#------------------------------------------------------------------------------ #$Date: 2011-01-02 22:00:31 +0200 (Sun, 02 Jan 2011) $ #$Revision: 5310 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2207343.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2207343 loop_ _publ_author_name 'Dong-Zhao Gao' 'Shou-Rong Zhu' 'Hua-Kuan Lin' _publ_section_title ; Trichloro[\m-2,2,N-tris(2-pyridylmethylamino)acetamido]dizinc(II) ; _journal_coeditor_code SJ6135 _journal_issue 11 _journal_name_full 'Acta Crystallographica, Section E' _journal_page_first m2359 _journal_page_last m2361 _journal_volume 61 _journal_year 2005 _chemical_formula_iupac '[Zn2 (C20 H20 N5 O) Cl3]' _chemical_formula_moiety 'C20 H20 Cl3 N5 O Zn2' _chemical_formula_sum 'C20 H20 Cl3 N5 O Zn2' _chemical_formula_weight 583.50 _chemical_name_systematic ; Trichloro[\m-2,2,N-tris(2-pyridylmethylamino)acetamido]dizinc(II) ; _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 63.600(4) _cell_angle_beta 81.880(5) _cell_angle_gamma 85.524(5) _cell_formula_units_Z 2 _cell_length_a 8.371(3) _cell_length_b 12.462(4) _cell_length_c 12.719(4) _cell_measurement_reflns_used 814 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 26.15 _cell_measurement_theta_min 2.92 _cell_volume 1176.4(6) _computing_cell_refinement 'SMART [Or SAINT?]' _computing_data_collection 'SMART (Bruker, 1998)' _computing_data_reduction 'SAINT (Bruker, 1998)' _computing_molecular_graphics 'SHELXTL (Bruker, 1998)' _computing_publication_material SHELXTL _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.980 _diffrn_measured_fraction_theta_max 0.980 _diffrn_measurement_device_type 'Bruker SMART CCD area-detector' _diffrn_measurement_method '\f and \w' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0212 _diffrn_reflns_av_sigmaI/netI 0.0410 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 6780 _diffrn_reflns_theta_full 26.43 _diffrn_reflns_theta_max 26.43 _diffrn_reflns_theta_min 1.80 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.402 _exptl_absorpt_correction_T_max 0.786 _exptl_absorpt_correction_T_min 0.593 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Sheldrick, 1996)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.647 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 588 _exptl_crystal_size_max 0.36 _exptl_crystal_size_mid 0.32 _exptl_crystal_size_min 0.10 _refine_diff_density_max 0.438 _refine_diff_density_min -0.387 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.004 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 280 _refine_ls_number_reflns 4738 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.004 _refine_ls_R_factor_all 0.0510 _refine_ls_R_factor_gt 0.0325 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0253P)^2^+0.6148P] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0682 _refine_ls_wR_factor_ref 0.0757 _reflns_number_gt 3645 _reflns_number_total 4738 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file sj6135.cif _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_database_code 2207343 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_type_symbol Zn1 0.74592(4) 0.25877(3) 0.30750(3) 0.04103(10) Uani d . 1 Zn Zn2 0.65728(4) 0.32432(3) 0.72585(3) 0.04156(11) Uani d . 1 Zn Cl1 0.63358(12) 0.14846(9) 0.23518(8) 0.0683(3) Uani d . 1 Cl Cl2 0.62572(11) 0.50988(8) 0.70815(9) 0.0624(2) Uani d . 1 Cl Cl3 0.90633(10) 0.24150(7) 0.75584(8) 0.0558(2) Uani d . 1 Cl N1 0.7718(3) 0.4234(2) 0.1558(2) 0.0422(6) Uani d . 1 N N2 0.9673(3) 0.1649(2) 0.3485(2) 0.0439(6) Uani d . 1 N N3 0.8726(3) 0.3712(2) 0.36961(19) 0.0369(5) Uani d . 1 N N4 0.5576(3) 0.2846(2) 0.6124(2) 0.0397(6) Uani d . 1 N N5 0.4885(3) 0.2076(2) 0.8475(2) 0.0425(6) Uani d . 1 N O1 0.5970(2) 0.23704(16) 0.45539(16) 0.0385(4) Uani d . 1 O C1 0.7059(4) 0.4486(3) 0.0567(3) 0.0537(8) Uani d . 1 C H1 0.6453 0.3903 0.0547 0.064 Uiso calc R 1 H C2 0.7246(5) 0.5575(4) -0.0422(3) 0.0651(10) Uani d . 1 C H2 0.6774 0.5724 -0.1094 0.078 Uiso calc R 1 H C3 0.8146(5) 0.6433(3) -0.0387(3) 0.0657(10) Uani d . 1 C H3 0.8301 0.7171 -0.1044 0.079 Uiso calc R 1 H C4 0.8814(5) 0.6197(3) 0.0621(3) 0.0575(9) Uani d . 1 C H4 0.9406 0.6776 0.0661 0.069 Uiso calc R 1 H C5 0.8593(4) 0.5082(3) 0.1579(3) 0.0438(7) Uani d . 1 C C6 0.9449(4) 0.4745(3) 0.2656(3) 0.0502(8) Uani d . 1 C H6A 1.0572 0.4559 0.2479 0.060 Uiso calc R 1 H H6B 0.9416 0.5425 0.2838 0.060 Uiso calc R 1 H C7 0.9977(4) 0.2931(3) 0.4419(3) 0.0495(8) Uani d . 1 C H7A 0.9506 0.2520 0.5236 0.059 Uiso calc R 1 H H7B 1.0841 0.3424 0.4386 0.059 Uiso calc R 1 H C8 1.0667(4) 0.2017(3) 0.3996(3) 0.0452(7) Uani d . 1 C C9 1.2199(4) 0.1511(3) 0.4217(3) 0.0589(9) Uani d . 1 C H9 1.2892 0.1817 0.4524 0.071 Uiso calc R 1 H C10 1.2674(5) 0.0557(3) 0.3976(3) 0.0679(10) Uani d . 1 C H10 1.3680 0.0193 0.4141 0.082 Uiso calc R 1 H C11 1.1649(5) 0.0148(3) 0.3490(3) 0.0646(10) Uani d . 1 C H11 1.1942 -0.0507 0.3334 0.078 Uiso calc R 1 H C12 1.0170(4) 0.0721(3) 0.3234(3) 0.0547(9) Uani d . 1 C H12 0.9496 0.0459 0.2877 0.066 Uiso calc R 1 H C13 0.7423(4) 0.4026(3) 0.4412(3) 0.0442(7) Uani d . 1 C H13A 0.6844 0.4730 0.3904 0.053 Uiso calc R 1 H H13B 0.7875 0.4214 0.4971 0.053 Uiso calc R 1 H C14 0.6257(3) 0.2985(2) 0.5082(2) 0.0374(6) Uani d . 1 C C15 0.4274(4) 0.1974(3) 0.6699(3) 0.0456(7) Uani d . 1 C H15A 0.4571 0.1264 0.6581 0.055 Uiso calc R 1 H H15B 0.3301 0.2316 0.6330 0.055 Uiso calc R 1 H C16 0.3929(4) 0.1619(3) 0.8013(3) 0.0403(7) Uani d . 1 C C17 0.2708(4) 0.0835(3) 0.8710(3) 0.0506(8) Uani d . 1 C H17 0.2039 0.0544 0.8374 0.061 Uiso calc R 1 H C18 0.2498(5) 0.0488(3) 0.9918(3) 0.0623(10) Uani d . 1 C H18 0.1691 -0.0044 1.0403 0.075 Uiso calc R 1 H C19 0.3499(5) 0.0941(3) 1.0394(3) 0.0615(10) Uani d . 1 C H19 0.3381 0.0713 1.1203 0.074 Uiso calc R 1 H C20 0.4667(4) 0.1728(3) 0.9659(3) 0.0551(9) Uani d . 1 C H20 0.5335 0.2035 0.9981 0.066 Uiso calc R 1 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Zn1 0.0454(2) 0.0480(2) 0.03685(19) -0.01392(16) -0.00059(15) -0.02416(17) Zn2 0.0424(2) 0.0484(2) 0.0430(2) -0.00396(16) -0.00733(15) -0.02715(17) Cl1 0.0788(6) 0.0827(6) 0.0663(6) -0.0319(5) -0.0007(5) -0.0508(5) Cl2 0.0580(5) 0.0573(5) 0.0905(7) 0.0064(4) -0.0227(5) -0.0462(5) Cl3 0.0475(4) 0.0570(5) 0.0668(5) 0.0035(4) -0.0163(4) -0.0287(4) N1 0.0413(14) 0.0528(15) 0.0339(13) -0.0080(12) -0.0014(11) -0.0200(12) N2 0.0491(15) 0.0404(14) 0.0411(14) -0.0070(12) 0.0039(12) -0.0186(12) N3 0.0388(13) 0.0409(13) 0.0328(12) -0.0101(11) -0.0019(10) -0.0170(11) N4 0.0403(13) 0.0498(14) 0.0361(13) -0.0088(11) -0.0032(11) -0.0244(12) N5 0.0452(14) 0.0489(15) 0.0363(13) 0.0028(12) -0.0044(11) -0.0222(12) O1 0.0437(11) 0.0422(11) 0.0361(10) -0.0092(9) -0.0014(9) -0.0227(9) C1 0.0473(19) 0.074(2) 0.0472(19) 0.0006(17) -0.0081(15) -0.0328(19) C2 0.069(2) 0.087(3) 0.0362(19) 0.018(2) -0.0121(17) -0.025(2) C3 0.081(3) 0.060(2) 0.0382(19) 0.009(2) 0.0026(18) -0.0104(17) C4 0.070(2) 0.0489(19) 0.047(2) -0.0086(17) 0.0020(17) -0.0169(16) C5 0.0464(17) 0.0460(17) 0.0385(16) -0.0051(14) 0.0024(13) -0.0196(14) C6 0.0515(19) 0.0512(19) 0.0467(18) -0.0198(15) -0.0002(15) -0.0191(16) C7 0.0472(18) 0.058(2) 0.0469(18) -0.0056(16) -0.0093(15) -0.0247(16) C8 0.0433(17) 0.0476(18) 0.0414(17) -0.0081(14) 0.0018(14) -0.0172(15) C9 0.0456(19) 0.068(2) 0.057(2) -0.0048(17) -0.0014(16) -0.0231(19) C10 0.060(2) 0.059(2) 0.066(2) 0.0046(19) 0.009(2) -0.017(2) C11 0.074(3) 0.0439(19) 0.061(2) -0.0045(19) 0.023(2) -0.0180(18) C12 0.065(2) 0.0454(19) 0.0497(19) -0.0158(17) 0.0113(17) -0.0204(16) C13 0.0493(18) 0.0452(17) 0.0449(17) -0.0102(14) -0.0045(14) -0.0245(15) C14 0.0359(15) 0.0408(16) 0.0385(16) -0.0005(12) -0.0080(12) -0.0193(14) C15 0.0445(17) 0.0571(19) 0.0423(17) -0.0134(15) -0.0028(14) -0.0268(15) C16 0.0405(16) 0.0415(16) 0.0398(16) 0.0016(13) -0.0037(13) -0.0195(14) C17 0.0457(18) 0.0495(19) 0.054(2) -0.0044(15) -0.0008(15) -0.0209(16) C18 0.060(2) 0.059(2) 0.052(2) -0.0021(18) 0.0137(18) -0.0151(18) C19 0.075(3) 0.064(2) 0.0364(18) 0.010(2) 0.0034(17) -0.0187(17) C20 0.068(2) 0.064(2) 0.0384(18) 0.0098(18) -0.0096(16) -0.0275(17) 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.' Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4.' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag O1 Zn1 N1 122.96(9) y O1 Zn1 N2 111.63(9) y N1 Zn1 N2 113.04(9) y O1 Zn1 N3 79.42(8) y N1 Zn1 N3 77.58(9) y N2 Zn1 N3 77.45(9) y O1 Zn1 Cl1 104.55(6) y N1 Zn1 Cl1 100.28(7) y N2 Zn1 Cl1 100.51(8) y N3 Zn1 Cl1 176.01(6) y N4 Zn2 N5 82.86(10) y N4 Zn2 Cl2 117.91(8) y N5 Zn2 Cl2 113.84(7) y N4 Zn2 Cl3 111.70(8) y N5 Zn2 Cl3 109.61(7) y Cl2 Zn2 Cl3 116.19(4) y C5 N1 C1 118.2(3) ? C5 N1 Zn1 118.13(19) ? C1 N1 Zn1 123.7(2) ? C8 N2 C12 117.9(3) ? C8 N2 Zn1 118.1(2) ? C12 N2 Zn1 124.0(2) ? C13 N3 C6 114.2(2) ? C13 N3 C7 111.9(2) ? C6 N3 C7 111.4(2) ? C13 N3 Zn1 102.90(16) ? C6 N3 Zn1 108.73(17) ? C7 N3 Zn1 107.10(17) ? C14 N4 C15 117.4(2) ? C14 N4 Zn2 125.74(19) ? C15 N4 Zn2 113.41(17) ? C16 N5 C20 118.7(3) ? C16 N5 Zn2 114.27(19) ? C20 N5 Zn2 127.0(2) ? C14 O1 Zn1 117.23(18) ? N1 C1 C2 122.8(3) ? N1 C1 H1 118.6 ? C2 C1 H1 118.6 ? C3 C2 C1 118.3(3) ? C3 C2 H2 120.8 ? C1 C2 H2 120.8 ? C4 C3 C2 119.7(3) ? C4 C3 H3 120.1 ? C2 C3 H3 120.1 ? C3 C4 C5 119.0(3) ? C3 C4 H4 120.5 ? C5 C4 H4 120.5 ? N1 C5 C4 122.0(3) ? N1 C5 C6 117.4(3) ? C4 C5 C6 120.5(3) ? N3 C6 C5 112.6(2) ? N3 C6 H6A 109.1 ? C5 C6 H6A 109.1 ? N3 C6 H6B 109.1 ? C5 C6 H6B 109.1 ? H6A C6 H6B 107.8 ? N3 C7 C8 112.2(2) ? N3 C7 H7A 109.2 ? C8 C7 H7A 109.2 ? N3 C7 H7B 109.2 ? C8 C7 H7B 109.2 ? H7A C7 H7B 107.9 ? N2 C8 C9 122.1(3) ? N2 C8 C7 116.2(3) ? C9 C8 C7 121.5(3) ? C10 C9 C8 119.2(4) ? C10 C9 H9 120.4 ? C8 C9 H9 120.4 ? C11 C10 C9 119.2(4) ? C11 C10 H10 120.4 ? C9 C10 H10 120.4 ? C10 C11 C12 119.2(3) ? C10 C11 H11 120.4 ? C12 C11 H11 120.4 ? N2 C12 C11 122.3(3) ? N2 C12 H12 118.8 ? C11 C12 H12 118.8 ? N3 C13 C14 110.4(2) ? N3 C13 H13A 109.6 ? C14 C13 H13A 109.6 ? N3 C13 H13B 109.6 ? C14 C13 H13B 109.6 ? H13A C13 H13B 108.1 ? O1 C14 N4 125.7(3) y O1 C14 C13 117.4(2) ? N4 C14 C13 116.7(2) y N4 C15 C16 112.2(2) ? N4 C15 H15A 109.2 ? C16 C15 H15A 109.2 ? N4 C15 H15B 109.2 ? C16 C15 H15B 109.2 ? H15A C15 H15B 107.9 ? N5 C16 C17 121.6(3) ? N5 C16 C15 117.2(3) ? C17 C16 C15 121.2(3) ? C16 C17 C18 118.9(3) ? C16 C17 H17 120.5 ? C18 C17 H17 120.5 ? C19 C18 C17 119.4(3) ? C19 C18 H18 120.3 ? C17 C18 H18 120.3 ? C20 C19 C18 119.0(3) ? C20 C19 H19 120.5 ? C18 C19 H19 120.5 ? N5 C20 C19 122.3(3) ? N5 C20 H20 118.9 ? C19 C20 H20 118.9 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Zn1 O1 2.0256(19) y Zn1 N1 2.100(2) y Zn1 N2 2.114(3) y Zn1 N3 2.273(2) y Zn1 Cl1 2.2783(9) y Zn2 N4 2.016(2) y Zn2 N5 2.051(3) y Zn2 Cl2 2.2196(11) y Zn2 Cl3 2.2575(11) y N1 C5 1.344(4) ? N1 C1 1.345(4) ? N2 C8 1.342(4) ? N2 C12 1.352(4) ? N3 C13 1.463(4) ? N3 C6 1.467(4) ? N3 C7 1.485(4) ? N4 C14 1.307(3) y N4 C15 1.469(4) ? N5 C16 1.345(4) ? N5 C20 1.358(4) ? O1 C14 1.275(3) y C1 C2 1.381(5) ? C1 H1 0.9300 ? C2 C3 1.375(5) ? C2 H2 0.9300 ? C3 C4 1.373(5) ? C3 H3 0.9300 ? C4 C5 1.385(4) ? C4 H4 0.9300 ? C5 C6 1.513(4) ? C6 H6A 0.9700 ? C6 H6B 0.9700 ? C7 C8 1.509(4) ? C7 H7A 0.9700 ? C7 H7B 0.9700 ? C8 C9 1.393(5) ? C9 C10 1.371(5) ? C9 H9 0.9300 ? C10 C11 1.371(5) ? C10 H10 0.9300 ? C11 C12 1.385(5) ? C11 H11 0.9300 ? C12 H12 0.9300 ? C13 C14 1.530(4) ? C13 H13A 0.9700 ? C13 H13B 0.9700 ? C15 C16 1.517(4) ? C15 H15A 0.9700 ? C15 H15B 0.9700 ? C16 C17 1.384(4) ? C17 C18 1.387(5) ? C17 H17 0.9300 ? C18 C19 1.382(5) ? C18 H18 0.9300 ? C19 C20 1.367(5) ? C19 H19 0.9300 ? C20 H20 0.9300 ? 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 O1 Zn1 N1 C5 75.6(2) N2 Zn1 N1 C5 -63.3(2) N3 Zn1 N1 C5 7.1(2) Cl1 Zn1 N1 C5 -169.5(2) O1 Zn1 N1 C1 -104.5(2) N2 Zn1 N1 C1 116.7(2) N3 Zn1 N1 C1 -172.9(3) Cl1 Zn1 N1 C1 10.5(2) O1 Zn1 N2 C8 -66.7(2) N1 Zn1 N2 C8 76.9(2) N3 Zn1 N2 C8 6.4(2) Cl1 Zn1 N2 C8 -177.1(2) O1 Zn1 N2 C12 115.2(2) N1 Zn1 N2 C12 -101.2(2) N3 Zn1 N2 C12 -171.7(2) Cl1 Zn1 N2 C12 4.8(2) O1 Zn1 N3 C13 -23.87(17) N1 Zn1 N3 C13 103.57(18) N2 Zn1 N3 C13 -139.06(18) Cl1 Zn1 N3 C13 161.4(9) O1 Zn1 N3 C6 -145.3(2) N1 Zn1 N3 C6 -17.84(19) N2 Zn1 N3 C6 99.5(2) Cl1 Zn1 N3 C6 40.0(11) O1 Zn1 N3 C7 94.26(18) N1 Zn1 N3 C7 -138.30(19) N2 Zn1 N3 C7 -20.93(18) Cl1 Zn1 N3 C7 -80.4(10) N5 Zn2 N4 C14 -159.3(3) Cl2 Zn2 N4 C14 87.4(2) Cl3 Zn2 N4 C14 -51.0(3) N5 Zn2 N4 C15 -1.1(2) Cl2 Zn2 N4 C15 -114.30(19) Cl3 Zn2 N4 C15 107.3(2) N4 Zn2 N5 C16 -1.0(2) Cl2 Zn2 N5 C16 116.44(19) Cl3 Zn2 N5 C16 -111.53(19) N4 Zn2 N5 C20 178.3(3) Cl2 Zn2 N5 C20 -64.3(3) Cl3 Zn2 N5 C20 67.7(3) N1 Zn1 O1 C14 -61.4(2) N2 Zn1 O1 C14 78.0(2) N3 Zn1 O1 C14 6.2(2) Cl1 Zn1 O1 C14 -174.23(19) C5 N1 C1 C2 0.0(5) Zn1 N1 C1 C2 -179.9(2) N1 C1 C2 C3 0.1(5) C1 C2 C3 C4 -0.7(5) C2 C3 C4 C5 1.3(5) C1 N1 C5 C4 0.6(4) Zn1 N1 C5 C4 -179.4(2) C1 N1 C5 C6 -174.6(3) Zn1 N1 C5 C6 5.4(4) C3 C4 C5 N1 -1.3(5) C3 C4 C5 C6 173.8(3) C13 N3 C6 C5 -88.8(3) C7 N3 C6 C5 143.2(3) Zn1 N3 C6 C5 25.5(3) N1 C5 C6 N3 -21.8(4) C4 C5 C6 N3 162.9(3) C13 N3 C7 C8 144.2(2) C6 N3 C7 C8 -86.7(3) Zn1 N3 C7 C8 32.1(3) C12 N2 C8 C9 3.1(4) Zn1 N2 C8 C9 -175.1(2) C12 N2 C8 C7 -171.6(3) Zn1 N2 C8 C7 10.2(3) N3 C7 C8 N2 -29.7(4) N3 C7 C8 C9 155.6(3) N2 C8 C9 C10 -4.3(5) C7 C8 C9 C10 170.1(3) C8 C9 C10 C11 2.0(5) C9 C10 C11 C12 1.2(5) C8 N2 C12 C11 0.2(4) Zn1 N2 C12 C11 178.3(2) C10 C11 C12 N2 -2.4(5) C6 N3 C13 C14 153.6(2) C7 N3 C13 C14 -78.7(3) Zn1 N3 C13 C14 36.0(2) Zn1 O1 C14 N4 -169.9(2) Zn1 O1 C14 C13 13.9(3) C15 N4 C14 O1 -5.4(4) Zn2 N4 C14 O1 152.2(2) C15 N4 C14 C13 170.8(3) Zn2 N4 C14 C13 -31.6(4) N3 C13 C14 O1 -36.7(3) N3 C13 C14 N4 146.8(3) C14 N4 C15 C16 162.9(3) Zn2 N4 C15 C16 2.7(3) C20 N5 C16 C17 1.9(4) Zn2 N5 C16 C17 -178.8(2) C20 N5 C16 C15 -176.5(3) Zn2 N5 C16 C15 2.8(3) N4 C15 C16 N5 -3.7(4) N4 C15 C16 C17 177.9(3) N5 C16 C17 C18 -1.8(5) C15 C16 C17 C18 176.5(3) C16 C17 C18 C19 0.6(5) C17 C18 C19 C20 0.5(5) C16 N5 C20 C19 -0.7(5) Zn2 N5 C20 C19 -180.0(2) C18 C19 C20 N5 -0.4(5)