#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:31:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179505 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/02/4340263.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_4340263
loop_
_publ_author_name
'Hu, Tong-Liang'
'Li, Jian-Rong'
'Liu, Chun-Sen'
'Shi, Xue-Song'
'Zhou, Jiang-Ning'
'Bu, Xian-He'
'Ribas, Joan'
_publ_section_title
;
 Syntheses, crystal structures, and magneto-structural correlations of
 novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 =
 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to
 one-dimensional compounds.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              162
_journal_page_last               173
_journal_paper_doi               10.1021/ic051488d
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C64 H48 Cu4 N24 O0'
_chemical_formula_weight         1407.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.291(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.884(3)
_cell_length_b                   18.068(4)
_cell_length_c                   12.618(3)
_cell_measurement_reflns_used    1401
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.184
_cell_measurement_theta_min      2.329
_cell_volume                     2858.6(11)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART CCD area-detecter'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0807
_diffrn_reflns_av_sigmaI/netI    0.1071
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16979
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         1.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.536
_exptl_absorpt_correction_T_max  0.8870
_exptl_absorpt_correction_T_min  0.7695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6217
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1172
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ^2^(Fo^2^)+(0.0431P)^2] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1343
_reflns_number_gt                3791
_reflns_number_total             6217
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051488dsi20051028_113801.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2858.5(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4340263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Cu1 Cu 0.39968(5) 0.99812(3) 0.12108(5) 0.03107(18) Uani 1 1 d .
Cu2 Cu 0.71225(5) 1.03544(3) 0.19917(5) 0.03334(18) Uani 1 1 d .
C1 C 0.9357(4) 0.9710(3) 0.2119(4) 0.0434(14) Uani 1 1 d .
H1 H 0.9611 1.0180 0.2340 0.052 Uiso 1 1 calc R
C2 C 1.0077(4) 0.9159(3) 0.2096(5) 0.0520(16) Uani 1 1 d .
H2 H 1.0805 0.9259 0.2267 0.062 Uiso 1 1 calc R
C3 C 0.9709(5) 0.8453(4) 0.1815(5) 0.0583(17) Uani 1 1 d .
H3 H 1.0183 0.8063 0.1826 0.070 Uiso 1 1 calc R
C4 C 0.8622(4) 0.8338(3) 0.1518(4) 0.0444(14) Uani 1 1 d .
H4 H 0.8357 0.7866 0.1326 0.053 Uiso 1 1 calc R
C5 C 0.7926(4) 0.8923(3) 0.1505(4) 0.0333(12) Uani 1 1 d .
C6 C 0.6786(4) 0.8876(2) 0.1193(4) 0.0287(11) Uani 1 1 d .
C7 C 0.6087(4) 0.8300(3) 0.0841(4) 0.0407(13) Uani 1 1 d .
H7 H 0.6252 0.7810 0.0722 0.049 Uiso 1 1 calc R
C8 C 0.5097(4) 0.8611(3) 0.0706(4) 0.0369(12) Uani 1 1 d .
H8 H 0.4458 0.8357 0.0464 0.044 Uiso 1 1 calc R
C9 C 0.6637(5) 0.9092(3) 0.3945(5) 0.0539(16) Uani 1 1 d .
H9 H 0.6108 0.8886 0.3396 0.065 Uiso 1 1 calc R
C10 C 0.6825(6) 0.8778(3) 0.4965(6) 0.070(2) Uani 1 1 d .
H10 H 0.6421 0.8380 0.5111 0.084 Uiso 1 1 calc R
C11 C 0.7634(6) 0.9075(4) 0.5761(6) 0.075(2) Uani 1 1 d .
H11 H 0.7794 0.8874 0.6458 0.089 Uiso 1 1 calc R
C12 C 0.8197(5) 0.9666(4) 0.5520(5) 0.0611(17) Uani 1 1 d .
H12 H 0.8747 0.9868 0.6050 0.073 Uiso 1 1 calc R
C13 C 0.7943(4) 0.9963(3) 0.4479(4) 0.0391(13) Uani 1 1 d .
C14 C 0.8500(4) 1.0603(3) 0.4168(4) 0.0369(12) Uani 1 1 d .
C15 C 0.9358(4) 1.0999(3) 0.4749(4) 0.0498(15) Uani 1 1 d .
H15 H 0.9731 1.0928 0.5465 0.060 Uiso 1 1 calc R
C16 C 0.9530(4) 1.1517(3) 0.4027(5) 0.0510(15) Uani 1 1 d .
H16 H 1.0076 1.1865 0.4184 0.061 Uiso 1 1 calc R
C17 C 0.1736(4) 1.0638(3) 0.0959(4) 0.0457(14) Uani 1 1 d .
H17 H 0.1482 1.0175 0.0700 0.055 Uiso 1 1 calc R
C18 C 0.1011(4) 1.1186(3) 0.1033(4) 0.0521(15) Uani 1 1 d .
H18 H 0.0283 1.1088 0.0846 0.063 Uiso 1 1 calc R
C19 C 0.1373(4) 1.1875(3) 0.1385(5) 0.0512(15) Uani 1 1 d .
H19 H 0.0900 1.2257 0.1425 0.061 Uiso 1 1 calc R
C20 C 0.2453(4) 1.1986(3) 0.1676(4) 0.0440(14) Uani 1 1 d .
H20 H 0.2717 1.2451 0.1917 0.053 Uiso 1 1 calc R
C21 C 0.3154(4) 1.1419(3) 0.1618(4) 0.0332(12) Uani 1 1 d .
C22 C 0.4306(4) 1.1461(3) 0.1925(4) 0.0332(12) Uani 1 1 d .
C23 C 0.5015(4) 1.2020(3) 0.2351(4) 0.0446(14) Uani 1 1 d .
H23 H 0.4857 1.2498 0.2537 0.053 Uiso 1 1 calc R
C24 C 0.6004(4) 1.1711(3) 0.2437(4) 0.0403(13) Uani 1 1 d .
H24 H 0.6647 1.1959 0.2683 0.048 Uiso 1 1 calc R
C25 C 0.4085(4) 0.9466(3) 0.3836(4) 0.0458(14) Uani 1 1 d .
H25 H 0.4539 0.9863 0.4066 0.055 Uiso 1 1 calc R
C26 C 0.3836(5) 0.9005(3) 0.4611(4) 0.0515(16) Uani 1 1 d .
H26 H 0.4122 0.9089 0.5348 0.062 Uiso 1 1 calc R
C27 C 0.3160(5) 0.8419(3) 0.4280(4) 0.0498(15) Uani 1 1 d .
H27 H 0.2981 0.8100 0.4787 0.060 Uiso 1 1 calc R
C28 C 0.2753(4) 0.8314(3) 0.3183(4) 0.0397(13) Uani 1 1 d .
H28 H 0.2289 0.7924 0.2942 0.048 Uiso 1 1 calc R
C29 C 0.3038(4) 0.8792(3) 0.2439(4) 0.0339(12) Uani 1 1 d .
C30 C 0.2636(4) 0.8717(3) 0.1258(4) 0.0316(12) Uani 1 1 d .
C31 C 0.2021(4) 0.8186(3) 0.0627(4) 0.0352(12) Uani 1 1 d .
H31 H 0.1712 0.7769 0.0859 0.042 Uiso 1 1 calc R
C32 C 0.1965(4) 0.8414(3) -0.0433(4) 0.0369(12) Uani 1 1 d .
H32 H 0.1590 0.8167 -0.1048 0.044 Uiso 1 1 calc R
N7 N 0.8306(3) 0.9603(2) 0.1838(3) 0.0350(10) Uani 1 1 d .
N8 N 0.6230(3) 0.9502(2) 0.1264(3) 0.0299(9) Uani 1 1 d .
N9 N 0.5174(3) 0.9335(2) 0.0971(3) 0.0305(9) Uani 1 1 d .
N10 N 0.7170(4) 0.9671(2) 0.3704(3) 0.0427(11) Uani 1 1 d .
N11 N 0.8185(3) 1.0891(2) 0.3157(3) 0.0355(10) Uani 1 1 d .
N12 N 0.8830(4) 1.1472(2) 0.3071(4) 0.0464(12) Uani 1 1 d .
N1 N 0.2788(3) 1.0745(2) 0.1245(3) 0.0360(10) Uani 1 1 d .
N2 N 0.4851(3) 1.0849(2) 0.1796(3) 0.0321(10) Uani 1 1 d .
N3 N 0.5912(3) 1.1002(2) 0.2116(3) 0.0302(9) Uani 1 1 d .
N4 N 0.3699(3) 0.9367(2) 0.2761(3) 0.0381(10) Uani 1 1 d .
N5 N 0.2948(3) 0.9223(2) 0.0607(3) 0.0303(9) Uani 1 1 d .
N6 N 0.2523(3) 0.9038(2) -0.0454(3) 0.0329(10) Uani 1 1 d .
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'
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
N5 Cu1 N2 170.77(15) . .
N5 Cu1 N9 90.71(16) . .
N2 Cu1 N9 98.29(16) . .
N5 Cu1 N1 91.10(16) . .
N2 Cu1 N1 79.69(16) . .
N9 Cu1 N1 171.14(15) . .
N5 Cu1 N4 76.30(15) . .
N2 Cu1 N4 104.41(15) . .
N9 Cu1 N4 97.16(14) . .
N1 Cu1 N4 91.69(14) . .
N3 Cu2 N11 94.20(15) . .
N3 Cu2 N8 96.33(15) . .
N11 Cu2 N8 157.35(16) . .
N3 Cu2 N7 175.34(16) . .
N11 Cu2 N7 89.55(16) . .
N8 Cu2 N7 79.20(16) . .
N3 Cu2 N6 95.45(14) . 3_675
N11 Cu2 N6 98.57(15) . 3_675
N8 Cu2 N6 100.31(14) . 3_675
N7 Cu2 N6 86.70(14) . 3_675
N3 Cu2 N10 94.99(15) . .
N11 Cu2 N10 74.12(16) . .
N8 Cu2 N10 85.02(15) . .
N7 Cu2 N10 83.37(15) . .
N6 Cu2 N10 167.67(14) 3_675 .
N7 C1 C2 122.9(5) . .
N7 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 119.0(5) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C2 C3 C4 118.5(5) . .
C2 C3 H3 120.8 . .
C4 C3 H3 120.8 . .
C3 C4 C5 120.2(5) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N7 C5 C4 120.1(5) . .
N7 C5 C6 114.5(4) . .
C4 C5 C6 125.3(5) . .
N8 C6 C7 109.6(4) . .
N8 C6 C5 117.1(4) . .
C7 C6 C5 133.2(5) . .
C8 C7 C6 104.5(4) . .
C8 C7 H7 127.7 . .
C6 C7 H7 127.7 . .
N9 C8 C7 110.8(4) . .
N9 C8 H8 124.6 . .
C7 C8 H8 124.6 . .
N10 C9 C10 123.5(6) . .
N10 C9 H9 118.3 . .
C10 C9 H9 118.3 . .
C9 C10 C11 117.5(6) . .
C9 C10 H10 121.3 . .
C11 C10 H10 121.3 . .
C12 C11 C10 119.6(6) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C13 119.5(6) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
N10 C13 C12 121.0(5) . .
N10 C13 C14 116.5(4) . .
C12 C13 C14 122.5(5) . .
N11 C14 C15 109.4(5) . .
N11 C14 C13 120.0(5) . .
C15 C14 C13 130.6(5) . .
C16 C15 C14 103.7(5) . .
C16 C15 H15 128.2 . .
C14 C15 H15 128.2 . .
N12 C16 C15 112.6(5) . .
N12 C16 H16 123.7 . .
C15 C16 H16 123.7 . .
N1 C17 C18 122.7(5) . .
N1 C17 H17 118.7 . .
C18 C17 H17 118.7 . .
C19 C18 C17 119.3(5) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
C18 C19 C20 118.1(5) . .
C18 C19 H19 120.9 . .
C20 C19 H19 120.9 . .
C19 C20 C21 120.9(5) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
N1 C21 C20 120.5(5) . .
N1 C21 C22 113.3(4) . .
C20 C21 C22 126.2(5) . .
N2 C22 C23 109.3(4) . .
N2 C22 C21 117.3(4) . .
C23 C22 C21 133.4(5) . .
C24 C23 C22 104.6(4) . .
C24 C23 H23 127.7 . .
C22 C23 H23 127.7 . .
N3 C24 C23 110.4(5) . .
N3 C24 H24 124.8 . .
C23 C24 H24 124.8 . .
N4 C25 C26 122.9(5) . .
N4 C25 H25 118.5 . .
C26 C25 H25 118.5 . .
C27 C26 C25 119.0(5) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C26 C27 C28 118.8(5) . .
C26 C27 H27 120.6 . .
C28 C27 H27 120.6 . .
C27 C28 C29 119.8(5) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
N4 C29 C28 121.6(5) . .
N4 C29 C30 115.4(4) . .
C28 C29 C30 123.0(5) . .
N5 C30 C31 109.4(4) . .
N5 C30 C29 118.1(4) . .
C31 C30 C29 132.4(4) . .
C30 C31 C32 104.3(4) . .
C30 C31 H31 127.8 . .
C32 C31 H31 127.8 . .
N6 C32 C31 111.1(4) . .
N6 C32 H32 124.4 . .
C31 C32 H32 124.4 . .
C1 N7 C5 119.2(4) . .
C1 N7 Cu2 127.0(4) . .
C5 N7 Cu2 113.6(3) . .
C6 N8 N9 108.0(4) . .
C6 N8 Cu2 114.5(3) . .
N9 N8 Cu2 136.4(3) . .
C8 N9 N8 107.1(4) . .
C8 N9 Cu1 126.3(3) . .
N8 N9 Cu1 125.4(3) . .
C9 N10 C13 118.9(5) . .
C9 N10 Cu2 133.2(4) . .
C13 N10 Cu2 107.9(3) . .
C14 N11 N12 108.5(4) . .
C14 N11 Cu2 120.7(3) . .
N12 N11 Cu2 129.7(3) . .
C16 N12 N11 105.8(4) . .
C17 N1 C21 118.5(4) . .
C17 N1 Cu1 128.0(4) . .
C21 N1 Cu1 113.6(3) . .
C22 N2 N3 108.4(4) . .
C22 N2 Cu1 116.2(3) . .
N3 N2 Cu1 135.5(3) . .
C24 N3 N2 107.3(4) . .
C24 N3 Cu2 124.8(3) . .
N2 N3 Cu2 127.6(3) . .
C25 N4 C29 118.0(4) . .
C25 N4 Cu1 133.0(4) . .
C29 N4 Cu1 109.0(3) . .
C30 N5 N6 108.8(4) . .
C30 N5 Cu1 120.9(3) . .
N6 N5 Cu1 129.8(3) . .
C32 N6 N5 106.3(4) . .
C32 N6 Cu2 127.8(3) . 3_675
N5 N6 Cu2 125.5(3) . 3_675
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N5 1.952(4) .
Cu1 N2 1.959(4) .
Cu1 N9 1.991(4) .
Cu1 N1 2.088(4) .
Cu1 N4 2.356(4) .
Cu2 N3 1.984(4) .
Cu2 N11 2.013(4) .
Cu2 N8 2.013(4) .
Cu2 N7 2.084(4) .
Cu2 N6 2.363(4) 3_675
Cu2 N10 2.477(4) .
C1 N7 1.332(6) .
C1 C2 1.366(7) .
C1 H1 0.9300 .
C2 C3 1.378(8) .
C2 H2 0.9300 .
C3 C4 1.380(7) .
C3 H3 0.9300 .
C4 C5 1.385(6) .
C4 H4 0.9300 .
C5 N7 1.352(6) .
C5 C6 1.433(6) .
C6 N8 1.353(5) .
C6 C7 1.381(6) .
C7 C8 1.368(7) .
C7 H7 0.9300 .
C8 N9 1.350(5) .
C8 H8 0.9300 .
C9 N10 1.325(6) .
C9 C10 1.375(8) .
C9 H9 0.9300 .
C10 C11 1.379(9) .
C10 H10 0.9300 .
C11 C12 1.363(8) .
C11 H11 0.9300 .
C12 C13 1.387(7) .
C12 H12 0.9300 .
C13 N10 1.334(6) .
C13 C14 1.461(7) .
C14 N11 1.350(6) .
C14 C15 1.378(7) .
C15 C16 1.360(7) .
C15 H15 0.9300 .
C16 N12 1.333(6) .
C16 H16 0.9300 .
C17 N1 1.333(6) .
C17 C18 1.379(7) .
C17 H17 0.9300 .
C18 C19 1.367(7) .
C18 H18 0.9300 .
C19 C20 1.370(7) .
C19 H19 0.9300 .
C20 C21 1.380(6) .
C20 H20 0.9300 .
C21 N1 1.351(6) .
C21 C22 1.446(7) .
C22 N2 1.340(5) .
C22 C23 1.385(6) .
C23 C24 1.372(6) .
C23 H23 0.9300 .
C24 N3 1.341(5) .
C24 H24 0.9300 .
C25 N4 1.344(6) .
C25 C26 1.378(7) .
C25 H25 0.9300 .
C26 C27 1.372(7) .
C26 H26 0.9300 .
C27 C28 1.375(7) .
C27 H27 0.9300 .
C28 C29 1.385(6) .
C28 H28 0.9300 .
C29 N4 1.346(6) .
C29 C30 1.467(6) .
C30 N5 1.351(5) .
C30 C31 1.375(6) .
C31 C32 1.385(6) .
C31 H31 0.9300 .
C32 N6 1.341(6) .
C32 H32 0.9300 .
N8 N9 1.359(5) .
N11 N12 1.360(5) .
N2 N3 1.362(5) .
N5 N6 1.366(5) .
N6 Cu2 2.363(4) 3_675
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_4
N7 C1 C2 C3 -2.8(8) . .
C1 C2 C3 C4 3.0(8) . .
C2 C3 C4 C5 0.0(8) . .
C3 C4 C5 N7 -3.4(8) . .
C3 C4 C5 C6 178.8(5) . .
N7 C5 C6 N8 0.1(6) . .
C4 C5 C6 N8 177.9(4) . .
N7 C5 C6 C7 -178.1(5) . .
C4 C5 C6 C7 -0.2(9) . .
N8 C6 C7 C8 0.0(5) . .
C5 C6 C7 C8 178.3(5) . .
C6 C7 C8 N9 -0.7(6) . .
N10 C9 C10 C11 -1.9(9) . .
C9 C10 C11 C12 1.0(10) . .
C10 C11 C12 C13 0.5(10) . .
C11 C12 C13 N10 -1.3(9) . .
C11 C12 C13 C14 179.0(5) . .
N10 C13 C14 N11 3.4(7) . .
C12 C13 C14 N11 -176.8(5) . .
N10 C13 C14 C15 -176.0(5) . .
C12 C13 C14 C15 3.8(9) . .
N11 C14 C15 C16 -0.8(6) . .
C13 C14 C15 C16 178.7(5) . .
C14 C15 C16 N12 1.3(6) . .
N1 C17 C18 C19 1.8(8) . .
C17 C18 C19 C20 -1.6(8) . .
C18 C19 C20 C21 -0.1(8) . .
C19 C20 C21 N1 1.6(8) . .
C19 C20 C21 C22 -178.4(5) . .
N1 C21 C22 N2 0.7(6) . .
C20 C21 C22 N2 -179.3(5) . .
N1 C21 C22 C23 -178.9(5) . .
C20 C21 C22 C23 1.1(9) . .
N2 C22 C23 C24 1.6(6) . .
C21 C22 C23 C24 -178.7(5) . .
C22 C23 C24 N3 -1.7(6) . .
N4 C25 C26 C27 -0.4(9) . .
C25 C26 C27 C28 -0.1(8) . .
C26 C27 C28 C29 0.6(8) . .
C27 C28 C29 N4 -0.7(8) . .
C27 C28 C29 C30 -179.9(5) . .
N4 C29 C30 N5 -0.6(6) . .
C28 C29 C30 N5 178.7(4) . .
N4 C29 C30 C31 174.8(5) . .
C28 C29 C30 C31 -6.0(8) . .
N5 C30 C31 C32 -1.3(5) . .
C29 C30 C31 C32 -177.0(5) . .
C30 C31 C32 N6 0.9(6) . .
C2 C1 N7 C5 -0.6(8) . .
C2 C1 N7 Cu2 172.8(4) . .
C4 C5 N7 C1 3.7(7) . .
C6 C5 N7 C1 -178.3(4) . .
C4 C5 N7 Cu2 -170.6(4) . .
C6 C5 N7 Cu2 7.4(5) . .
N3 Cu2 N7 C1 -166.2(17) . .
N11 Cu2 N7 C1 -22.4(4) . .
N8 Cu2 N7 C1 177.3(4) . .
N6 Cu2 N7 C1 76.2(4) 3_675 .
N10 Cu2 N7 C1 -96.5(4) . .
N3 Cu2 N7 C5 8(2) . .
N11 Cu2 N7 C5 151.3(3) . .
N8 Cu2 N7 C5 -8.9(3) . .
N6 Cu2 N7 C5 -110.1(3) 3_675 .
N10 Cu2 N7 C5 77.2(3) . .
C7 C6 N8 N9 0.7(5) . .
C5 C6 N8 N9 -177.9(4) . .
C7 C6 N8 Cu2 170.7(3) . .
C5 C6 N8 Cu2 -7.8(5) . .
N3 Cu2 N8 C6 -169.8(3) . .
N11 Cu2 N8 C6 -52.5(6) . .
N7 Cu2 N8 C6 8.9(3) . .
N6 Cu2 N8 C6 93.5(3) 3_675 .
N10 Cu2 N8 C6 -75.3(3) . .
N3 Cu2 N8 N9 -3.5(4) . .
N11 Cu2 N8 N9 113.7(5) . .
N7 Cu2 N8 N9 175.2(4) . .
N6 Cu2 N8 N9 -100.2(4) 3_675 .
N10 Cu2 N8 N9 91.0(4) . .
C7 C8 N9 N8 1.1(5) . .
C7 C8 N9 Cu1 -166.5(3) . .
C6 N8 N9 C8 -1.1(5) . .
Cu2 N8 N9 C8 -168.0(3) . .
C6 N8 N9 Cu1 166.7(3) . .
Cu2 N8 N9 Cu1 -0.2(6) . .
N5 Cu1 N9 C8 -11.5(4) . .
N2 Cu1 N9 C8 170.5(4) . .
N1 Cu1 N9 C8 -113.3(10) . .
N4 Cu1 N9 C8 64.7(4) . .
N5 Cu1 N9 N8 -177.0(3) . .
N2 Cu1 N9 N8 5.1(4) . .
N1 Cu1 N9 N8 81.2(11) . .
N4 Cu1 N9 N8 -100.7(3) . .
C10 C9 N10 C13 1.1(8) . .
C10 C9 N10 Cu2 177.3(4) . .
C12 C13 N10 C9 0.5(8) . .
C14 C13 N10 C9 -179.7(4) . .
C12 C13 N10 Cu2 -176.5(4) . .
C14 C13 N10 Cu2 3.2(5) . .
N3 Cu2 N10 C9 84.5(5) . .
N11 Cu2 N10 C9 177.4(5) . .
N8 Cu2 N10 C9 -11.5(5) . .
N7 Cu2 N10 C9 -91.1(5) . .
N6 Cu2 N10 C9 -127.7(7) 3_675 .
N3 Cu2 N10 C13 -99.1(3) . .
N11 Cu2 N10 C13 -6.1(3) . .
N8 Cu2 N10 C13 165.0(3) . .
N7 Cu2 N10 C13 85.3(3) . .
N6 Cu2 N10 C13 48.7(8) 3_675 .
C15 C14 N11 N12 0.0(6) . .
C13 C14 N11 N12 -179.5(4) . .
C15 C14 N11 Cu2 169.3(3) . .
C13 C14 N11 Cu2 -10.2(6) . .
N3 Cu2 N11 C14 102.5(4) . .
N8 Cu2 N11 C14 -15.1(6) . .
N7 Cu2 N11 C14 -74.7(4) . .
N6 Cu2 N11 C14 -161.3(4) 3_675 .
N10 Cu2 N11 C14 8.5(3) . .
N3 Cu2 N11 N12 -90.7(4) . .
N8 Cu2 N11 N12 151.7(4) . .
N7 Cu2 N11 N12 92.0(4) . .
N6 Cu2 N11 N12 5.4(4) 3_675 .
N10 Cu2 N11 N12 175.3(4) . .
C15 C16 N12 N11 -1.3(6) . .
C14 N11 N12 C16 0.8(5) . .
Cu2 N11 N12 C16 -167.2(4) . .
C18 C17 N1 C21 -0.3(8) . .
C18 C17 N1 Cu1 179.0(4) . .
C20 C21 N1 C17 -1.4(7) . .
C22 C21 N1 C17 178.6(4) . .
C20 C21 N1 Cu1 179.2(4) . .
C22 C21 N1 Cu1 -0.8(5) . .
N5 Cu1 N1 C17 1.8(4) . .
N2 Cu1 N1 C17 -178.8(4) . .
N9 Cu1 N1 C17 103.6(11) . .
N4 Cu1 N1 C17 -74.5(4) . .
N5 Cu1 N1 C21 -178.8(3) . .
N2 Cu1 N1 C21 0.5(3) . .
N9 Cu1 N1 C21 -77.1(11) . .
N4 Cu1 N1 C21 104.9(3) . .
C23 C22 N2 N3 -0.9(5) . .
C21 C22 N2 N3 179.4(4) . .
C23 C22 N2 Cu1 179.5(3) . .
C21 C22 N2 Cu1 -0.3(5) . .
N5 Cu1 N2 C22 4.0(12) . .
N9 Cu1 N2 C22 171.1(3) . .
N1 Cu1 N2 C22 -0.1(3) . .
N4 Cu1 N2 C22 -89.2(3) . .
N5 Cu1 N2 N3 -175.5(8) . .
N9 Cu1 N2 N3 -8.4(4) . .
N1 Cu1 N2 N3 -179.6(4) . .
N4 Cu1 N2 N3 91.3(4) . .
C23 C24 N3 N2 1.2(6) . .
C23 C24 N3 Cu2 175.1(3) . .
C22 N2 N3 C24 -0.2(5) . .
Cu1 N2 N3 C24 179.3(3) . .
C22 N2 N3 Cu2 -173.8(3) . .
Cu1 N2 N3 Cu2 5.7(6) . .
N11 Cu2 N3 C24 28.4(4) . .
N8 Cu2 N3 C24 -171.7(4) . .
N7 Cu2 N3 C24 172.0(17) . .
N6 Cu2 N3 C24 -70.7(4) 3_675 .
N10 Cu2 N3 C24 102.8(4) . .
N11 Cu2 N3 N2 -159.1(4) . .
N8 Cu2 N3 N2 0.9(4) . .
N7 Cu2 N3 N2 -15(2) . .
N6 Cu2 N3 N2 101.9(4) 3_675 .
N10 Cu2 N3 N2 -84.7(4) . .
C26 C25 N4 C29 0.4(8) . .
C26 C25 N4 Cu1 -176.3(4) . .
C28 C29 N4 C25 0.2(7) . .
C30 C29 N4 C25 179.4(4) . .
C28 C29 N4 Cu1 177.6(4) . .
C30 C29 N4 Cu1 -3.1(5) . .
N5 Cu1 N4 C25 -178.8(5) . .
N2 Cu1 N4 C25 -8.3(5) . .
N9 Cu1 N4 C25 92.2(5) . .
N1 Cu1 N4 C25 -88.1(5) . .
N5 Cu1 N4 C29 4.3(3) . .
N2 Cu1 N4 C29 174.8(3) . .
N9 Cu1 N4 C29 -84.7(3) . .
N1 Cu1 N4 C29 95.0(3) . .
C31 C30 N5 N6 1.3(5) . .
C29 C30 N5 N6 177.6(4) . .
C31 C30 N5 Cu1 -171.3(3) . .
C29 C30 N5 Cu1 5.1(6) . .
N2 Cu1 N5 C30 -100.5(10) . .
N9 Cu1 N5 C30 92.2(3) . .
N1 Cu1 N5 C30 -96.5(3) . .
N4 Cu1 N5 C30 -5.0(3) . .
N2 Cu1 N5 N6 88.7(10) . .
N9 Cu1 N5 N6 -78.6(4) . .
N1 Cu1 N5 N6 92.7(4) . .
N4 Cu1 N5 N6 -175.8(4) . .
C31 C32 N6 N5 -0.2(5) . .
C31 C32 N6 Cu2 173.8(3) . 3_675
C30 N5 N6 C32 -0.7(5) . .
Cu1 N5 N6 C32 171.0(3) . .
C30 N5 N6 Cu2 -174.8(3) . 3_675
Cu1 N5 N6 Cu2 -3.2(5) . 3_675
