data_omer19 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H36 Cl6 Cu3 N12' _chemical_formula_weight 968.03 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' 'Cl' 'Cl' 0.1484 0.1585 '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' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.7544(8) _cell_length_b 11.0084(10) _cell_length_c 11.8464(10) _cell_angle_alpha 62.551(6) _cell_angle_beta 70.781(7) _cell_angle_gamma 70.947(7) _cell_volume 935.65(14) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 12339 _cell_measurement_theta_min 2.13 _cell_measurement_theta_max 27.34 _exptl_crystal_description 'prism' _exptl_crystal_colour 'blue' _exptl_crystal_size_max 0.760 _exptl_crystal_size_mid 0.617 _exptl_crystal_size_min 0.450 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.718 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 489 _exptl_absorpt_coefficient_mu 2.160 _exptl_absorpt_correction_type integration _exptl_absorpt_correction_T_min 0.3006 _exptl_absorpt_correction_T_max 0.4357 _exptl_absorpt_process_details ? _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 8531 _diffrn_reflns_av_R_equivalents 0.0462 _diffrn_reflns_av_sigmaI/netI 0.0444 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.26 _diffrn_reflns_theta_max 26.92 _reflns_number_total 3983 _reflns_number_gt 3581 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _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^)+(0.0429P)^2^+0.2529P] 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 constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.025(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3983 _refine_ls_number_parameters 227 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0506 _refine_ls_R_factor_gt 0.0458 _refine_ls_wR_factor_ref 0.1354 _refine_ls_wR_factor_gt 0.1333 _refine_ls_goodness_of_fit_ref 1.669 _refine_ls_restrained_S_all 1.669 _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 Cu1 Cu 0.5000 0.0000 0.5000 0.03177(16) Uani 1 2 d S . . Cu2 Cu 0.66669(5) -0.32492(4) 0.80353(4) 0.03021(16) Uani 1 1 d . . . Cl1 Cl 0.72063(9) -0.18993(7) 0.52953(8) 0.03177(16) Uani 1 1 d . . . Cl2 Cl 0.43407(11) -0.14516(9) 0.80972(10) 0.0426(2) Uani 1 1 d . . . Cl3 Cl 0.89484(11) -0.50341(9) 0.80442(11) 0.0458(2) Uani 1 1 d . . . N1 N 0.6370(3) 0.1149(3) 0.4955(3) 0.0294(5) Uani 1 1 d . . . N2 N 0.7083(4) 0.2763(3) 0.5150(3) 0.0342(6) Uani 1 1 d . . . N3 N 0.7982(3) -0.2242(3) 0.8272(3) 0.0320(6) Uani 1 1 d . . . N4 N 0.8834(4) -0.0555(3) 0.8227(3) 0.0335(6) Uani 1 1 d . . . N5 N 0.5251(3) -0.4463(3) 0.8236(3) 0.0310(5) Uani 1 1 d . . . N6 N 0.4389(4) -0.6304(3) 0.8612(3) 0.0336(6) Uani 1 1 d . . . C1 C 0.8052(4) 0.1039(3) 0.4506(3) 0.0339(7) Uani 1 1 d . . . H1 H 0.8761 0.0380 0.4182 0.041 Uiso 1 1 calc R . . C2 C 0.8517(4) 0.2042(3) 0.4607(3) 0.0368(7) Uani 1 1 d . . . H2 H 0.9578 0.2208 0.4362 0.044 Uiso 1 1 calc R . . C3 C 0.5830(4) 0.2200(3) 0.5326(3) 0.0315(6) Uani 1 1 d . . . H3 H 0.4728 0.2512 0.5665 0.038 Uiso 1 1 calc R . . C4 C 0.6907(5) 0.3902(4) 0.5475(4) 0.0403(8) Uani 1 1 d . . . H4 H 0.5870 0.4226 0.5908 0.048 Uiso 1 1 calc R . . C5 C 0.8082(7) 0.4519(5) 0.5213(5) 0.0648(13) Uani 1 1 d . . . H5A H 0.9135 0.4223 0.4781 0.078 Uiso 1 1 calc R . . H5B H 0.7875 0.5259 0.5455 0.078 Uiso 1 1 calc R . . C6 C 0.9301(4) -0.2807(3) 0.8872(3) 0.0360(7) Uani 1 1 d . . . H6 H 0.9755 -0.3758 0.9237 0.043 Uiso 1 1 calc R . . C7 C 0.9841(4) -0.1783(4) 0.8855(4) 0.0387(7) Uani 1 1 d . . . H7 H 1.0714 -0.1886 0.9196 0.046 Uiso 1 1 calc R . . C8 C 0.7731(4) -0.0876(3) 0.7896(3) 0.0332(7) Uani 1 1 d . . . H8 H 0.6907 -0.0226 0.7463 0.040 Uiso 1 1 calc R . . C9 C 0.8902(5) 0.0835(4) 0.7935(4) 0.0436(8) Uani 1 1 d . . . H9 H 0.8049 0.1550 0.7591 0.052 Uiso 1 1 calc R . . C10 C 1.0041(7) 0.1182(5) 0.8107(7) 0.0824(18) Uani 1 1 d . . . H10A H 1.0917 0.0498 0.8450 0.099 Uiso 1 1 calc R . . H10B H 0.9994 0.2119 0.7890 0.099 Uiso 1 1 calc R . . C11 C 0.3742(4) -0.4033(3) 0.7898(3) 0.0368(7) Uani 1 1 d . . . H11 H 0.3180 -0.3108 0.7568 0.044 Uiso 1 1 calc R . . C12 C 0.3202(4) -0.5151(4) 0.8116(4) 0.0388(7) Uani 1 1 d . . . H12 H 0.2224 -0.5145 0.7963 0.047 Uiso 1 1 calc R . . C13 C 0.5605(4) -0.5843(3) 0.8670(3) 0.0333(7) Uani 1 1 d . . . H13 H 0.6557 -0.6417 0.8972 0.040 Uiso 1 1 calc R . . C14 C 0.4466(5) -0.7728(4) 0.8911(4) 0.0411(8) Uani 1 1 d . . . H14 H 0.5233 -0.8416 0.9386 0.049 Uiso 1 1 calc R . . C15 C 0.3508(6) -0.8112(5) 0.8549(4) 0.0545(10) Uani 1 1 d . . . H15A H 0.2732 -0.7441 0.8074 0.065 Uiso 1 1 calc R . . H15B H 0.3601 -0.9056 0.8766 0.065 Uiso 1 1 calc R . . 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 Cu1 0.0261(3) 0.0266(3) 0.0471(3) -0.0160(2) -0.01199(19) -0.0045(2) Cu2 0.0261(2) 0.0254(2) 0.0440(3) -0.01529(17) -0.01185(16) -0.00460(16) Cl1 0.0261(3) 0.0266(3) 0.0471(3) -0.0160(2) -0.01199(19) -0.0045(2) Cl2 0.0305(4) 0.0366(4) 0.0712(6) -0.0305(4) -0.0167(4) -0.0002(3) Cl3 0.0315(4) 0.0348(4) 0.0810(7) -0.0295(4) -0.0215(4) 0.0004(3) N1 0.0279(13) 0.0280(12) 0.0378(14) -0.0138(10) -0.0101(10) -0.0084(11) N2 0.0332(15) 0.0322(13) 0.0434(15) -0.0158(12) -0.0131(12) -0.0081(12) N3 0.0316(14) 0.0294(12) 0.0386(14) -0.0133(11) -0.0110(11) -0.0075(11) N4 0.0319(14) 0.0330(13) 0.0412(14) -0.0157(11) -0.0107(11) -0.0088(12) N5 0.0295(13) 0.0258(12) 0.0396(14) -0.0117(10) -0.0109(11) -0.0064(11) N6 0.0339(14) 0.0293(12) 0.0405(14) -0.0140(11) -0.0074(11) -0.0102(11) C1 0.0263(15) 0.0337(15) 0.0438(17) -0.0173(13) -0.0070(13) -0.0063(13) C2 0.0282(16) 0.0365(16) 0.0484(19) -0.0152(14) -0.0095(13) -0.0111(14) C3 0.0276(15) 0.0309(14) 0.0387(16) -0.0141(12) -0.0096(12) -0.0063(12) C4 0.047(2) 0.0347(16) 0.0489(19) -0.0212(15) -0.0168(15) -0.0063(15) C5 0.067(3) 0.059(3) 0.093(4) -0.047(3) -0.011(3) -0.025(2) C6 0.0328(17) 0.0337(15) 0.0455(18) -0.0170(14) -0.0174(14) -0.0007(13) C7 0.0302(17) 0.0418(17) 0.051(2) -0.0201(15) -0.0181(14) -0.0046(14) C8 0.0350(17) 0.0284(14) 0.0398(16) -0.0112(13) -0.0167(13) -0.0058(13) C9 0.046(2) 0.0333(16) 0.056(2) -0.0179(15) -0.0135(17) -0.0109(16) C10 0.075(4) 0.048(2) 0.150(6) -0.039(3) -0.054(4) -0.014(2) C11 0.0317(17) 0.0289(14) 0.0495(19) -0.0106(14) -0.0167(14) -0.0052(13) C12 0.0308(17) 0.0386(17) 0.052(2) -0.0172(15) -0.0137(14) -0.0101(14) C13 0.0307(16) 0.0274(14) 0.0433(17) -0.0124(12) -0.0118(13) -0.0064(12) C14 0.0417(19) 0.0310(15) 0.053(2) -0.0199(15) -0.0036(15) -0.0115(15) C15 0.064(3) 0.047(2) 0.069(3) -0.032(2) -0.011(2) -0.021(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 Cu1 N1 1.981(2) 2_656 ? Cu1 N1 1.981(2) . ? Cu1 Cl1 2.3149(8) 2_656 ? Cu1 Cl1 2.3149(8) . ? Cu1 Cl2 3.1861(11) . ? Cu1 Cl2 3.1861(11) 2_656 ? Cu2 N5 1.993(3) . ? Cu2 N3 1.992(3) . ? Cu2 Cl3 2.2983(9) . ? Cu2 Cl2 2.3395(9) . ? Cu2 Cl1 2.8230(10) . ? N1 C3 1.316(4) . ? N1 C1 1.376(4) . ? N2 C3 1.343(4) . ? N2 C2 1.382(5) . ? N2 C4 1.423(4) . ? N3 C8 1.319(4) . ? N3 C6 1.374(4) . ? N4 C8 1.346(4) . ? N4 C7 1.372(4) . ? N4 C9 1.422(4) . ? N5 C13 1.322(4) . ? N5 C11 1.377(4) . ? N6 C13 1.351(4) . ? N6 C12 1.375(5) . ? N6 C14 1.422(4) . ? C1 C2 1.358(4) . ? C1 H1 0.9300 . ? C2 H2 0.9300 . ? C3 H3 0.9300 . ? C4 C5 1.291(6) . ? C4 H4 0.9300 . ? C5 H5A 0.9300 . ? C5 H5B 0.9300 . ? C6 C7 1.347(5) . ? C6 H6 0.9300 . ? C7 H7 0.9300 . ? C8 H8 0.9300 . ? C9 C10 1.280(6) . ? C9 H9 0.9300 . ? C10 H10A 0.9300 . ? C10 H10B 0.9300 . ? C11 C12 1.345(5) . ? C11 H11 0.9300 . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 C15 1.304(5) . ? C14 H14 0.9300 . ? C15 H15A 0.9300 . ? C15 H15B 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 N1 Cu1 N1 180.00(15) 2_656 . ? N1 Cu1 Cl1 90.11(8) 2_656 2_656 ? N1 Cu1 Cl1 89.89(8) . 2_656 ? N1 Cu1 Cl1 89.89(8) 2_656 . ? N1 Cu1 Cl1 90.11(8) . . ? Cl1 Cu1 Cl1 180.00(5) 2_656 . ? N1 Cu1 Cl2 88.76(8) 2_656 . ? N1 Cu1 Cl2 91.24(8) . . ? Cl1 Cu1 Cl2 100.70(3) 2_656 . ? Cl1 Cu1 Cl2 79.30(3) . . ? N1 Cu1 Cl2 91.24(8) 2_656 2_656 ? N1 Cu1 Cl2 88.76(8) . 2_656 ? Cl1 Cu1 Cl2 79.30(3) 2_656 2_656 ? Cl1 Cu1 Cl2 100.70(3) . 2_656 ? Cl2 Cu1 Cl2 180.0 . 2_656 ? N5 Cu2 N3 167.01(11) . . ? N5 Cu2 Cl3 89.93(8) . . ? N3 Cu2 Cl3 89.40(8) . . ? N5 Cu2 Cl2 90.39(8) . . ? N3 Cu2 Cl2 89.88(8) . . ? Cl3 Cu2 Cl2 178.14(4) . . ? N5 Cu2 Cl1 96.41(8) . . ? N3 Cu2 Cl1 96.57(8) . . ? Cl3 Cu2 Cl1 94.69(3) . . ? Cl2 Cu2 Cl1 87.09(3) . . ? Cu1 Cl1 Cu2 101.99(3) . . ? Cu2 Cl2 Cu1 91.61(3) . . ? C3 N1 C1 106.2(3) . . ? C3 N1 Cu1 126.2(2) . . ? C1 N1 Cu1 127.5(2) . . ? C3 N2 C2 107.7(3) . . ? C3 N2 C4 124.6(3) . . ? C2 N2 C4 127.8(3) . . ? C8 N3 C6 105.9(3) . . ? C8 N3 Cu2 126.2(2) . . ? C6 N3 Cu2 127.9(2) . . ? C8 N4 C7 107.9(3) . . ? C8 N4 C9 124.0(3) . . ? C7 N4 C9 128.1(3) . . ? C13 N5 C11 106.0(3) . . ? C13 N5 Cu2 126.8(2) . . ? C11 N5 Cu2 127.1(2) . . ? C13 N6 C12 107.6(3) . . ? C13 N6 C14 124.0(3) . . ? C12 N6 C14 128.2(3) . . ? C2 C1 N1 109.6(3) . . ? C2 C1 H1 125.2 . . ? N1 C1 H1 125.2 . . ? C1 C2 N2 105.5(3) . . ? C1 C2 H2 127.2 . . ? N2 C2 H2 127.2 . . ? N1 C3 N2 110.9(3) . . ? N1 C3 H3 124.5 . . ? N2 C3 H3 124.5 . . ? C5 C4 N2 124.7(4) . . ? C5 C4 H4 117.6 . . ? N2 C4 H4 117.6 . . ? C4 C5 H5A 120.0 . . ? C4 C5 H5B 120.0 . . ? H5A C5 H5B 120.0 . . ? C7 C6 N3 110.1(3) . . ? C7 C6 H6 124.9 . . ? N3 C6 H6 124.9 . . ? C6 C7 N4 105.6(3) . . ? C6 C7 H7 127.2 . . ? N4 C7 H7 127.2 . . ? N3 C8 N4 110.5(3) . . ? N3 C8 H8 124.7 . . ? N4 C8 H8 124.7 . . ? C10 C9 N4 125.3(4) . . ? C10 C9 H9 117.3 . . ? N4 C9 H9 117.3 . . ? C9 C10 H10A 120.0 . . ? C9 C10 H10B 120.0 . . ? H10A C10 H10B 120.0 . . ? C12 C11 N5 109.9(3) . . ? C12 C11 H11 125.1 . . ? N5 C11 H11 125.1 . . ? C11 C12 N6 106.1(3) . . ? C11 C12 H12 126.9 . . ? N6 C12 H12 126.9 . . ? N5 C13 N6 110.4(3) . . ? N5 C13 H13 124.8 . . ? N6 C13 H13 124.8 . . ? C15 C14 N6 122.9(4) . . ? C15 C14 H14 118.5 . . ? N6 C14 H14 118.5 . . ? C14 C15 H15A 120.0 . . ? C14 C15 H15B 120.0 . . ? H15A C15 H15B 120.0 . . ? 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 N1 Cu1 Cl1 Cu2 -88.16(8) 2_656 . . . ? N1 Cu1 Cl1 Cu2 91.84(8) . . . . ? Cl2 Cu1 Cl1 Cu2 0.60(2) . . . . ? Cl2 Cu1 Cl1 Cu2 -179.40(2) 2_656 . . . ? N5 Cu2 Cl1 Cu1 89.26(8) . . . . ? N3 Cu2 Cl1 Cu1 -90.34(8) . . . . ? Cl3 Cu2 Cl1 Cu1 179.72(3) . . . . ? Cl2 Cu2 Cl1 Cu1 -0.80(3) . . . . ? N5 Cu2 Cl2 Cu1 -95.83(8) . . . . ? N3 Cu2 Cl2 Cu1 97.16(8) . . . . ? Cl1 Cu2 Cl2 Cu1 0.569(19) . . . . ? N1 Cu1 Cl2 Cu2 89.42(8) 2_656 . . . ? N1 Cu1 Cl2 Cu2 -90.58(8) . . . . ? Cl1 Cu1 Cl2 Cu2 179.29(2) 2_656 . . . ? Cl1 Cu1 Cl2 Cu2 -0.71(2) . . . . ? Cl1 Cu1 N1 C3 29.6(3) 2_656 . . . ? Cl1 Cu1 N1 C3 -150.4(3) . . . . ? Cl2 Cu1 N1 C3 -71.0(3) . . . . ? Cl2 Cu1 N1 C3 109.0(3) 2_656 . . . ? Cl1 Cu1 N1 C1 -148.6(3) 2_656 . . . ? Cl1 Cu1 N1 C1 31.4(3) . . . . ? Cl2 Cu1 N1 C1 110.7(3) . . . . ? Cl2 Cu1 N1 C1 -69.3(3) 2_656 . . . ? N5 Cu2 N3 C8 -119.9(5) . . . . ? Cl3 Cu2 N3 C8 153.0(3) . . . . ? Cl2 Cu2 N3 C8 -28.7(3) . . . . ? Cl1 Cu2 N3 C8 58.4(3) . . . . ? N5 Cu2 N3 C6 58.8(6) . . . . ? Cl3 Cu2 N3 C6 -28.3(3) . . . . ? Cl2 Cu2 N3 C6 150.0(3) . . . . ? Cl1 Cu2 N3 C6 -123.0(3) . . . . ? N3 Cu2 N5 C13 -67.1(6) . . . . ? Cl3 Cu2 N5 C13 20.0(3) . . . . ? Cl2 Cu2 N5 C13 -158.2(3) . . . . ? Cl1 Cu2 N5 C13 114.7(3) . . . . ? N3 Cu2 N5 C11 116.1(5) . . . . ? Cl3 Cu2 N5 C11 -156.8(3) . . . . ? Cl2 Cu2 N5 C11 25.0(3) . . . . ? Cl1 Cu2 N5 C11 -62.1(3) . . . . ? C3 N1 C1 C2 -0.2(4) . . . . ? Cu1 N1 C1 C2 178.3(2) . . . . ? N1 C1 C2 N2 0.9(4) . . . . ? C3 N2 C2 C1 -1.3(4) . . . . ? C4 N2 C2 C1 179.0(3) . . . . ? C1 N1 C3 N2 -0.6(4) . . . . ? Cu1 N1 C3 N2 -179.2(2) . . . . ? C2 N2 C3 N1 1.2(4) . . . . ? C4 N2 C3 N1 -179.0(3) . . . . ? C3 N2 C4 C5 -174.1(4) . . . . ? C2 N2 C4 C5 5.6(6) . . . . ? C8 N3 C6 C7 -0.1(4) . . . . ? Cu2 N3 C6 C7 -179.0(2) . . . . ? N3 C6 C7 N4 -0.1(4) . . . . ? C8 N4 C7 C6 0.2(4) . . . . ? C9 N4 C7 C6 -178.9(3) . . . . ? C6 N3 C8 N4 0.2(4) . . . . ? Cu2 N3 C8 N4 179.1(2) . . . . ? C7 N4 C8 N3 -0.3(4) . . . . ? C9 N4 C8 N3 178.9(3) . . . . ? C8 N4 C9 C10 -171.8(5) . . . . ? C7 N4 C9 C10 7.1(7) . . . . ? C13 N5 C11 C12 -0.6(4) . . . . ? Cu2 N5 C11 C12 176.8(2) . . . . ? N5 C11 C12 N6 0.6(4) . . . . ? C13 N6 C12 C11 -0.3(4) . . . . ? C14 N6 C12 C11 -174.8(3) . . . . ? C11 N5 C13 N6 0.4(4) . . . . ? Cu2 N5 C13 N6 -177.0(2) . . . . ? C12 N6 C13 N5 0.0(4) . . . . ? C14 N6 C13 N5 174.8(3) . . . . ? C13 N6 C14 C15 -162.3(4) . . . . ? C12 N6 C14 C15 11.4(6) . . . . ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 26.92 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 1.777 _refine_diff_density_min -2.371 _refine_diff_density_rms 0.089