#------------------------------------------------------------------------------ #$Date: 2025-08-19 07:12:48 +0100 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: svn://www.crystallography.net/cod/cif/2/01/27/2012760.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_2012760 loop_ _publ_author_name 'Kim, Bun-Joo' 'Lee, Yong-Min' 'Kim, Eun Hee' 'Kang, Sung Kwon' 'Choi, Sung-Nak' _publ_section_title ; (--)-\a-Isosparteine copper(II) diazide ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m361 _journal_page_last m362 _journal_paper_doi 10.1107/S0108270102008016 _journal_volume 58 _journal_year 2002 _chemical_formula_iupac '[Cu (N3)2 (C15 H26 N2)]' _chemical_formula_moiety 'C15 H26 Cu N8' _chemical_formula_sum 'C15 H26 Cu N8' _chemical_formula_weight 381.98 _chemical_name_common '(-)-\a-isosparteine copper(II) diazide' _chemical_name_systematic ; (Diazido-N)[(-)-\a-isosparteine-N,N']copper(II) ; _space_group_IT_number 19 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL97 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.1517(16) _cell_length_b 13.4955(12) _cell_length_c 15.486(2) _cell_measurement_reflns_used 40 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 12.56 _cell_measurement_theta_min 6.18 _cell_volume 1703.6(4) _computing_cell_refinement XSCANS _computing_data_collection 'XSCANS (Siemens, 1996)' _computing_data_reduction 'SHELXTL (Bruker, 1997)' _computing_molecular_graphics 'ORTEP-3 (Farrugia, 1997)' _computing_publication_material SHELXL97 _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method 2\q/\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 0.023 _diffrn_reflns_av_sigmaI/netI 0.103 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -1 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -1 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -1 _diffrn_reflns_number 2930 _diffrn_reflns_theta_full 27.49 _diffrn_reflns_theta_max 27.49 _diffrn_reflns_theta_min 2.00 _diffrn_standards_decay_% 0.0 _diffrn_standards_interval_time 97 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 1.297 _exptl_absorpt_correction_T_max 0.772 _exptl_absorpt_correction_T_min 0.717 _exptl_absorpt_correction_type '\y scan' _exptl_absorpt_process_details '(North et al., 1968)' _exptl_crystal_colour 'dark brown' _exptl_crystal_density_diffrn 1.489 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 804 _exptl_crystal_size_max 0.38 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.20 _refine_diff_density_max 0.68 _refine_diff_density_min -0.42 _refine_ls_abs_structure_details 'Flack (1983), 497 Friedel pairs' _refine_ls_abs_structure_Flack 0.00(3) _refine_ls_extinction_coef 0.0032(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL97 (Sheldrick, 1997)' _refine_ls_goodness_of_fit_ref 1.081 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 218 _refine_ls_number_reflns 2741 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.081 _refine_ls_R_factor_all 0.112 _refine_ls_R_factor_gt 0.052 _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^)+(0.0101P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.063 _refine_ls_wR_factor_ref 0.087 _reflns_number_gt 1431 _reflns_number_total 2741 _reflns_threshold_expression I>2\s(I) _cod_data_source_file gd1202.cif _cod_data_source_block I _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' 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 The following automatic conversions were performed: '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana The following automatic conversions were performed: '_exptl_crystal_density_meas' value 'not measured' was changed to '?' - the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas ; _cod_database_code 2012760 _cod_database_fobs_code 2012760 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Cu 0.90547(12) 0.93690(7) 0.64989(5) 0.0398(3) Uani d . 1 . . Cu N1 0.8474(6) 1.0047(4) 0.5363(3) 0.0356(15) Uani d . 1 . . N C2 0.9999(8) 1.0420(5) 0.4926(4) 0.048(2) Uani d . 1 . . C H2A 0.9708 1.0699 0.4370 0.058 Uiso calc R 1 . . H H2B 1.0735 0.9867 0.4825 0.058 Uiso calc R 1 . . H C3 1.0881(10) 1.1198(5) 0.5456(5) 0.054(2) Uani d . 1 . . C H3A 1.1818 1.1447 0.5136 0.064 Uiso calc R 1 . . H H3B 1.1277 1.0906 0.5989 0.064 Uiso calc R 1 . . H C4 0.9696(10) 1.2058(6) 0.5662(5) 0.064(3) Uani d . 1 . . C H4A 1.0231 1.2528 0.6042 0.076 Uiso calc R 1 . . H H4B 0.9404 1.2399 0.5132 0.076 Uiso calc R 1 . . H C5 0.8161(10) 1.1662(6) 0.6091(5) 0.060(3) Uani d . 1 . . C H5A 0.8447 1.1357 0.6638 0.072 Uiso calc R 1 . . H H5B 0.7412 1.2205 0.6206 0.072 Uiso calc R 1 . . H C6 0.7338(9) 1.0912(5) 0.5520(5) 0.043(2) Uani d . 1 . . C H6 0.7142 1.1231 0.4961 0.052 Uiso calc R 1 . . H C7 0.5687(9) 1.0531(6) 0.5847(5) 0.048(2) Uani d . 1 . . C H7 0.4972 1.1110 0.5913 0.057 Uiso calc R 1 . . H C8 0.6005(10) 0.8978(5) 0.5091(4) 0.047(2) Uani d . 1 . . C H8 0.5539 0.8542 0.4649 0.056 Uiso calc R 1 . . H N9 0.6614(7) 0.9066(4) 0.6680(3) 0.0409(17) Uani d . 1 . . N C10 0.6341(9) 0.8532(6) 0.7513(4) 0.058(3) Uani d . 1 . . C H10A 0.5175 0.8426 0.7595 0.070 Uiso calc R 1 . . H H10B 0.6734 0.8939 0.7986 0.070 Uiso calc R 1 . . H C11 0.7227(11) 0.7533(7) 0.7529(5) 0.071(3) Uani d . 1 . . C H11A 0.8402 0.7647 0.7516 0.085 Uiso calc R 1 . . H H11B 0.6970 0.7196 0.8065 0.085 Uiso calc R 1 . . H C12 0.6758(12) 0.6869(6) 0.6776(5) 0.084(4) Uani d . 1 . . C H12A 0.5621 0.6666 0.6828 0.101 Uiso calc R 1 . . H H12B 0.7440 0.6280 0.6772 0.101 Uiso calc R 1 . . H C13 0.7006(11) 0.7456(6) 0.5941(5) 0.064(3) Uani d . 1 . . C H13A 0.8161 0.7610 0.5873 0.077 Uiso calc R 1 . . H H13B 0.6670 0.7054 0.5453 0.077 Uiso calc R 1 . . H C14 0.6023(11) 0.8410(5) 0.5949(5) 0.047(2) Uani d . 1 . . C H14 0.4884 0.8230 0.6079 0.057 Uiso calc R 1 . . H C15 0.7699(8) 0.9307(6) 0.4786(4) 0.0444(19) Uani d . 1 . . C H15A 0.8407 0.8731 0.4747 0.053 Uiso calc R 1 . . H H15B 0.7602 0.9588 0.4212 0.053 Uiso calc R 1 . . H C16 0.5711(10) 0.9999(5) 0.6717(4) 0.049(2) Uani d . 1 . . C H16A 0.6212 1.0427 0.7145 0.059 Uiso calc R 1 . . H H16B 0.4592 0.9868 0.6897 0.059 Uiso calc R 1 . . H C17 0.4891(8) 0.9864(6) 0.5183(5) 0.057(2) Uani d . 1 . . C H17A 0.3810 0.9660 0.5374 0.069 Uiso calc R 1 . . H H17B 0.4783 1.0206 0.4635 0.069 Uiso calc R 1 . . H N18 1.1086(8) 0.8752(5) 0.6090(3) 0.0503(18) Uani d . 1 . . N N19 1.1597(7) 0.8046(5) 0.6476(4) 0.0447(16) Uani d . 1 . . N N20 1.2175(10) 0.7362(5) 0.6814(4) 0.071(2) Uani d . 1 . . N N21 0.9608(7) 0.9549(6) 0.7701(3) 0.056(2) Uani d . 1 . . N N22 1.0945(9) 0.9402(5) 0.7974(3) 0.0443(15) Uani d . 1 . . N N23 1.2228(8) 0.9254(6) 0.8278(4) 0.060(2) Uani d . 1 . . N 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 Cu 0.0370(5) 0.0503(5) 0.0322(4) 0.0032(6) -0.0009(5) 0.0000(6) N1 0.032(4) 0.043(4) 0.032(3) -0.001(3) 0.001(3) -0.004(3) C2 0.042(4) 0.061(6) 0.042(4) -0.008(5) -0.001(4) 0.009(4) C3 0.045(5) 0.059(5) 0.058(5) -0.016(6) -0.011(6) 0.016(4) C4 0.072(7) 0.044(5) 0.075(6) -0.004(5) -0.020(6) 0.004(5) C5 0.076(7) 0.043(5) 0.060(6) 0.008(5) 0.012(6) -0.006(5) C6 0.039(5) 0.050(6) 0.042(5) 0.016(4) -0.006(4) 0.010(4) C7 0.029(5) 0.044(5) 0.069(5) 0.017(5) -0.002(4) -0.003(5) C8 0.042(4) 0.059(5) 0.039(4) -0.010(5) -0.008(5) -0.001(4) N9 0.038(4) 0.053(4) 0.031(3) 0.007(3) 0.014(3) 0.003(3) C10 0.050(6) 0.076(6) 0.048(5) -0.004(5) 0.014(5) 0.025(5) C11 0.068(7) 0.077(7) 0.068(6) -0.003(7) 0.005(6) 0.031(6) C12 0.077(7) 0.044(5) 0.132(10) -0.010(6) -0.009(7) 0.025(6) C13 0.070(7) 0.038(5) 0.085(7) -0.007(6) -0.010(6) 0.001(5) C14 0.044(5) 0.042(5) 0.056(5) 0.003(5) -0.007(5) 0.005(4) C15 0.050(5) 0.054(5) 0.029(3) -0.017(5) -0.004(4) -0.006(4) C16 0.046(5) 0.053(5) 0.048(5) 0.012(5) 0.020(4) -0.001(4) C17 0.030(4) 0.086(7) 0.056(5) -0.004(5) -0.008(4) 0.014(5) N18 0.045(4) 0.068(4) 0.038(3) 0.017(5) 0.009(4) 0.012(3) N19 0.034(4) 0.055(4) 0.045(4) -0.003(3) 0.006(4) -0.010(4) N20 0.086(6) 0.060(5) 0.067(5) 0.021(5) -0.002(5) 0.009(4) N21 0.047(4) 0.090(6) 0.031(3) 0.008(5) -0.007(3) -0.011(4) N22 0.058(4) 0.045(4) 0.030(3) -0.005(6) 0.000(4) -0.004(4) N23 0.051(4) 0.069(5) 0.062(5) -0.004(5) -0.015(4) -0.004(5) 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' Cu Cu 0.3201 1.2651 '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 N21 Cu N18 99.6(2) yes N21 Cu N1 146.1(3) yes N18 Cu N1 96.2(2) yes N21 Cu N9 96.9(2) yes N18 Cu N9 141.2(3) yes N1 Cu N9 89.0(2) yes C15 N1 C2 107.9(5) ? C15 N1 C6 110.9(5) ? C2 N1 C6 108.8(5) ? C15 N1 Cu 108.5(4) ? C2 N1 Cu 110.3(4) ? C6 N1 Cu 110.5(4) ? N1 C2 C3 112.4(6) ? N1 C2 H2A 109.1 ? C3 C2 H2A 109.1 ? N1 C2 H2B 109.1 ? C3 C2 H2B 109.1 ? H2A C2 H2B 107.9 ? C2 C3 C4 109.6(6) ? C2 C3 H3A 109.7 ? C4 C3 H3A 109.7 ? C2 C3 H3B 109.7 ? C4 C3 H3B 109.7 ? H3A C3 H3B 108.2 ? C5 C4 C3 110.1(6) ? C5 C4 H4A 109.6 ? C3 C4 H4A 109.6 ? C5 C4 H4B 109.6 ? C3 C4 H4B 109.6 ? H4A C4 H4B 108.2 ? C6 C5 C4 110.4(7) ? C6 C5 H5A 109.6 ? C4 C5 H5A 109.6 ? C6 C5 H5B 109.6 ? C4 C5 H5B 109.6 ? H5A C5 H5B 108.1 ? C5 C6 N1 110.0(6) ? C5 C6 C7 115.2(7) ? N1 C6 C7 109.5(6) ? C5 C6 H6 107.3 ? N1 C6 H6 107.3 ? C7 C6 H6 107.3 ? C17 C7 C6 110.7(6) ? C17 C7 C16 108.9(7) ? C6 C7 C16 116.1(6) ? C17 C7 H7 106.9 ? C6 C7 H7 106.9 ? C16 C7 H7 106.9 ? C17 C8 C15 110.1(6) ? C17 C8 C14 108.7(6) ? C15 C8 C14 113.9(7) ? C17 C8 H8 108.0 ? C15 C8 H8 108.0 ? C14 C8 H8 108.0 ? C16 N9 C10 107.9(5) ? C16 N9 C14 111.8(6) ? C10 N9 C14 108.4(6) ? C16 N9 Cu 108.8(4) ? C10 N9 Cu 111.0(4) ? C14 N9 Cu 108.8(5) ? N9 C10 C11 111.6(6) ? N9 C10 H10A 109.3 ? C11 C10 H10A 109.3 ? N9 C10 H10B 109.3 ? C11 C10 H10B 109.3 ? H10A C10 H10B 108.0 ? C12 C11 C10 112.8(7) ? C12 C11 H11A 109.0 ? C10 C11 H11A 109.0 ? C12 C11 H11B 109.0 ? C10 C11 H11B 109.0 ? H11A C11 H11B 107.8 ? C11 C12 C13 108.1(6) ? C11 C12 H12A 110.1 ? C13 C12 H12A 110.1 ? C11 C12 H12B 110.1 ? C13 C12 H12B 110.1 ? H12A C12 H12B 108.4 ? C14 C13 C12 111.3(7) ? C14 C13 H13A 109.4 ? C12 C13 H13A 109.4 ? C14 C13 H13B 109.4 ? C12 C13 H13B 109.4 ? H13A C13 H13B 108.0 ? N9 C14 C13 109.5(6) ? N9 C14 C8 111.0(6) ? C13 C14 C8 115.0(7) ? N9 C14 H14 107.0 ? C13 C14 H14 107.0 ? C8 C14 H14 107.0 ? N1 C15 C8 113.3(6) ? N1 C15 H15A 108.9 ? C8 C15 H15A 108.9 ? N1 C15 H15B 108.9 ? C8 C15 H15B 108.9 ? H15A C15 H15B 107.7 ? N9 C16 C7 112.2(5) ? N9 C16 H16A 109.2 ? C7 C16 H16A 109.2 ? N9 C16 H16B 109.2 ? C7 C16 H16B 109.2 ? H16A C16 H16B 107.9 ? C8 C17 C7 106.1(6) ? C8 C17 H17A 110.5 ? C7 C17 H17A 110.5 ? C8 C17 H17B 110.5 ? C7 C17 H17B 110.5 ? H17A C17 H17B 108.7 ? N19 N18 Cu 118.1(5) yes N20 N19 N18 175.7(8) yes N22 N21 Cu 122.5(5) yes N23 N22 N21 177.0(7) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cu N21 . 1.931(5) yes Cu N18 . 1.958(6) yes Cu N1 . 2.039(5) yes Cu N9 . 2.050(5) yes N1 C15 . 1.482(8) ? N1 C2 . 1.502(7) ? N1 C6 . 1.510(7) ? C2 C3 . 1.514(8) ? C2 H2A . 0.9700 ? C2 H2B . 0.9700 ? C3 C4 . 1.543(9) ? C3 H3A . 0.9700 ? C3 H3B . 0.9700 ? C4 C5 . 1.514(9) ? C4 H4A . 0.9700 ? C4 H4B . 0.9700 ? C5 C6 . 1.502(9) ? C5 H5A . 0.9700 ? C5 H5B . 0.9700 ? C6 C7 . 1.527(9) ? C6 H6 . 0.9800 ? C7 C17 . 1.513(9) ? C7 C16 . 1.527(9) ? C7 H7 . 0.9800 ? C8 C17 . 1.508(8) ? C8 C15 . 1.526(9) ? C8 C14 . 1.533(9) ? C8 H8 . 0.9800 ? N9 C16 . 1.460(8) ? N9 C10 . 1.494(7) ? N9 C14 . 1.516(8) ? C10 C11 . 1.530(10) ? C10 H10A . 0.9700 ? C10 H10B . 0.9700 ? C11 C12 . 1.520(10) ? C11 H11A . 0.9700 ? C11 H11B . 0.9700 ? C12 C13 . 1.529(9) ? C12 H12A . 0.9700 ? C12 H12B . 0.9700 ? C13 C14 . 1.517(10) ? C13 H13A . 0.9700 ? C13 H13B . 0.9700 ? C14 H14 . 0.9800 ? C15 H15A . 0.9700 ? C15 H15B . 0.9700 ? C16 H16A . 0.9700 ? C16 H16B . 0.9700 ? C17 H17A . 0.9700 ? C17 H17B . 0.9700 ? N18 N19 . 1.200(7) yes N19 N20 . 1.161(8) yes N21 N22 . 1.186(8) yes N22 N23 . 1.164(8) yes 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 N21 Cu N1 C15 -161.8(5) N18 Cu N1 C15 80.5(5) N9 Cu N1 C15 -61.0(4) N21 Cu N1 C2 80.2(6) N18 Cu N1 C2 -37.4(5) N9 Cu N1 C2 -178.9(5) N21 Cu N1 C6 -40.1(6) N18 Cu N1 C6 -157.7(4) N9 Cu N1 C6 60.8(4) C15 N1 C2 C3 179.0(6) C6 N1 C2 C3 58.7(7) Cu N1 C2 C3 -62.6(6) N1 C2 C3 C4 -55.9(8) C2 C3 C4 C5 54.5(9) C3 C4 C5 C6 -57.9(8) C4 C5 C6 N1 61.2(8) C4 C5 C6 C7 -174.5(6) C15 N1 C6 C5 -178.8(6) C2 N1 C6 C5 -60.3(7) Cu N1 C6 C5 60.9(6) C15 N1 C6 C7 53.6(7) C2 N1 C6 C7 172.1(5) Cu N1 C6 C7 -66.7(6) C5 C6 C7 C17 174.2(6) N1 C6 C7 C17 -61.2(7) C5 C6 C7 C16 -61.0(9) N1 C6 C7 C16 63.6(8) N21 Cu N9 C16 85.9(5) N18 Cu N9 C16 -159.2(4) N1 Cu N9 C16 -60.6(4) N21 Cu N9 C10 -32.7(5) N18 Cu N9 C10 82.2(6) N1 Cu N9 C10 -179.2(5) N21 Cu N9 C14 -152.0(5) N18 Cu N9 C14 -37.1(6) N1 Cu N9 C14 61.6(4) C16 N9 C10 C11 179.2(6) C14 N9 C10 C11 57.9(8) Cu N9 C10 C11 -61.6(7) N9 C10 C11 C12 -55.6(9) C10 C11 C12 C13 52.9(10) C11 C12 C13 C14 -56.7(10) C16 N9 C14 C13 179.8(6) C10 N9 C14 C13 -61.4(8) Cu N9 C14 C13 59.5(7) C16 N9 C14 C8 51.8(9) C10 N9 C14 C8 170.7(7) Cu N9 C14 C8 -68.4(7) C12 C13 C14 N9 62.3(9) C12 C13 C14 C8 -172.0(7) C17 C8 C14 N9 -58.9(9) C15 C8 C14 N9 64.2(9) C17 C8 C14 C13 176.2(6) C15 C8 C14 C13 -60.7(9) C2 N1 C15 C8 -171.6(6) C6 N1 C15 C8 -52.6(8) Cu N1 C15 C8 68.9(7) C17 C8 C15 N1 57.0(8) C14 C8 C15 N1 -65.4(8) C10 N9 C16 C7 -171.2(6) C14 N9 C16 C7 -52.0(8) Cu N9 C16 C7 68.3(7) C17 C7 C16 N9 59.3(8) C6 C7 C16 N9 -66.3(9) C15 C8 C17 C7 -60.4(8) C14 C8 C17 C7 65.0(8) C6 C7 C17 C8 64.1(8) C16 C7 C17 C8 -64.7(7) N21 Cu N18 N19 51.6(6) N1 Cu N18 N19 -158.5(6) N9 Cu N18 N19 -62.3(7) N18 Cu N21 N22 8.1(9) N1 Cu N21 N22 -108.6(8) N9 Cu N21 N22 152.9(8) loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 168307771