#------------------------------------------------------------------------------ #$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: svn://www.crystallography.net/cod/cif/5/00/03/5000305.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_5000305 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H24 Br2 N2 Zn' _chemical_formula_sum 'C24 H24 Br2 N2 Zn' _chemical_formula_weight 565.64 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _[local]_cod_cif_authors_sg_H-M Cc 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' 'Zn' 'Zn' 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Br' 'Br' -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic 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' _cell_length_a 19.5612(19) _cell_length_b 16.4082(19) _cell_length_c 7.1526(8) _cell_angle_alpha 90.00 _cell_angle_beta 99.610(4) _cell_angle_gamma 90.00 _cell_volume 2263.5(4) _cell_formula_units_Z 4 _cell_measurement_temperature 120(2) _cell_measurement_reflns_used 9714 _cell_measurement_theta_min 2.48 _cell_measurement_theta_max 30.00 _exptl_crystal_description plate _exptl_crystal_colour colorless _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.660 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1128 _exptl_absorpt_coefficient_mu 4.628 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.3373 _exptl_absorpt_correction_T_max 0.7084 _exptl_absorpt_process_details 'SADABS, R. Blessing (1995)' _diffrn_ambient_temperature 120(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_details '0.30 degree frames measured for 20 seconds each' _diffrn_measurement_device_type 'Bruker Platform goniometer' _diffrn_measurement_device 'three-circle goniometer with fixed chi' _diffrn_measurement_method \w-scans _diffrn_detector 'CCD area detector' _diffrn_detector_type 'Bruker SMART 6000' _diffrn_detector_area_resol_mean 44.52 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 14967 _diffrn_reflns_av_R_equivalents 0.0378 _diffrn_reflns_av_sigmaI/netI 0.0493 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 2.11 _diffrn_reflns_theta_max 30.04 _reflns_number_total 6465 _reflns_number_gt 5929 _reflns_threshold_expression >2sigma(I) _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^)+(0.0266P)^2^+0.0000P] 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 riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.349(7) _refine_ls_number_reflns 6465 _refine_ls_number_parameters 263 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0342 _refine_ls_R_factor_gt 0.0288 _refine_ls_wR_factor_ref 0.0634 _refine_ls_wR_factor_gt 0.0613 _refine_ls_goodness_of_fit_ref 1.003 _refine_ls_restrained_S_all 1.003 _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 Br1 Br 0.883277(18) 0.930728(16) 0.15773(4) 0.01657(6) Uani 1 1 d . . . Br2 Br 0.916536(16) 0.697092(17) 0.13089(3) 0.01866(7) Uani 1 1 d . . . Zn1 Zn 0.898026(16) 0.805350(18) 0.32647(4) 0.01306(7) Uani 1 1 d . . . N1 N 0.81592(12) 0.79702(14) 0.4829(3) 0.0142(5) Uani 1 1 d . . . N2 N 0.96829(12) 0.82402(15) 0.5838(3) 0.0138(4) Uani 1 1 d . . . C1 C 0.76587(15) 0.72864(18) 0.4222(5) 0.0196(6) Uani 1 1 d . . . H1A H 0.7274 0.7315 0.4961 0.024 Uiso 1 1 calc R . . H1B H 0.7459 0.7358 0.2866 0.024 Uiso 1 1 calc R . . C2 C 0.79831(15) 0.64850(18) 0.4486(4) 0.0181(6) Uani 1 1 d . . . C3 C 0.82783(16) 0.58511(19) 0.4815(4) 0.0199(6) Uani 1 1 d . . . C4 C 0.87186(17) 0.51560(18) 0.5301(5) 0.0215(6) Uani 1 1 d . . . H4 H 0.8534 0.4621 0.5103 0.026 Uiso 1 1 calc R . . C5 C 0.93819(17) 0.52609(19) 0.6026(5) 0.0216(6) Uani 1 1 d . . . H5 H 0.9666 0.4796 0.6366 0.026 Uiso 1 1 calc R . . C6 C 0.96817(16) 0.60571(19) 0.6309(4) 0.0192(6) Uani 1 1 d . . . C7 C 0.98734(15) 0.67464(19) 0.6440(4) 0.0179(6) Uani 1 1 d . . . C8 C 1.01769(15) 0.75659(18) 0.6525(5) 0.0193(6) Uani 1 1 d . . . H8A H 1.0555 0.7569 0.5761 0.023 Uiso 1 1 calc R . . H8B H 1.0387 0.7682 0.7855 0.023 Uiso 1 1 calc R . . C9 C 0.85368(15) 0.78433(18) 0.6789(4) 0.0156(5) Uani 1 1 d . . . H9A H 0.8675 0.7264 0.6959 0.019 Uiso 1 1 calc R . . H9B H 0.8226 0.7972 0.7708 0.019 Uiso 1 1 calc R . . C10 C 0.91778(14) 0.83801(19) 0.7183(4) 0.0167(6) Uani 1 1 d . . . H10A H 0.9031 0.8958 0.7102 0.020 Uiso 1 1 calc R . . H10B H 0.9417 0.8278 0.8494 0.020 Uiso 1 1 calc R . . C11 C 0.77551(15) 0.87602(18) 0.4627(4) 0.0168(6) Uani 1 1 d . . . H11A H 0.8083 0.9214 0.4994 0.020 Uiso 1 1 calc R . . H11B H 0.7555 0.8835 0.3272 0.020 Uiso 1 1 calc R . . C12 C 0.71768(14) 0.88257(18) 0.5773(4) 0.0161(5) Uani 1 1 d . . . C13 C 0.64962(17) 0.86414(18) 0.4941(5) 0.0201(6) Uani 1 1 d . . . H13 H 0.6402 0.8471 0.3654 0.024 Uiso 1 1 calc R . . C14 C 0.59615(16) 0.8703(2) 0.5964(5) 0.0259(7) Uani 1 1 d . . . H14 H 0.5502 0.8574 0.5380 0.031 Uiso 1 1 calc R . . C15 C 0.60902(18) 0.8953(2) 0.7837(5) 0.0277(7) Uani 1 1 d . . . H15 H 0.5723 0.8978 0.8553 0.033 Uiso 1 1 calc R . . C16 C 0.67610(18) 0.9167(2) 0.8664(5) 0.0260(7) Uani 1 1 d . . . H16 H 0.6851 0.9354 0.9939 0.031 Uiso 1 1 calc R . . C17 C 0.72984(16) 0.91061(19) 0.7629(5) 0.0205(6) Uani 1 1 d . . . H17 H 0.7755 0.9258 0.8197 0.025 Uiso 1 1 calc R . . C18 C 1.01024(15) 0.90148(18) 0.5854(4) 0.0174(6) Uani 1 1 d . . . H18A H 0.9798 0.9449 0.5215 0.021 Uiso 1 1 calc R . . H18B H 1.0252 0.9185 0.7188 0.021 Uiso 1 1 calc R . . C19 C 1.07326(16) 0.89530(18) 0.4914(4) 0.0174(6) Uani 1 1 d . . . C20 C 1.06957(16) 0.8751(2) 0.3011(5) 0.0269(7) Uani 1 1 d . . . H20 H 1.0257 0.8645 0.2257 0.032 Uiso 1 1 calc R . . C21 C 1.12844(19) 0.8703(3) 0.2209(5) 0.0350(9) Uani 1 1 d . . . H21 H 1.1251 0.8548 0.0917 0.042 Uiso 1 1 calc R . . C22 C 1.19302(19) 0.8879(3) 0.3274(6) 0.0345(9) Uani 1 1 d . . . H22 H 1.2336 0.8855 0.2711 0.041 Uiso 1 1 calc R . . C23 C 1.19727(18) 0.9088(3) 0.5143(6) 0.0366(9) Uani 1 1 d . . . H23 H 1.2411 0.9206 0.5883 0.044 Uiso 1 1 calc R . . C24 C 1.13831(18) 0.9127(2) 0.5959(5) 0.0284(8) Uani 1 1 d . . . H24 H 1.1421 0.9275 0.7256 0.034 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 Br1 0.02080(12) 0.01262(11) 0.01687(12) 0.00243(11) 0.00486(9) 0.00036(12) Br2 0.02658(15) 0.01311(13) 0.01743(13) -0.00129(12) 0.00699(11) 0.00203(12) Zn1 0.01373(15) 0.01235(15) 0.01354(16) -0.00001(13) 0.00353(12) 0.00038(12) N1 0.0150(11) 0.0115(11) 0.0160(11) 0.0007(9) 0.0022(9) -0.0002(8) N2 0.0123(10) 0.0143(11) 0.0155(11) -0.0001(9) 0.0048(9) -0.0002(9) C1 0.0149(13) 0.0159(14) 0.0277(16) -0.0009(12) 0.0024(12) -0.0004(11) C2 0.0141(13) 0.0190(14) 0.0218(14) 0.0003(12) 0.0048(11) -0.0039(11) C3 0.0197(14) 0.0199(15) 0.0215(14) 0.0014(12) 0.0077(12) -0.0039(12) C4 0.0300(16) 0.0099(13) 0.0263(16) 0.0004(12) 0.0099(13) 0.0011(12) C5 0.0275(16) 0.0141(14) 0.0242(16) 0.0037(12) 0.0076(12) 0.0058(12) C6 0.0177(14) 0.0231(15) 0.0171(14) 0.0026(12) 0.0036(11) 0.0052(12) C7 0.0158(13) 0.0199(14) 0.0176(13) 0.0019(11) 0.0015(11) 0.0043(11) C8 0.0152(13) 0.0158(14) 0.0261(15) 0.0024(12) 0.0009(11) 0.0020(11) C9 0.0164(13) 0.0157(13) 0.0151(13) 0.0025(11) 0.0042(10) -0.0005(11) C10 0.0181(13) 0.0199(14) 0.0125(13) -0.0019(11) 0.0035(11) 0.0035(11) C11 0.0169(13) 0.0139(13) 0.0203(14) 0.0014(11) 0.0051(11) 0.0038(10) C12 0.0130(12) 0.0156(13) 0.0200(14) 0.0019(11) 0.0039(11) 0.0047(10) C13 0.0165(14) 0.0226(14) 0.0215(16) -0.0040(13) 0.0036(11) -0.0005(12) C14 0.0146(14) 0.0312(18) 0.0330(18) -0.0017(15) 0.0073(13) 0.0018(13) C15 0.0217(16) 0.0339(19) 0.0302(18) -0.0016(15) 0.0124(14) 0.0065(14) C16 0.0289(17) 0.0288(17) 0.0207(15) -0.0041(13) 0.0049(13) 0.0058(14) C17 0.0167(14) 0.0212(15) 0.0228(15) -0.0025(12) 0.0006(12) 0.0019(12) C18 0.0168(14) 0.0163(14) 0.0188(14) -0.0037(11) 0.0023(11) -0.0014(11) C19 0.0161(14) 0.0158(14) 0.0209(14) 0.0010(11) 0.0052(11) -0.0016(11) C20 0.0132(14) 0.042(2) 0.0256(17) -0.0087(15) 0.0051(12) -0.0046(13) C21 0.0297(19) 0.050(2) 0.0279(18) -0.0101(17) 0.0116(15) -0.0035(17) C22 0.0203(17) 0.044(2) 0.042(2) 0.0028(18) 0.0144(15) -0.0029(15) C23 0.0147(15) 0.061(3) 0.033(2) 0.0051(18) 0.0019(14) -0.0117(16) C24 0.0222(16) 0.038(2) 0.0247(16) 0.0020(15) 0.0035(13) -0.0102(15) _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 Br1 Zn1 2.3782(5) . ? Br2 Zn1 2.3265(4) . ? Zn1 N1 2.110(3) . ? Zn1 N2 2.127(2) . ? N1 C9 1.486(4) . ? N1 C1 1.505(4) . ? N1 C11 1.513(4) . ? N2 C8 1.497(4) . ? N2 C10 1.507(4) . ? N2 C18 1.512(4) . ? C1 C2 1.459(4) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 C3 1.194(4) . ? C3 C4 1.436(4) . ? C4 C5 1.326(5) . ? C4 H4 0.9500 . ? C5 C6 1.433(4) . ? C5 H5 0.9500 . ? C6 C7 1.190(4) . ? C7 C8 1.467(4) . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? C9 C10 1.520(4) . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C11 C12 1.508(4) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 C17 1.388(4) . ? C12 C13 1.398(4) . ? C13 C14 1.377(5) . ? C13 H13 0.9500 . ? C14 C15 1.383(5) . ? C14 H14 0.9500 . ? C15 C16 1.391(5) . ? C15 H15 0.9500 . ? C16 C17 1.387(5) . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? C18 C19 1.503(4) . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C19 C20 1.391(4) . ? C19 C24 1.393(4) . ? C20 C21 1.372(5) . ? C20 H20 0.9500 . ? C21 C22 1.392(5) . ? C21 H21 0.9500 . ? C22 C23 1.369(6) . ? C22 H22 0.9500 . ? C23 C24 1.378(5) . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? 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 Zn1 N2 89.40(9) . . ? N1 Zn1 Br2 118.57(6) . . ? N2 Zn1 Br2 119.16(7) . . ? N1 Zn1 Br1 106.66(6) . . ? N2 Zn1 Br1 108.70(7) . . ? Br2 Zn1 Br1 111.913(17) . . ? C9 N1 C1 111.4(2) . . ? C9 N1 C11 112.3(2) . . ? C1 N1 C11 107.9(2) . . ? C9 N1 Zn1 101.95(17) . . ? C1 N1 Zn1 114.29(18) . . ? C11 N1 Zn1 109.00(17) . . ? C8 N2 C10 111.0(2) . . ? C8 N2 C18 107.4(2) . . ? C10 N2 C18 106.2(2) . . ? C8 N2 Zn1 117.78(18) . . ? C10 N2 Zn1 100.16(16) . . ? C18 N2 Zn1 113.53(17) . . ? C2 C1 N1 112.7(2) . . ? C2 C1 H1A 109.0 . . ? N1 C1 H1A 109.0 . . ? C2 C1 H1B 109.0 . . ? N1 C1 H1B 109.0 . . ? H1A C1 H1B 107.8 . . ? C3 C2 C1 175.3(3) . . ? C2 C3 C4 172.0(3) . . ? C5 C4 C3 120.0(3) . . ? C5 C4 H4 120.0 . . ? C3 C4 H4 120.0 . . ? C4 C5 C6 121.6(3) . . ? C4 C5 H5 119.2 . . ? C6 C5 H5 119.2 . . ? C7 C6 C5 173.6(3) . . ? C6 C7 C8 173.8(3) . . ? C7 C8 N2 115.4(2) . . ? C7 C8 H8A 108.4 . . ? N2 C8 H8A 108.4 . . ? C7 C8 H8B 108.4 . . ? N2 C8 H8B 108.4 . . ? H8A C8 H8B 107.5 . . ? N1 C9 C10 111.0(2) . . ? N1 C9 H9A 109.4 . . ? C10 C9 H9A 109.4 . . ? N1 C9 H9B 109.4 . . ? C10 C9 H9B 109.4 . . ? H9A C9 H9B 108.0 . . ? N2 C10 C9 113.7(2) . . ? N2 C10 H10A 108.8 . . ? C9 C10 H10A 108.8 . . ? N2 C10 H10B 108.8 . . ? C9 C10 H10B 108.8 . . ? H10A C10 H10B 107.7 . . ? C12 C11 N1 115.9(2) . . ? C12 C11 H11A 108.3 . . ? N1 C11 H11A 108.3 . . ? C12 C11 H11B 108.3 . . ? N1 C11 H11B 108.3 . . ? H11A C11 H11B 107.4 . . ? C17 C12 C13 118.6(3) . . ? C17 C12 C11 121.3(3) . . ? C13 C12 C11 120.0(3) . . ? C14 C13 C12 120.8(3) . . ? C14 C13 H13 119.6 . . ? C12 C13 H13 119.6 . . ? C13 C14 C15 120.3(3) . . ? C13 C14 H14 119.8 . . ? C15 C14 H14 119.8 . . ? C14 C15 C16 119.5(3) . . ? C14 C15 H15 120.2 . . ? C16 C15 H15 120.2 . . ? C17 C16 C15 120.0(3) . . ? C17 C16 H16 120.0 . . ? C15 C16 H16 120.0 . . ? C16 C17 C12 120.7(3) . . ? C16 C17 H17 119.7 . . ? C12 C17 H17 119.7 . . ? C19 C18 N2 115.1(2) . . ? C19 C18 H18A 108.5 . . ? N2 C18 H18A 108.5 . . ? C19 C18 H18B 108.5 . . ? N2 C18 H18B 108.5 . . ? H18A C18 H18B 107.5 . . ? C20 C19 C24 117.8(3) . . ? C20 C19 C18 122.8(3) . . ? C24 C19 C18 119.4(3) . . ? C21 C20 C19 120.8(3) . . ? C21 C20 H20 119.6 . . ? C19 C20 H20 119.6 . . ? C20 C21 C22 120.5(3) . . ? C20 C21 H21 119.7 . . ? C22 C21 H21 119.7 . . ? C23 C22 C21 119.2(3) . . ? C23 C22 H22 120.4 . . ? C21 C22 H22 120.4 . . ? C22 C23 C24 120.4(3) . . ? C22 C23 H23 119.8 . . ? C24 C23 H23 119.8 . . ? C23 C24 C19 121.2(3) . . ? C23 C24 H24 119.4 . . ? C19 C24 H24 119.4 . . ? 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 N2 Zn1 N1 C9 -15.79(17) . . . . ? Br2 Zn1 N1 C9 107.52(16) . . . . ? Br1 Zn1 N1 C9 -125.15(15) . . . . ? N2 Zn1 N1 C1 -136.12(19) . . . . ? Br2 Zn1 N1 C1 -12.8(2) . . . . ? Br1 Zn1 N1 C1 114.52(18) . . . . ? N2 Zn1 N1 C11 103.13(18) . . . . ? Br2 Zn1 N1 C11 -133.57(15) . . . . ? Br1 Zn1 N1 C11 -6.24(18) . . . . ? N1 Zn1 N2 C8 109.1(2) . . . . ? Br2 Zn1 N2 C8 -13.7(2) . . . . ? Br1 Zn1 N2 C8 -143.48(18) . . . . ? N1 Zn1 N2 C10 -11.33(17) . . . . ? Br2 Zn1 N2 C10 -134.13(15) . . . . ? Br1 Zn1 N2 C10 96.08(16) . . . . ? N1 Zn1 N2 C18 -124.16(18) . . . . ? Br2 Zn1 N2 C18 113.04(17) . . . . ? Br1 Zn1 N2 C18 -16.75(19) . . . . ? C9 N1 C1 C2 -52.2(3) . . . . ? C11 N1 C1 C2 -175.9(2) . . . . ? Zn1 N1 C1 C2 62.7(3) . . . . ? N1 C1 C2 C3 34(4) . . . . ? C1 C2 C3 C4 -35(6) . . . . ? C2 C3 C4 C5 1(3) . . . . ? C3 C4 C5 C6 -1.3(5) . . . . ? C4 C5 C6 C7 -12(3) . . . . ? C5 C6 C7 C8 -126(3) . . . . ? C6 C7 C8 N2 138(3) . . . . ? C10 N2 C8 C7 69.7(3) . . . . ? C18 N2 C8 C7 -174.5(3) . . . . ? Zn1 N2 C8 C7 -44.9(3) . . . . ? C1 N1 C9 C10 163.1(2) . . . . ? C11 N1 C9 C10 -75.7(3) . . . . ? Zn1 N1 C9 C10 40.8(2) . . . . ? C8 N2 C10 C9 -87.0(3) . . . . ? C18 N2 C10 C9 156.5(2) . . . . ? Zn1 N2 C10 C9 38.2(3) . . . . ? N1 C9 C10 N2 -58.3(3) . . . . ? C9 N1 C11 C12 -63.7(3) . . . . ? C1 N1 C11 C12 59.5(3) . . . . ? Zn1 N1 C11 C12 -175.9(2) . . . . ? N1 C11 C12 C17 87.2(3) . . . . ? N1 C11 C12 C13 -96.1(3) . . . . ? C17 C12 C13 C14 -2.7(5) . . . . ? C11 C12 C13 C14 -179.6(3) . . . . ? C12 C13 C14 C15 0.3(5) . . . . ? C13 C14 C15 C16 2.0(5) . . . . ? C14 C15 C16 C17 -1.8(5) . . . . ? C15 C16 C17 C12 -0.7(5) . . . . ? C13 C12 C17 C16 2.9(5) . . . . ? C11 C12 C17 C16 179.7(3) . . . . ? C8 N2 C18 C19 49.4(3) . . . . ? C10 N2 C18 C19 168.3(2) . . . . ? Zn1 N2 C18 C19 -82.6(3) . . . . ? N2 C18 C19 C20 60.3(4) . . . . ? N2 C18 C19 C24 -121.7(3) . . . . ? C24 C19 C20 C21 1.8(6) . . . . ? C18 C19 C20 C21 179.9(3) . . . . ? C19 C20 C21 C22 -1.9(6) . . . . ? C20 C21 C22 C23 1.1(6) . . . . ? C21 C22 C23 C24 -0.3(7) . . . . ? C22 C23 C24 C19 0.3(6) . . . . ? C20 C19 C24 C23 -1.0(6) . . . . ? C18 C19 C24 C23 -179.2(3) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 30.04 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.705 _refine_diff_density_min -0.370 _refine_diff_density_rms 0.084 _cod_database_code 5000305