data_complex_1c _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C22 H17 Cu I N3 O, C H4 O, O, C' _chemical_formula_sum 'C24 H21 Cu I N3 O3' _chemical_formula_weight 589.89 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' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'I' 'I' -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 24.457(2) _cell_length_b 12.2391(11) _cell_length_c 18.0357(14) _cell_angle_alpha 90.00 _cell_angle_beta 113.779(5) _cell_angle_gamma 90.00 _cell_volume 4940.4(7) _cell_formula_units_Z 8 _cell_measurement_temperature 130(2) _cell_measurement_reflns_used 98 _cell_measurement_theta_min 2.67 _cell_measurement_theta_max 27.16 _exptl_crystal_description block _exptl_crystal_colour brown _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.586 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2336 _exptl_absorpt_coefficient_mu 2.163 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.670 _exptl_absorpt_correction_T_max 0.771 _exptl_absorpt_process_details '(SADABS; Bruker, 2000)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 130(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 'CCD area detector' _diffrn_measurement_method 'phi omega scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 6190 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0350 _diffrn_reflns_limit_h_min -32 _diffrn_reflns_limit_h_max 30 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.90 _diffrn_reflns_theta_max 28.60 _reflns_number_total 6190 _reflns_number_gt 4509 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker Kappa Apex' _computing_cell_refinement 'Bruker Kappa Apex' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0735P)^2^+15.5530P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6190 _refine_ls_number_parameters 292 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0708 _refine_ls_R_factor_gt 0.0465 _refine_ls_wR_factor_ref 0.1410 _refine_ls_wR_factor_gt 0.1226 _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_restrained_S_all 1.051 _refine_ls_shift/su_max 0.036 _refine_ls_shift/su_mean 0.043 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 I1 I 0.458771(13) 0.34630(3) 0.035249(17) 0.04337(12) Uani 1 1 d . . . Cu1 Cu 0.50181(2) 0.54959(5) 0.06399(3) 0.03796(15) Uani 1 1 d . . . N2 N 0.56811(15) 0.5511(3) 0.1762(2) 0.0375(8) Uani 1 1 d . . . N1 N 0.75015(15) 0.6134(3) 0.43192(19) 0.0334(7) Uani 1 1 d . . . N3 N 0.93061(16) 0.8558(3) 0.5507(2) 0.0376(8) Uani 1 1 d . . . O3 O 0.7853(2) 0.1152(3) 0.7729(2) 0.0680(11) Uani 1 1 d . . . C8 C 0.70951(17) 0.5342(3) 0.4138(2) 0.0309(8) Uani 1 1 d . . . C21 C 0.65882(17) 0.5421(3) 0.3327(2) 0.0315(8) Uani 1 1 d . . . C11 C 0.76154(18) 0.4402(3) 0.5403(2) 0.0322(8) Uani 1 1 d . . . C10 C 0.80306(18) 0.5241(3) 0.5597(2) 0.0349(9) Uani 1 1 d . . . H10 H 0.8352 0.5246 0.6099 0.042 Uiso 1 1 calc R . . C7 C 0.71364(18) 0.4466(3) 0.4649(2) 0.0331(8) Uani 1 1 d . . . H7 H 0.6845 0.3925 0.4488 0.040 Uiso 1 1 calc R . . C9 C 0.79695(18) 0.6078(4) 0.5045(2) 0.0331(8) Uani 1 1 d . . . C3 C 0.7674(2) 0.3503(3) 0.5979(2) 0.0351(9) Uani 1 1 d . . . C17 C 0.6606(2) 0.6167(4) 0.2754(3) 0.0416(10) Uani 1 1 d . . . H17 H 0.6924 0.6653 0.2887 0.050 Uiso 1 1 calc R . . C20 C 0.60961(19) 0.4745(4) 0.3094(2) 0.0415(10) Uani 1 1 d . . . H20 H 0.6059 0.4249 0.3461 0.050 Uiso 1 1 calc R . . C13 C 0.84240(18) 0.6957(4) 0.5223(2) 0.0351(9) Uani 1 1 d . . . C18 C 0.5660(2) 0.4804(4) 0.2319(2) 0.0430(10) Uani 1 1 d . . . H18 H 0.5336 0.4331 0.2174 0.052 Uiso 1 1 calc R . . C15 C 0.8816(2) 0.8520(4) 0.4810(3) 0.0429(10) Uani 1 1 d . . . H15 H 0.8770 0.9047 0.4418 0.052 Uiso 1 1 calc R . . C14 C 0.8381(2) 0.7742(4) 0.4648(3) 0.0420(10) Uani 1 1 d . . . H14 H 0.8054 0.7741 0.4151 0.050 Uiso 1 1 calc R . . C19 C 0.6152(2) 0.6187(4) 0.1990(3) 0.0437(10) Uani 1 1 d . . . H19 H 0.6173 0.6691 0.1617 0.052 Uiso 1 1 calc R . . C2 C 0.7188(2) 0.2886(4) 0.5922(3) 0.0408(10) Uani 1 1 d . . . H2 H 0.6822 0.3008 0.5491 0.049 Uiso 1 1 calc R . . C24 C 0.7225(2) 0.2088(4) 0.6486(3) 0.0456(11) Uani 1 1 d . . . H24 H 0.6890 0.1679 0.6430 0.055 Uiso 1 1 calc R . . C16 C 0.9336(2) 0.7828(4) 0.6061(3) 0.0519(13) Uani 1 1 d . . . H16 H 0.9662 0.7857 0.6558 0.062 Uiso 1 1 calc R . . C6 C 0.7765(3) 0.1907(4) 0.7132(3) 0.0504(12) Uani 1 1 d . . . C12 C 0.8916(2) 0.7030(5) 0.5949(3) 0.0531(13) Uani 1 1 d . . . H12 H 0.8963 0.6538 0.6363 0.064 Uiso 1 1 calc R . . C4 C 0.8221(2) 0.3288(4) 0.6632(3) 0.0509(12) Uani 1 1 d . . . H4 H 0.8560 0.3681 0.6683 0.061 Uiso 1 1 calc R . . C5 C 0.8259(3) 0.2503(4) 0.7196(3) 0.0585(14) Uani 1 1 d . . . H5 H 0.8624 0.2373 0.7626 0.070 Uiso 1 1 calc R . . C22 C 0.7370(4) 0.0434(6) 0.7623(5) 0.090(2) Uani 1 1 d . . . H22A H 0.7030 0.0852 0.7597 0.135 Uiso 1 1 calc R . . H22B H 0.7485 -0.0063 0.8072 0.135 Uiso 1 1 calc R . . H22C H 0.7268 0.0030 0.7129 0.135 Uiso 1 1 calc R . . O1 O 0.9290(6) 0.6096(8) 0.9069(6) 0.175(4) Uani 1 1 d . . . H1 H 0.9431 0.5919 0.8744 0.262 Uiso 1 1 calc R . . O4 O 0.0556(5) 0.5431(8) 0.7329(5) 0.181(4) Uani 1 1 d . . . C1 C 0.9167(9) 0.5064(18) 0.9466(14) 0.331(17) Uani 1 1 d . . . H1A H 0.9331 0.5156 1.0043 0.496 Uiso 1 1 calc R . . H1B H 0.9349 0.4444 0.9331 0.496 Uiso 1 1 calc R . . H1C H 0.8744 0.4950 0.9270 0.496 Uiso 1 1 calc R . . C28 C 0.0202(14) 0.341(2) 0.7031(12) 0.339(19) 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 I1 0.04332(19) 0.0496(2) 0.03918(17) 0.00201(12) 0.01870(13) -0.00380(13) Cu1 0.0314(3) 0.0490(3) 0.0299(2) 0.0025(2) 0.0086(2) 0.0069(2) N2 0.0293(17) 0.050(2) 0.0288(15) 0.0055(15) 0.0069(13) 0.0035(16) N1 0.0345(18) 0.0399(18) 0.0246(15) -0.0016(14) 0.0105(13) -0.0030(15) N3 0.0296(18) 0.048(2) 0.0318(17) -0.0001(15) 0.0086(14) -0.0057(15) O3 0.107(3) 0.059(2) 0.0434(19) 0.0197(18) 0.037(2) 0.018(2) C8 0.0292(19) 0.036(2) 0.0262(17) -0.0022(15) 0.0100(15) 0.0018(16) C21 0.031(2) 0.040(2) 0.0227(16) 0.0006(15) 0.0101(15) 0.0000(17) C11 0.036(2) 0.034(2) 0.0263(17) -0.0003(15) 0.0123(15) 0.0039(17) C10 0.034(2) 0.041(2) 0.0249(17) -0.0024(16) 0.0072(15) 0.0006(17) C7 0.037(2) 0.033(2) 0.0289(17) -0.0018(16) 0.0118(16) -0.0010(17) C9 0.029(2) 0.041(2) 0.0292(18) -0.0024(16) 0.0109(15) -0.0032(17) C3 0.044(2) 0.034(2) 0.0271(17) -0.0003(16) 0.0135(17) 0.0063(18) C17 0.040(2) 0.043(2) 0.034(2) 0.0080(18) 0.0071(18) -0.0056(19) C20 0.035(2) 0.059(3) 0.0274(18) 0.0087(18) 0.0101(17) -0.004(2) C13 0.032(2) 0.042(2) 0.0322(19) 0.0001(17) 0.0140(16) -0.0049(18) C18 0.032(2) 0.062(3) 0.0310(19) 0.006(2) 0.0083(17) -0.011(2) C15 0.036(2) 0.050(3) 0.035(2) 0.0078(19) 0.0060(18) -0.006(2) C14 0.033(2) 0.052(3) 0.034(2) 0.0038(19) 0.0055(17) -0.0090(19) C19 0.044(3) 0.048(2) 0.032(2) 0.0092(19) 0.0080(18) -0.005(2) C2 0.047(3) 0.042(2) 0.036(2) 0.0030(18) 0.0201(19) 0.009(2) C24 0.057(3) 0.044(3) 0.044(2) 0.004(2) 0.029(2) 0.008(2) C16 0.047(3) 0.069(3) 0.031(2) 0.003(2) 0.0072(19) -0.021(2) C6 0.081(4) 0.042(2) 0.037(2) 0.008(2) 0.033(2) 0.017(3) C12 0.053(3) 0.066(3) 0.029(2) 0.008(2) 0.005(2) -0.023(3) C4 0.053(3) 0.045(3) 0.040(2) 0.007(2) 0.004(2) -0.001(2) C5 0.074(4) 0.050(3) 0.036(2) 0.010(2) 0.006(2) 0.009(3) C22 0.122(6) 0.085(5) 0.097(5) 0.056(4) 0.077(5) 0.034(5) O1 0.255(11) 0.142(6) 0.161(8) -0.007(6) 0.117(9) -0.017(7) O4 0.208(9) 0.215(10) 0.096(5) 0.000(5) 0.036(5) 0.077(8) C1 0.231(19) 0.33(3) 0.33(3) 0.24(2) 0.004(18) -0.098(18) C28 0.37(4) 0.38(4) 0.151(17) -0.032(16) -0.02(2) -0.14(3) _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 I1 Cu1 2.6697(7) . ? I1 Cu1 2.6737(6) 5_665 ? Cu1 N2 2.020(3) . ? Cu1 N3 2.024(4) 8_465 ? Cu1 Cu1 2.5778(10) 5_665 ? Cu1 I1 2.6736(6) 5_665 ? N2 C19 1.341(6) . ? N2 C18 1.342(6) . ? N1 C8 1.332(5) . ? N1 C9 1.349(5) . ? N3 C16 1.319(6) . ? N3 C15 1.344(5) . ? N3 Cu1 2.024(4) 8_566 ? O3 C6 1.368(6) . ? O3 C22 1.424(9) . ? C8 C7 1.391(6) . ? C8 C21 1.491(5) . ? C21 C20 1.379(6) . ? C21 C17 1.393(6) . ? C11 C10 1.387(6) . ? C11 C7 1.393(5) . ? C11 C3 1.480(6) . ? C10 C9 1.393(6) . ? C10 H10 0.9300 . ? C7 H7 0.9300 . ? C9 C13 1.486(6) . ? C3 C2 1.378(6) . ? C3 C4 1.405(6) . ? C17 C19 1.377(6) . ? C17 H17 0.9300 . ? C20 C18 1.376(6) . ? C20 H20 0.9300 . ? C13 C12 1.378(6) . ? C13 C14 1.385(6) . ? C18 H18 0.9300 . ? C15 C14 1.370(6) . ? C15 H15 0.9300 . ? C14 H14 0.9300 . ? C19 H19 0.9300 . ? C2 C24 1.386(6) . ? C2 H2 0.9300 . ? C24 C6 1.382(7) . ? C24 H24 0.9300 . ? C16 C12 1.372(7) . ? C16 H16 0.9300 . ? C6 C5 1.377(8) . ? C12 H12 0.9300 . ? C4 C5 1.375(7) . ? C4 H4 0.9300 . ? C5 H5 0.9300 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? O1 C1 1.539(16) . ? O1 H1 0.8519 . ? O4 C28 2.60(3) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? 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 Cu1 I1 Cu1 57.69(2) . 5_665 ? N2 Cu1 N3 114.71(14) . 8_465 ? N2 Cu1 Cu1 128.73(11) . 5_665 ? N3 Cu1 Cu1 116.51(10) 8_465 5_665 ? N2 Cu1 I1 107.31(11) . . ? N3 Cu1 I1 104.90(11) 8_465 . ? Cu1 Cu1 I1 61.23(2) 5_665 . ? N2 Cu1 I1 107.83(10) . 5_665 ? N3 Cu1 I1 99.99(11) 8_465 5_665 ? Cu1 Cu1 I1 61.08(2) 5_665 5_665 ? I1 Cu1 I1 122.31(2) . 5_665 ? C19 N2 C18 117.1(4) . . ? C19 N2 Cu1 123.8(3) . . ? C18 N2 Cu1 119.1(3) . . ? C8 N1 C9 117.3(3) . . ? C16 N3 C15 116.2(4) . . ? C16 N3 Cu1 121.0(3) . 8_566 ? C15 N3 Cu1 122.1(3) . 8_566 ? C6 O3 C22 116.9(5) . . ? N1 C8 C7 123.4(4) . . ? N1 C8 C21 115.9(3) . . ? C7 C8 C21 120.7(4) . . ? C20 C21 C17 116.8(4) . . ? C20 C21 C8 122.5(4) . . ? C17 C21 C8 120.6(4) . . ? C10 C11 C7 116.5(4) . . ? C10 C11 C3 121.3(4) . . ? C7 C11 C3 122.2(4) . . ? C11 C10 C9 120.5(4) . . ? C11 C10 H10 119.8 . . ? C9 C10 H10 119.8 . . ? C8 C7 C11 119.9(4) . . ? C8 C7 H7 120.1 . . ? C11 C7 H7 120.1 . . ? N1 C9 C10 122.4(4) . . ? N1 C9 C13 116.1(4) . . ? C10 C9 C13 121.5(4) . . ? C2 C3 C4 117.4(4) . . ? C2 C3 C11 121.3(4) . . ? C4 C3 C11 121.2(4) . . ? C19 C17 C21 120.0(4) . . ? C19 C17 H17 120.0 . . ? C21 C17 H17 120.0 . . ? C18 C20 C21 120.1(4) . . ? C18 C20 H20 119.9 . . ? C21 C20 H20 119.9 . . ? C12 C13 C14 116.1(4) . . ? C12 C13 C9 122.8(4) . . ? C14 C13 C9 121.1(4) . . ? N2 C18 C20 123.1(4) . . ? N2 C18 H18 118.5 . . ? C20 C18 H18 118.5 . . ? N3 C15 C14 123.1(4) . . ? N3 C15 H15 118.4 . . ? C14 C15 H15 118.4 . . ? C15 C14 C13 120.3(4) . . ? C15 C14 H14 119.8 . . ? C13 C14 H14 119.8 . . ? N2 C19 C17 122.8(4) . . ? N2 C19 H19 118.6 . . ? C17 C19 H19 118.6 . . ? C3 C2 C24 122.2(4) . . ? C3 C2 H2 118.9 . . ? C24 C2 H2 118.9 . . ? C6 C24 C2 119.3(5) . . ? C6 C24 H24 120.3 . . ? C2 C24 H24 120.4 . . ? N3 C16 C12 124.1(4) . . ? N3 C16 H16 117.9 . . ? C12 C16 H16 117.9 . . ? O3 C6 C5 115.9(5) . . ? O3 C6 C24 124.5(5) . . ? C5 C6 C24 119.6(4) . . ? C16 C12 C13 120.0(4) . . ? C16 C12 H12 120.0 . . ? C13 C12 H12 120.0 . . ? C5 C4 C3 120.6(5) . . ? C5 C4 H4 119.7 . . ? C3 C4 H4 119.7 . . ? C6 C5 C4 120.9(5) . . ? C6 C5 H5 119.6 . . ? C4 C5 H5 119.6 . . ? O3 C22 H22A 109.5 . . ? O3 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? O3 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C1 O1 H1 112.7 . . ? O1 C1 H1A 109.9 . . ? O1 C1 H1B 109.8 . . ? H1A C1 H1B 109.5 . . ? O1 C1 H1C 108.7 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? 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 Cu1 I1 Cu1 N2 -125.20(11) 5_665 . . . ? Cu1 I1 Cu1 N3 112.39(11) 5_665 . . 8_465 ? Cu1 I1 Cu1 I1 0.0 5_665 . . 5_665 ? N3 Cu1 N2 C19 -93.2(4) 8_465 . . . ? Cu1 Cu1 N2 C19 84.0(4) 5_665 . . . ? I1 Cu1 N2 C19 150.7(3) . . . . ? I1 Cu1 N2 C19 17.2(4) 5_665 . . . ? N3 Cu1 N2 C18 87.4(4) 8_465 . . . ? Cu1 Cu1 N2 C18 -95.4(3) 5_665 . . . ? I1 Cu1 N2 C18 -28.7(4) . . . . ? I1 Cu1 N2 C18 -162.2(3) 5_665 . . . ? C9 N1 C8 C7 -1.1(6) . . . . ? C9 N1 C8 C21 -179.2(3) . . . . ? N1 C8 C21 C20 -171.6(4) . . . . ? C7 C8 C21 C20 10.2(6) . . . . ? N1 C8 C21 C17 11.0(6) . . . . ? C7 C8 C21 C17 -167.2(4) . . . . ? C7 C11 C10 C9 -1.8(6) . . . . ? C3 C11 C10 C9 179.7(4) . . . . ? N1 C8 C7 C11 1.5(6) . . . . ? C21 C8 C7 C11 179.6(4) . . . . ? C10 C11 C7 C8 0.0(6) . . . . ? C3 C11 C7 C8 178.5(4) . . . . ? C8 N1 C9 C10 -0.8(6) . . . . ? C8 N1 C9 C13 178.5(4) . . . . ? C11 C10 C9 N1 2.3(6) . . . . ? C11 C10 C9 C13 -176.9(4) . . . . ? C10 C11 C3 C2 158.2(4) . . . . ? C7 C11 C3 C2 -20.2(6) . . . . ? C10 C11 C3 C4 -18.2(6) . . . . ? C7 C11 C3 C4 163.4(4) . . . . ? C20 C21 C17 C19 -1.5(7) . . . . ? C8 C21 C17 C19 176.0(4) . . . . ? C17 C21 C20 C18 2.0(7) . . . . ? C8 C21 C20 C18 -175.6(4) . . . . ? N1 C9 C13 C12 177.8(4) . . . . ? C10 C9 C13 C12 -2.9(7) . . . . ? N1 C9 C13 C14 -3.8(6) . . . . ? C10 C9 C13 C14 175.5(4) . . . . ? C19 N2 C18 C20 -0.4(7) . . . . ? Cu1 N2 C18 C20 179.0(4) . . . . ? C21 C20 C18 N2 -1.0(8) . . . . ? C16 N3 C15 C14 -3.4(7) . . . . ? Cu1 N3 C15 C14 166.9(4) 8_566 . . . ? N3 C15 C14 C13 1.5(8) . . . . ? C12 C13 C14 C15 1.2(7) . . . . ? C9 C13 C14 C15 -177.3(4) . . . . ? C18 N2 C19 C17 0.9(7) . . . . ? Cu1 N2 C19 C17 -178.5(4) . . . . ? C21 C17 C19 N2 0.1(8) . . . . ? C4 C3 C2 C24 0.8(6) . . . . ? C11 C3 C2 C24 -175.7(4) . . . . ? C3 C2 C24 C6 0.5(7) . . . . ? C15 N3 C16 C12 2.8(8) . . . . ? Cu1 N3 C16 C12 -167.7(5) 8_566 . . . ? C22 O3 C6 C5 -172.4(5) . . . . ? C22 O3 C6 C24 6.9(7) . . . . ? C2 C24 C6 O3 179.3(4) . . . . ? C2 C24 C6 C5 -1.4(7) . . . . ? N3 C16 C12 C13 -0.2(9) . . . . ? C14 C13 C12 C16 -1.8(8) . . . . ? C9 C13 C12 C16 176.7(5) . . . . ? C2 C3 C4 C5 -1.2(7) . . . . ? C11 C3 C4 C5 175.3(4) . . . . ? O3 C6 C5 C4 -179.6(5) . . . . ? C24 C6 C5 C4 1.0(8) . . . . ? C3 C4 C5 C6 0.3(8) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 28.60 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.261 _refine_diff_density_min -0.861 _refine_diff_density_rms 0.122