12) . . ? O7 Co2 O2 92.33(10) . . ? C10 N1 C11 104.2(3) . . ? C10 N1 Co2 127.1(3) . . ? C11 N1 Co2 128.7(3) . . ? C10 N2 C12 107.2(3) . . ? C10 N2 C13 125.5(3) . . ? C12 N2 C13 127.2(3) . . ? C17 N3 C19 107.0(4) . . ? C17 N3 C16 126.3(4) . . ? C19 N3 C16 126.7(4) . . ? C17 N4 C18 105.2(3) . . ? C17 N4 Co1 128.0(3) . . ? C18 N4 Co1 126.8(3) . . ? C1 O1 Co1 128.1(2) . . ? C1 O2 Co2 127.5(2) . . ? C8 O3 Co2 134.8(2) . 2_666 ? C8 O3 Co1 124.3(2) . 2_666 ? Co2 O3 Co1 92.32(10) 2_666 2_666 ? C9 O5 Co1 126.9(2) . 1_655 ? C9 O6 Co2 137.8(2) . 2_776 ? Co1 O7 Co2 113.74(11) . 2_676 ? Co1 O7 Co2 96.78(11) . . ? Co2 O7 Co2 100.29(10) 2_676 . ? Co1 O7 H7A 123(3) . . ? Co2 O7 H7A 106(4) 2_676 . ? Co2 O7 H7A 115(3) . . ? C15 O8 C14 112.2(3) . . ? 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 O2 C1 C2 C7 -39.9(5) . . . . ? O1 C1 C2 C7 137.6(3) . . . . ? O2 C1 C2 C3 145.0(3) . . . . ? O1 C1 C2 C3 -37.5(4) . . . . ? C7 C2 C3 C4 -1.5(5) . . . . ? C1 C2 C3 C4 173.8(3) . . . . ? C2 C3 C4 C5 -3.2(5) . . . . ? C2 C3 C4 C8 176.7(3) . . . . ? C3 C4 C5 C6 4.2(5) . . . . ? C8 C4 C5 C6 -175.8(3) . . . . ? C4 C5 C6 C7 -0.3(5) . . . . ? C4 C5 C6 C9 179.9(3) . . . . ? C5 C6 C7 C2 -4.4(5) . . . . ? C9 C6 C7 C2 175.3(3) . . . . ? C3 C2 C7 C6 5.3(5) . . . . ? C1 C2 C7 C6 -169.7(3) . . . . ? C3 C4 C8 O4 155.9(4) . . . . ? C5 C4 C8 O4 -24.1(5) . . . . ? C3 C4 C8 O3 -24.1(5) . . . . ? C5 C4 C8 O3 155.9(3) . . . . ? C7 C6 C9 O6 3.9(5) . . . . ? C5 C6 C9 O6 -176.3(3) . . . . ? C7 C6 C9 O5 -174.7(3) . . . . ? C5 C6 C9 O5 5.1(5) . . . . ? N1 C11 C12 N2 -0.1(5) . . . . ? O8 C15 C16 N3 -64.6(5) . . . . ? N4 C18 C19 N3 0.6(6) . . . . ? N2 C10 N1 C11 -0.2(5) . . . . ? N2 C10 N1 Co2 -179.2(3) . . . . ? C12 C11 N1 C10 0.2(5) . . . . ? C12 C11 N1 Co2 179.2(3) . . . . ? O6 Co2 N1 C10 -45.7(4) 2_776 . . . ? O3 Co2 N1 C10 123.6(4) 2_666 . . . ? O7 Co2 N1 C10 -146.2(4) 2_676 . . . ? O7 Co2 N1 C10 153.2(6) . . . . ? O2 Co2 N1 C10 35.7(4) . . . . ? O6 Co2 N1 C11 135.5(4) 2_776 . . . ? O3 Co2 N1 C11 -55.2(4) 2_666 . . . ? O7 Co2 N1 C11 35.1(4) 2_676 . . . ? O7 Co2 N1 C11 -25.5(9) . . . . ? O2 Co2 N1 C11 -143.0(4) . . . . ? N1 C10 N2 C12 0.1(5) . . . . ? N1 C10 N2 C13 -176.7(4) . . . . ? C11 C12 N2 C10 0.0(5) . . . . ? C11 C12 N2 C13 176.8(4) . . . . ? C14 C13 N2 C10 -142.9(4) 2_666 . . . ? C14 C13 N2 C12 40.9(6) 2_666 . . . ? N4 C17 N3 C19 -0.8(5) . . . . ? N4 C17 N3 C16 178.2(3) . . . . ? C18 C19 N3 C17 0.1(6) . . . . ? C18 C19 N3 C16 -178.8(4) . . . . ? C15 C16 N3 C17 114.6(5) . . . . ? C15 C16 N3 C19 -66.7(6) . . . . ? N3 C17 N4 C18 1.1(5) . . . . ? N3 C17 N4 Co1 -178.4(2) . . . . ? C19 C18 N4 C17 -1.0(6) . . . . ? C19 C18 N4 Co1 178.5(3) . . . . ? O7 Co1 N4 C17 116.2(3) . . . . ? O1 Co1 N4 C17 12.1(3) . . . . ? O5 Co1 N4 C17 -130.2(3) 1_455 . . . ? O3 Co1 N4 C17 -41.9(7) 2_666 . . . ? O7 Co1 N4 C18 -63.3(4) . . . . ? O1 Co1 N4 C18 -167.3(4) . . . . ? O5 Co1 N4 C18 50.4(4) 1_455 . . . ? O3 Co1 N4 C18 138.7(5) 2_666 . . . ? O2 C1 O1 Co1 7.8(5) . . . . ? C2 C1 O1 Co1 -169.5(2) . . . . ? O7 Co1 O1 C1 25.1(3) . . . . ? O5 Co1 O1 C1 -133.4(3) 1_455 . . . ? N4 Co1 O1 C1 134.4(3) . . . . ? O3 Co1 O1 C1 -55.0(3) 2_666 . . . ? O1 C1 O2 Co2 7.7(5) . . . . ? C2 C1 O2 Co2 -175.2(2) . . . . ? O6 Co2 O2 C1 -142.9(3) 2_776 . . . ? O3 Co2 O2 C1 32.2(3) 2_666 . . . ? O7 Co2 O2 C1 -41.9(8) 2_676 . . . ? N1 Co2 O2 C1 124.0(3) . . . . ? O7 Co2 O2 C1 -47.8(3) . . . . ? O4 C8 O3 Co2 -23.9(6) . . . 2_666 ? C4 C8 O3 Co2 156.2(2) . . . 2_666 ? O4 C8 O3 Co1 114.2(4) . . . 2_666 ? C4 C8 O3 Co1 -65.7(4) . . . 2_666 ? O6 C9 O5 Co1 18.9(5) . . . 1_655 ? C6 C9 O5 Co1 -162.7(2) . . . 1_655 ? O5 C9 O6 Co2 0.9(6) . . . 2_776 ? C6 C9 O6 Co2 -177.5(2) . . . 2_776 ? O1 Co1 O7 Co2 -164.40(12) . . . 2_676 ? O5 Co1 O7 Co2 1.64(16) 1_455 . . 2_676 ? N4 Co1 O7 Co2 102.59(14) . . . 2_676 ? O3 Co1 O7 Co2 -81.75(13) 2_666 . . 2_676 ? O1 Co1 O7 Co2 -59.99(11) . . . . ? O5 Co1 O7 Co2 106.05(11) 1_455 . . . ? N4 Co1 O7 Co2 -153.00(11) . . . . ? O3 Co1 O7 Co2 22.65(9) 2_666 . . . ? O6 Co2 O7 Co1 145.02(10) 2_776 . . . ? O3 Co2 O7 Co1 -23.86(9) 2_666 . . . ? O7 Co2 O7 Co1 -115.70(12) 2_676 . . . ? N1 Co2 O7 Co1 -54.0(7) . . . . ? O2 Co2 O7 Co1 63.48(10) . . . . ? O6 Co2 O7 Co2 -99.29(10) 2_776 . . 2_676 ? O3 Co2 O7 Co2 91.84(10) 2_666 . . 2_676 ? O7 Co2 O7 Co2 0.0 2_676 . . 2_676 ? N1 Co2 O7 Co2 61.7(7) . . . 2_676 ? O2 Co2 O7 Co2 179.18(9) . . . 2_676 ? C16 C15 O8 C14 -158.7(3) . . . . ? C13 C14 O8 C15 171.1(3) 2_666 . . . ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.587 _refine_diff_density_min -0.632 _refine_diff_density_rms 0.106