#------------------------------------------------------------------------------ #$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $ #$Revision: 25271 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2011732.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_2011732 loop_ _publ_author_name 'Choi, Ki-Young' 'Sung, Nack-Do' 'Yun, Ki-Seob' 'Park, Young-Soo' 'Kim, Jin-Gyu' 'Suh, Il-Hwan' _publ_section_title ; Bis[3,6-bis(6-methyl-2-pyridyl)pyridazine-\k^2^N^2^,N^3^]chlorocopper(II) perchlorate ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 47 _journal_page_last 48 _journal_volume 57 _journal_year 2001 _chemical_formula_iupac '[Cu (C16 H14 N4)2 Cl] , Cl O4' _chemical_formula_moiety 'C32 H28 Cl Cu N8 + , Cl O4 -' _chemical_formula_sum 'C32 H28 Cl2 Cu N8 O4' _chemical_formula_weight 723.06 _chemical_name_systematic ; Bis-[3,6-bis(6-methyl-2-pyridyl)pyridazine-\k^2^N^2^,N^3^]chlorocopper(II) perchlorate ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _audit_creation_method SHELXL97 _cell_angle_alpha 92.439(8) _cell_angle_beta 96.573(14) _cell_angle_gamma 104.249(11) _cell_formula_units_Z 2 _cell_length_a 7.3928(18) _cell_length_b 14.1176(11) _cell_length_c 15.7262(16) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 14.29 _cell_measurement_theta_min 11.43 _cell_volume 1576.1(4) _computing_cell_refinement 'CAD-4 EXPRESS' _computing_data_collection 'CAD-4 EXPRESS (Enraf Nonius, 1994)' _computing_data_reduction 'XCAD-4 (Harms & Wocadlo, 1995)' _computing_molecular_graphics 'ORTEP3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX (Farrugia, 1999)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full .998 _diffrn_measured_fraction_theta_max .998 _diffrn_measurement_device_type 'Enraf Nonius CAD4' _diffrn_measurement_method 'non-profiled \w/2\q scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength .71073 _diffrn_reflns_av_R_equivalents .041 _diffrn_reflns_av_sigmaI/netI .072 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 6050 _diffrn_reflns_theta_full 25.47 _diffrn_reflns_theta_max 25.47 _diffrn_reflns_theta_min 2.05 _diffrn_standards_decay_% 8 _diffrn_standards_interval_time 300 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu .915 _exptl_absorpt_correction_T_max .987 _exptl_absorpt_correction_T_min .666 _exptl_absorpt_correction_type \y-scan _exptl_absorpt_process_details '(North et al., 1968)' _exptl_crystal_colour green _exptl_crystal_density_diffrn 1.524 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 742 _exptl_crystal_size_max .53 _exptl_crystal_size_mid .25 _exptl_crystal_size_min .01 _refine_diff_density_max .58 _refine_diff_density_min -.38 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.019 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 424 _refine_ls_number_reflns 5821 _refine_ls_number_restraints 11 _refine_ls_restrained_S_all 1.028 _refine_ls_R_factor_all .107 _refine_ls_R_factor_gt .060 _refine_ls_shift/su_max <0.001 _refine_ls_shift/su_mean .000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_scheme 'calc w = 1/[\s^2^(Fo^2^)+(0.0632P)^2^+1.2920P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_wR_factor_ref .153 _reflns_number_gt 3839 _reflns_number_total 5821 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file oa1109.cif _[local]_cod_data_source_block I _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_values 1715 2011-07-08 13:25:40Z adriana ; _cod_database_code 2011732 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_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Cu -.01526(9) .91042(4) .27180(4) .0395(2) Uani d . 1 . . Cu Cl1 .2838(2) .90723(11) .32656(9) .0629(4) Uani d . 1 . . Cl N1 -.5880(6) .6905(3) .5378(3) .0506(11) Uani d . 1 . . N N2 -.3221(6) .8009(3) .3762(2) .0409(9) Uani d . 1 . . N N3 -.2151(5) .8878(3) .3604(2) .0367(9) Uani d . 1 . . N N4 .0241(6) 1.0495(3) .3231(2) .0399(9) Uani d . 1 . . N N5 -.0771(5) .7750(3) .2113(2) .0382(9) Uani d . 1 . . N N6 -.1245(5) .9401(3) .1529(2) .0385(9) Uani d . 1 . . N N7 -.1575(6) 1.0272(3) .1356(2) .0415(10) Uani d . 1 . . N N8 -.3086(5) 1.1505(3) -.0428(2) .0418(10) Uani d . 1 . . N C1 -.7454(9) .5994(5) .6468(4) .081(2) Uani d . 1 . . C HC1A -.8193 .5347 .6538 .121 Uiso calc R 1 . . H HC1B -.8174 .6461 .6561 .121 Uiso calc R 1 . . H HC1C -.6334 .6145 .6875 .121 Uiso calc R 1 . . H C2 -.6922(7) .6040(4) .5572(4) .0554(14) Uani d . 1 . . C C3 -.7405(9) .5222(5) .4987(4) .0682(17) Uani d . 1 . . C HC3 -.8122 .4628 .5134 .082 Uiso calc R 1 . . H C4 -.6816(8) .5302(4) .4199(4) .0649(16) Uani d . 1 . . C HC4 -.7152 .4764 .3799 .078 Uiso calc R 1 . . H C5 -.5720(7) .6182(4) .3991(3) .0510(13) Uani d . 1 . . C HC5 -.5290 .6247 .3458 .061 Uiso calc R 1 . . H C6 -.5287(7) .6958(4) .4599(3) .0446(12) Uani d . 1 . . C C7 -.4147(7) .7943(3) .4451(3) .0392(11) Uani d . 1 . . C C8 -.4004(7) .8763(4) .5011(3) .0453(12) Uani d . 1 . . C HC8 -.4620 .8703 .5497 .054 Uiso calc R 1 . . H C9 -.2963(7) .9638(4) .4837(3) .0428(12) Uani d . 1 . . C HC9 -.2861 1.0196 .5193 .051 Uiso calc R 1 . . H C10 -.2036(6) .9688(3) .4106(3) .0376(11) Uani d . 1 . . C C11 -.0826(7) 1.0597(3) .3853(3) .0409(11) Uani d . 1 . . C C12 -.0760(8) 1.1501(4) .4248(4) .0568(15) Uani d . 1 . . C HC12 -.1506 1.1558 .4676 .068 Uiso calc R 1 . . H C13 .0438(9) 1.2314(4) .3990(4) .0712(18) Uani d . 1 . . C HC13 .0498 1.2932 .4240 .085 Uiso calc R 1 . . H C14 .1542(9) 1.2219(4) .3368(4) .0633(16) Uani d . 1 . . C HC14 .2356 1.2769 .3195 .076 Uiso calc R 1 . . H C15 .1440(8) 1.1293(4) .2997(3) .0504(13) Uani d . 1 . . C C16 .2691(9) 1.1184(4) .2339(4) .0723(18) Uani d . 1 . . C H16A .2459 1.0504 .2149 .108 Uiso calc R 1 . . H H16B .3982 1.1426 .2586 .108 Uiso calc R 1 . . H H16C .2438 1.1551 .1860 .108 Uiso calc R 1 . . H C17 -.0121(9) .6899(4) .3402(3) .0664(17) Uani d . 1 . . C H17A -.0036 .7533 .3674 .100 Uiso calc R 1 . . H H17B .1063 .6735 .3525 .100 Uiso calc R 1 . . H H17C -.1088 .6419 .3617 .100 Uiso calc R 1 . . H C18 -.0590(7) .6915(4) .2452(3) .0445(12) Uani d . 1 . . C C19 -.0801(8) .6068(4) .1920(4) .0566(15) Uani d . 1 . . C HC19 -.0660 .5496 .2160 .068 Uiso calc R 1 . . H C20 -.1211(8) .6070(4) .1055(4) .0591(15) Uani d . 1 . . C HC20 -.1322 .5508 .0702 .071 Uiso calc R 1 . . H C21 -.1459(7) .6918(4) .0707(3) .0510(13) Uani d . 1 . . C HC21 -.1766 .6934 .0118 .061 Uiso calc R 1 . . H C22 -.1241(6) .7738(3) .1250(3) .0373(11) Uani d . 1 . . C C23 -.1580(6) .8657(3) .0930(3) .0335(10) Uani d . 1 . . C C24 -.2265(7) .8769(3) .0084(3) .0403(11) Uani d . 1 . . C HC24 -.2484 .8259 -.0339 .048 Uiso calc R 1 . . H C25 -.2600(6) .9646(3) -.0102(3) .0417(11) Uani d . 1 . . C HC25 -.3057 .9749 -.0657 .050 Uiso calc R 1 . . H C26 -.2243(6) 1.0397(3) .0559(3) .0376(11) Uani d . 1 . . C C27 -.2599(6) 1.1370(3) .0401(3) .0397(11) Uani d . 1 . . C C28 -.2464(8) 1.2068(4) .1057(4) .0598(15) Uani d . 1 . . C HC28 -.2123 1.1949 .1622 .072 Uiso calc R 1 . . H C29 -.2845(9) 1.2949(4) .0861(4) .0699(17) Uani d . 1 . . C HC29 -.2753 1.3437 .1292 .084 Uiso calc R 1 . . H C30 -.3361(8) 1.3091(4) .0019(4) .0601(15) Uani d . 1 . . C HC30 -.3649 1.3674 -.0125 .072 Uiso calc R 1 . . H C31 -.3455(7) 1.2361(4) -.0619(3) .0465(13) Uani d . 1 . . C C32 -.3994(8) 1.2492(4) -.1552(3) .0579(15) Uani d . 1 . . C H32A -.4225 1.3128 -.1608 .087 Uiso calc R 1 . . H H32B -.5113 1.1997 -.1773 .087 Uiso calc R 1 . . H H32C -.2989 1.2434 -.1871 .087 Uiso calc R 1 . . H Cl2 .2736(3) .42687(12) .16774(10) .0739(5) Uani d D 1 . . Cl O1 .332(3) .3423(9) .1464(6) .078(4) Uiso d PDU .54(3) A 1 O O1' .239(3) .3212(8) .1428(6) .065(5) Uiso d PDU .46(3) A 2 O O2 .1330(9) .4159(4) .2270(4) .126(2) Uani d D 1 . . O O3 .4353(10) .4847(6) .2123(5) .178(3) Uani d D 1 . . O O4 .2007(10) .4683(4) .0971(3) .122(2) Uani d D 1 . . O 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 .0486(4) .0422(4) .0309(3) .0176(3) .0045(3) .0043(2) Cl1 .0584(9) .0857(11) .0490(8) .0379(8) -.0097(7) -.0177(7) N1 .050(3) .061(3) .046(3) .018(2) .011(2) .012(2) N2 .047(2) .041(2) .036(2) .013(2) .0082(19) .0026(18) N3 .042(2) .040(2) .032(2) .0169(19) .0065(17) .0003(17) N4 .048(2) .041(2) .030(2) .0121(19) -.0022(18) .0050(17) N5 .039(2) .039(2) .041(2) .0161(18) .0104(18) .0073(18) N6 .046(2) .037(2) .033(2) .0115(18) .0050(18) .0040(17) N7 .053(3) .037(2) .035(2) .0152(19) .0010(19) .0044(18) N8 .040(2) .049(2) .040(2) .0151(19) .0085(18) .0145(19) C1 .081(5) .097(5) .071(4) .022(4) .030(4) .039(4) C2 .046(3) .065(4) .060(4) .018(3) .011(3) .022(3) C3 .062(4) .057(4) .084(5) .008(3) .013(3) .020(3) C4 .067(4) .051(4) .073(4) .009(3) .004(3) .003(3) C5 .054(3) .048(3) .052(3) .014(3) .005(3) .006(3) C6 .043(3) .053(3) .042(3) .019(2) .005(2) .009(2) C7 .041(3) .041(3) .038(3) .018(2) -.001(2) .004(2) C8 .046(3) .060(3) .033(3) .020(3) .007(2) -.004(2) C9 .046(3) .052(3) .033(3) .021(3) .001(2) -.008(2) C10 .033(3) .043(3) .039(3) .018(2) -.002(2) .000(2) C11 .043(3) .042(3) .039(3) .017(2) -.004(2) .000(2) C12 .056(4) .043(3) .073(4) .019(3) .003(3) -.008(3) C13 .083(5) .042(3) .086(5) .019(3) -.005(4) -.007(3) C14 .076(4) .043(3) .062(4) .001(3) -.003(3) .018(3) C15 .055(3) .052(3) .040(3) .008(3) -.002(2) .012(2) C16 .083(5) .066(4) .058(4) -.003(3) .014(3) .011(3) C17 .094(5) .068(4) .053(3) .043(4) .018(3) .021(3) C18 .045(3) .044(3) .053(3) .021(2) .016(2) .014(2) C19 .068(4) .041(3) .067(4) .019(3) .019(3) .018(3) C20 .072(4) .042(3) .064(4) .015(3) .013(3) -.004(3) C21 .061(4) .041(3) .050(3) .010(3) .009(3) .002(2) C22 .032(3) .039(3) .041(3) .008(2) .008(2) .005(2) C23 .029(2) .040(3) .031(2) .006(2) .0065(19) .001(2) C24 .045(3) .043(3) .032(2) .010(2) .004(2) -.001(2) C25 .039(3) .052(3) .033(3) .012(2) .001(2) .005(2) C26 .035(3) .042(3) .038(3) .010(2) .009(2) .009(2) C27 .037(3) .046(3) .038(3) .012(2) .006(2) .009(2) C28 .079(4) .056(3) .046(3) .025(3) -.006(3) .003(3) C29 .097(5) .054(4) .058(4) .026(3) -.007(3) -.005(3) C30 .070(4) .044(3) .070(4) .022(3) .004(3) .014(3) C31 .037(3) .053(3) .053(3) .014(2) .011(2) .020(3) C32 .064(4) .069(4) .053(3) .031(3) .020(3) .029(3) Cl2 .1064(14) .0671(10) .0546(9) .0401(10) -.0028(9) .0029(8) O2 .168(6) .141(5) .101(4) .078(4) .056(4) .024(4) O3 .134(6) .212(8) .155(6) .021(5) -.044(5) -.045(6) O4 .211(7) .095(4) .073(3) .070(4) -.002(4) .020(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu .3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O .0106 .0060 '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 N5 Cu N4 173.63(15) y N5 Cu N6 80.37(15) y N4 Cu N6 93.88(14) y N5 Cu N3 100.18(15) y N4 Cu N3 79.46(15) y N6 Cu N3 112.91(15) y N5 Cu Cl1 94.40(11) y N4 Cu Cl1 91.47(12) y N6 Cu Cl1 131.55(12) y N3 Cu Cl1 115.41(11) y C2 N1 C6 117.8(5) ? N3 N2 C7 119.2(4) ? N2 N3 C10 121.2(4) ? N2 N3 Cu 125.4(3) ? C10 N3 Cu 112.6(3) ? C15 N4 C11 119.2(4) ? C15 N4 Cu 125.6(3) ? C11 N4 Cu 115.2(3) ? C18 N5 C22 118.6(4) ? C18 N5 Cu 127.5(3) ? C22 N5 Cu 113.6(3) ? C23 N6 N7 122.3(4) ? C23 N6 Cu 114.4(3) ? N7 N6 Cu 123.3(3) ? C26 N7 N6 118.6(4) ? C31 N8 C27 118.3(4) ? N1 C2 C3 121.6(5) ? N1 C2 C1 116.2(5) ? C3 C2 C1 122.1(5) ? C4 C3 C2 119.3(6) ? C3 C4 C5 120.0(6) ? C6 C5 C4 117.6(5) ? N1 C6 C5 123.6(5) ? N1 C6 C7 113.5(4) ? C5 C6 C7 122.9(5) ? N2 C7 C8 121.4(4) ? N2 C7 C6 116.7(4) ? C8 C7 C6 121.9(4) ? C9 C8 C7 119.0(5) ? C8 C9 C10 118.4(4) ? N3 C10 C9 120.7(4) ? N3 C10 C11 115.6(4) ? C9 C10 C11 123.7(4) ? N4 C11 C12 122.2(5) ? N4 C11 C10 116.3(4) ? C12 C11 C10 121.6(5) ? C13 C12 C11 118.1(6) ? C14 C13 C12 120.3(6) ? C13 C14 C15 119.4(5) ? N4 C15 C14 120.8(5) ? N4 C15 C16 119.7(5) ? C14 C15 C16 119.5(5) ? N5 C18 C19 120.3(5) ? N5 C18 C17 119.9(4) ? C19 C18 C17 119.9(4) ? C20 C19 C18 120.7(5) ? C19 C20 C21 119.2(5) ? C22 C21 C20 118.5(5) ? N5 C22 C21 122.7(4) ? N5 C22 C23 115.7(4) ? C21 C22 C23 121.6(4) ? N6 C23 C24 120.4(4) ? N6 C23 C22 114.7(4) ? C24 C23 C22 124.9(4) ? C25 C24 C23 118.0(4) ? C24 C25 C26 118.9(4) ? N7 C26 C25 121.8(4) ? N7 C26 C27 116.6(4) ? C25 C26 C27 121.6(4) ? N8 C27 C28 123.0(4) ? N8 C27 C26 114.9(4) ? C28 C27 C26 122.0(4) ? C27 C28 C29 118.8(5) ? C30 C29 C28 118.7(5) ? C29 C30 C31 119.9(5) ? N8 C31 C30 121.3(5) ? N8 C31 C32 117.1(5) ? C30 C31 C32 121.6(5) ? O3 Cl2 O4 114.6(5) ? O3 Cl2 O1 101.2(9) ? O4 Cl2 O1 113.8(5) ? O3 Cl2 O2 105.5(4) ? O4 Cl2 O2 105.5(4) ? O1 Cl2 O2 116.2(7) ? O3 Cl2 O1' 125.5(8) ? O4 Cl2 O1' 106.3(5) ? O1 Cl2 O1' 26.7(5) ? O2 Cl2 O1' 96.0(7) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Cu N5 2.021(4) y Cu N4 2.030(4) y Cu N6 2.052(4) y Cu N3 2.122(4) y Cu Cl1 2.2912(16) y N1 C2 1.342(7) ? N1 C6 1.348(6) ? N2 N3 1.337(5) ? N2 C7 1.341(6) ? N3 C10 1.341(5) ? N4 C15 1.345(6) ? N4 C11 1.350(6) ? N5 C18 1.344(6) ? N5 C22 1.361(6) ? N6 C23 1.336(5) ? N6 N7 1.344(5) ? N7 C26 1.328(6) ? N8 C31 1.341(6) ? N8 C27 1.346(6) ? C1 C2 1.505(8) ? C2 C3 1.392(8) ? C3 C4 1.361(8) ? C4 C5 1.381(7) ? C5 C6 1.373(7) ? C6 C7 1.482(7) ? C7 C8 1.399(6) ? C8 C9 1.342(7) ? C9 C10 1.400(6) ? C10 C11 1.472(7) ? C11 C12 1.383(7) ? C12 C13 1.374(8) ? C13 C14 1.366(8) ? C14 C15 1.388(7) ? C15 C16 1.492(8) ? C17 C18 1.497(7) ? C18 C19 1.395(7) ? C19 C20 1.360(7) ? C20 C21 1.381(7) ? C21 C22 1.374(6) ? C22 C23 1.478(6) ? C23 C24 1.398(6) ? C24 C25 1.358(6) ? C25 C26 1.407(6) ? C26 C27 1.488(6) ? C27 C28 1.373(7) ? C28 C29 1.381(7) ? C29 C30 1.373(8) ? C30 C31 1.390(7) ? C31 C32 1.508(7) ? Cl2 O3 1.366(6) ? Cl2 O4 1.393(5) ? Cl2 O1 1.405(8) ? Cl2 O2 1.459(5) ? Cl2 O1' 1.478(9) ? 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 C7 N2 N3 C10 -2.2(6) C7 N2 N3 Cu 166.9(3) N5 Cu N3 N2 9.9(4) N4 Cu N3 N2 -176.6(4) N6 Cu N3 N2 93.6(3) Cl1 Cu N3 N2 -90.0(3) N5 Cu N3 C10 179.7(3) N4 Cu N3 C10 -6.7(3) N6 Cu N3 C10 -96.5(3) Cl1 Cu N3 C10 79.9(3) N5 Cu N4 C15 -90.6(15) N6 Cu N4 C15 -65.3(4) N3 Cu N4 C15 -177.9(4) Cl1 Cu N4 C15 66.5(4) N5 Cu N4 C11 89.0(15) N6 Cu N4 C11 114.2(3) N3 Cu N4 C11 1.6(3) Cl1 Cu N4 C11 -113.9(3) N4 Cu N5 C18 -150.7(13) N6 Cu N5 C18 -176.4(4) N3 Cu N5 C18 -64.6(4) Cl1 Cu N5 C18 52.2(4) N4 Cu N5 C22 36.2(16) N6 Cu N5 C22 10.6(3) N3 Cu N5 C22 122.4(3) Cl1 Cu N5 C22 -120.8(3) N5 Cu N6 C23 -8.2(3) N4 Cu N6 C23 174.5(3) N3 Cu N6 C23 -105.3(3) Cl1 Cu N6 C23 79.1(3) N5 Cu N6 N7 172.8(4) N4 Cu N6 N7 -4.5(4) N3 Cu N6 N7 75.7(4) Cl1 Cu N6 N7 -99.9(3) C23 N6 N7 C26 -.6(6) Cu N6 N7 C26 178.4(3) C6 N1 C2 C3 -.9(8) C6 N1 C2 C1 176.3(5) N1 C2 C3 C4 -.3(9) C1 C2 C3 C4 -177.3(6) C2 C3 C4 C5 1.3(9) C3 C4 C5 C6 -.9(8) C2 N1 C6 C5 1.2(7) C2 N1 C6 C7 -179.9(4) C4 C5 C6 N1 -.3(8) C4 C5 C6 C7 -179.1(5) N3 N2 C7 C8 -.5(7) N3 N2 C7 C6 -179.1(4) N1 C6 C7 N2 167.9(4) C5 C6 C7 N2 -13.2(7) N1 C6 C7 C8 -10.6(7) C5 C6 C7 C8 168.3(5) N2 C7 C8 C9 2.2(7) C6 C7 C8 C9 -179.4(4) C7 C8 C9 C10 -1.1(7) N2 N3 C10 C9 3.3(6) Cu N3 C10 C9 -167.1(3) N2 N3 C10 C11 -179.3(4) Cu N3 C10 C11 10.4(5) C8 C9 C10 N3 -1.6(7) C8 C9 C10 C11 -178.8(4) C15 N4 C11 C12 1.5(7) Cu N4 C11 C12 -178.1(4) C15 N4 C11 C10 -177.1(4) Cu N4 C11 C10 3.3(5) N3 C10 C11 N4 -9.4(6) C9 C10 C11 N4 167.9(4) N3 C10 C11 C12 172.0(4) C9 C10 C11 C12 -10.6(7) N4 C11 C12 C13 .0(8) C10 C11 C12 C13 178.5(5) C11 C12 C13 C14 -.8(9) C12 C13 C14 C15 .2(9) C11 N4 C15 C14 -2.1(7) Cu N4 C15 C14 177.4(4) C11 N4 C15 C16 177.1(5) Cu N4 C15 C16 -3.3(7) C13 C14 C15 N4 1.3(8) C13 C14 C15 C16 -177.9(5) C22 N5 C18 C19 2.7(7) Cu N5 C18 C19 -170.0(4) C22 N5 C18 C17 -178.5(4) Cu N5 C18 C17 8.8(7) N5 C18 C19 C20 -.6(8) C17 C18 C19 C20 -179.4(5) C18 C19 C20 C21 -1.5(9) C19 C20 C21 C22 1.4(8) C18 N5 C22 C21 -2.8(7) Cu N5 C22 C21 170.9(4) C18 N5 C22 C23 174.8(4) Cu N5 C22 C23 -11.5(5) C20 C21 C22 N5 .7(8) C20 C21 C22 C23 -176.8(5) N7 N6 C23 C24 1.2(7) Cu N6 C23 C24 -177.8(3) N7 N6 C23 C22 -176.5(4) Cu N6 C23 C22 4.5(5) N5 C22 C23 N6 4.6(6) C21 C22 C23 N6 -177.7(4) N5 C22 C23 C24 -173.0(4) C21 C22 C23 C24 4.7(7) N6 C23 C24 C25 -.9(7) C22 C23 C24 C25 176.5(4) C23 C24 C25 C26 .1(7) N6 N7 C26 C25 -.3(7) N6 N7 C26 C27 179.5(4) C24 C25 C26 N7 .6(7) C24 C25 C26 C27 -179.3(4) C31 N8 C27 C28 .0(7) C31 N8 C27 C26 179.1(4) N7 C26 C27 N8 173.4(4) C25 C26 C27 N8 -6.7(6) N7 C26 C27 C28 -7.5(7) C25 C26 C27 C28 172.4(5) N8 C27 C28 C29 .0(9) C26 C27 C28 C29 -179.0(5) C27 C28 C29 C30 .6(9) C28 C29 C30 C31 -1.3(9) C27 N8 C31 C30 -.7(7) C27 N8 C31 C32 179.9(4) C29 C30 C31 N8 1.4(9) C29 C30 C31 C32 -179.3(5)