#------------------------------------------------------------------------------
#$Date: 2017-07-11 14:26:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198632 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/02/4340264.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_4340264
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            'C30 H21 Cu2 N9 O2'
_chemical_formula_weight         666.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 97.964(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.674(6)
_cell_length_b                   12.787(4)
_cell_length_c                   21.570(7)
_cell_measurement_reflns_used    2280
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.747
_cell_measurement_theta_min      2.194
_cell_volume                     5374(3)
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0738
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            15767
_diffrn_reflns_theta_full        27.05
_diffrn_reflns_theta_max         27.05
_diffrn_reflns_theta_min         1.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.631
_exptl_absorpt_correction_T_max  0.8159
_exptl_absorpt_correction_T_min  0.7054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Deep-blue
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5821
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0606
_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/[σ²(Fo²)+(0.0522P)²+2.0256P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1274
_reflns_number_gt                4071
_reflns_number_total             5821
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic051488dsi20051028_113801.cif
_cod_data_source_block           5
_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 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scan'' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4340264
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'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
C1 C 0.2166(3) 0.5295(3) 0.3536(2) 0.0417(11) Uani 1 1 d .
H1A H 0.1692 0.5289 0.3530 0.050 Uiso 1 1 calc R
C2 C 0.2433(3) 0.5762(3) 0.3051(2) 0.0511(13) Uani 1 1 d .
H2A H 0.2146 0.6076 0.2724 0.061 Uiso 1 1 calc R
C3 C 0.3130(3) 0.5756(4) 0.3056(2) 0.0535(14) Uani 1 1 d .
H3A H 0.3320 0.6058 0.2727 0.064 Uiso 1 1 calc R
C4 C 0.3549(3) 0.5310(3) 0.3544(2) 0.0463(12) Uani 1 1 d .
H4A H 0.4023 0.5302 0.3552 0.056 Uiso 1 1 calc R
C5 C 0.3246(2) 0.4865(3) 0.4028(2) 0.0355(10) Uani 1 1 d .
C6 C 0.3631(2) 0.4392(3) 0.4582(2) 0.0337(10) Uani 1 1 d .
C7 C 0.4316(2) 0.4204(4) 0.4770(2) 0.0474(12) Uani 1 1 d .
H7A H 0.4682 0.4368 0.4557 0.057 Uiso 1 1 calc R
C8 C 0.4338(2) 0.3724(4) 0.5336(2) 0.0473(12) Uani 1 1 d .
H8A H 0.4737 0.3504 0.5584 0.057 Uiso 1 1 calc R
C9 C 0.2111(3) 0.6524(4) 0.5414(2) 0.0429(11) Uani 1 1 d .
H9A H 0.2570 0.6459 0.5584 0.052 Uiso 1 1 calc R
C10 C 0.1765(3) 0.7420(4) 0.5527(2) 0.0556(14) Uani 1 1 d .
H10A H 0.1987 0.7954 0.5768 0.067 Uiso 1 1 calc R
C11 C 0.1093(3) 0.7519(4) 0.5283(3) 0.0633(16) Uani 1 1 d .
H11A H 0.0852 0.8120 0.5360 0.076 Uiso 1 1 calc R
C12 C 0.0772(3) 0.6727(4) 0.4923(2) 0.0502(13) Uani 1 1 d .
H12A H 0.0312 0.6784 0.4753 0.060 Uiso 1 1 calc R
C13 C 0.1149(2) 0.5838(3) 0.4820(2) 0.0348(10) Uani 1 1 d .
C14 C 0.0872(2) 0.4956(3) 0.44314(19) 0.0340(10) Uani 1 1 d .
C15 C 0.0253(2) 0.4771(4) 0.4068(2) 0.0505(13) Uani 1 1 d .
H15A H -0.0135 0.5196 0.4017 0.061 Uiso 1 1 calc R
C16 C 0.0338(3) 0.3808(4) 0.3795(2) 0.0566(14) Uani 1 1 d .
H16A H 0.0004 0.3469 0.3519 0.068 Uiso 1 1 calc R
C17 C 0.3593(3) 0.1743(4) 0.7466(2) 0.0575(14) Uani 1 1 d .
H17A H 0.4066 0.1789 0.7471 0.069 Uiso 1 1 calc R
C18 C 0.3348(4) 0.1251(5) 0.7952(2) 0.0716(18) Uani 1 1 d .
H18A H 0.3648 0.0957 0.8276 0.086 Uiso 1 1 calc R
C19 C 0.2651(4) 0.1200(4) 0.7952(2) 0.0636(16) Uani 1 1 d .
H19A H 0.2472 0.0864 0.8276 0.076 Uiso 1 1 calc R
C20 C 0.2219(3) 0.1650(4) 0.7469(2) 0.0485(12) Uani 1 1 d .
H20A H 0.1746 0.1634 0.7466 0.058 Uiso 1 1 calc R
C21 C 0.2501(3) 0.2125(3) 0.69907(19) 0.0376(11) Uani 1 1 d .
C22 C 0.2097(2) 0.2631(3) 0.64463(19) 0.0327(10) Uani 1 1 d .
C23 C 0.1412(2) 0.2824(3) 0.6278(2) 0.0424(11) Uani 1 1 d .
H23A H 0.1052 0.2657 0.6497 0.051 Uiso 1 1 calc R
C24 C 0.1380(2) 0.3320(3) 0.5712(2) 0.0412(11) Uani 1 1 d .
H24A H 0.0977 0.3555 0.5477 0.049 Uiso 1 1 calc R
C25 C 0.4542(3) 0.4312(4) 0.6887(2) 0.0489(13) Uani 1 1 d .
C26 C 0.4572(2) 0.5479(4) 0.70123(19) 0.0375(10) Uani 1 1 d .
C27 C 0.5000 0.5986(4) 0.7500 0.0329(14) Uani 1 2 d S
C28 C 0.5000 0.7105(6) 0.7500 0.056(2) Uani 1 2 d S
C29 C 0.4576(4) 0.7648(5) 0.7032(4) 0.098(3) Uani 1 1 d .
H29A H 0.4575 0.8375 0.7039 0.117 Uiso 1 1 calc R
C30 C 0.4178(5) 0.7152(8) 0.6580(4) 0.119(4) Uani 1 1 d .
H30A H 0.3905 0.7528 0.6271 0.143 Uiso 1 1 calc R
C31 C 0.4172(3) 0.6073(6) 0.6571(3) 0.0757(19) Uani 1 1 d .
H31A H 0.3886 0.5733 0.6254 0.091 Uiso 1 1 calc R
Cu1 Cu 0.22575(2) 0.41457(4) 0.47989(2) 0.02774(15) Uani 1 1 d .
Cu2 Cu 0.34851(3) 0.28809(4) 0.62291(2) 0.03627(17) Uani 1 1 d .
N1 N 0.25632(18) 0.4845(2) 0.40208(15) 0.0318(8) Uani 1 1 d .
N2 N 0.32595(17) 0.4034(2) 0.50130(16) 0.0303(8) Uani 1 1 d .
N3 N 0.37034(18) 0.3615(3) 0.54835(16) 0.0360(8) Uani 1 1 d .
N4 N 0.18113(18) 0.5741(3) 0.50664(16) 0.0338(8) Uani 1 1 d .
N5 N 0.12948(17) 0.4139(3) 0.43746(15) 0.0306(8) Uani 1 1 d .
N6 N 0.09649(18) 0.3435(3) 0.39820(16) 0.0347(8) Uani 1 1 d .
N7 N 0.3180(2) 0.2163(3) 0.69810(16) 0.0415(9) Uani 1 1 d .
N8 N 0.24544(17) 0.2991(2) 0.60056(15) 0.0299(8) Uani 1 1 d .
N9 N 0.20053(17) 0.3420(3) 0.55436(15) 0.0309(8) Uani 1 1 d .
O1 O 0.3936(2) 0.3954(3) 0.68269(17) 0.0796(13) Uani 1 1 d .
O2 O 0.5066(2) 0.3851(3) 0.68082(17) 0.0632(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
N1 C1 C2 122.4(5) . .
N1 C1 H1A 118.8 . .
C2 C1 H1A 118.8 . .
C3 C2 C1 118.7(5) . .
C3 C2 H2A 120.6 . .
C1 C2 H2A 120.6 . .
C4 C3 C2 120.3(5) . .
C4 C3 H3A 119.9 . .
C2 C3 H3A 119.9 . .
C3 C4 C5 118.2(5) . .
C3 C4 H4A 120.9 . .
C5 C4 H4A 120.9 . .
N1 C5 C4 122.1(4) . .
N1 C5 C6 114.1(4) . .
C4 C5 C6 123.8(4) . .
N2 C6 C7 110.0(4) . .
N2 C6 C5 116.1(4) . .
C7 C6 C5 133.9(4) . .
C8 C7 C6 104.6(4) . .
C8 C7 H7A 127.7 . .
C6 C7 H7A 127.7 . .
N3 C8 C7 110.1(4) . .
N3 C8 H8A 124.9 . .
C7 C8 H8A 124.9 . .
N4 C9 C10 122.2(5) . .
N4 C9 H9A 118.9 . .
C10 C9 H9A 118.9 . .
C11 C10 C9 119.3(5) . .
C11 C10 H10A 120.3 . .
C9 C10 H10A 120.3 . .
C10 C11 C12 119.8(5) . .
C10 C11 H11A 120.1 . .
C12 C11 H11A 120.1 . .
C11 C12 C13 118.5(5) . .
C11 C12 H12A 120.7 . .
C13 C12 H12A 120.7 . .
N4 C13 C12 121.4(4) . .
N4 C13 C14 114.8(4) . .
C12 C13 C14 123.8(4) . .
N5 C14 C15 108.9(4) . .
N5 C14 C13 117.6(4) . .
C15 C14 C13 133.5(4) . .
C14 C15 C16 104.2(4) . .
C14 C15 H15A 127.9 . .
C16 C15 H15A 127.9 . .
N6 C16 C15 110.5(4) . .
N6 C16 H16A 124.7 . .
C15 C16 H16A 124.7 . .
N7 C17 C18 122.8(6) . .
N7 C17 H17A 118.6 . .
C18 C17 H17A 118.6 . .
C17 C18 C19 118.7(5) . .
C17 C18 H18A 120.6 . .
C19 C18 H18A 120.6 . .
C18 C19 C20 119.5(5) . .
C18 C19 H19A 120.3 . .
C20 C19 H19A 120.3 . .
C19 C20 C21 118.7(5) . .
C19 C20 H20A 120.7 . .
C21 C20 H20A 120.7 . .
N7 C21 C20 122.2(4) . .
N7 C21 C22 113.7(4) . .
C20 C21 C22 124.1(5) . .
N8 C22 C23 110.1(4) . .
N8 C22 C21 115.9(4) . .
C23 C22 C21 134.0(4) . .
C22 C23 C24 104.1(4) . .
C22 C23 H23A 128.0 . .
C24 C23 H23A 128.0 . .
N9 C24 C23 110.9(4) . .
N9 C24 H24A 124.6 . .
C23 C24 H24A 124.6 . .
O2 C25 O1 127.8(5) . .
O2 C25 C26 119.2(4) . .
O1 C25 C26 112.8(5) . .
C31 C26 C27 119.1(5) . .
C31 C26 C25 114.5(5) . .
C27 C26 C25 126.2(4) . .
C26 C27 C26 125.3(6) 2_656 .
C26 C27 C28 117.4(3) 2_656 .
C26 C27 C28 117.4(3) . .
C29 C28 C29 120.5(9) 2_656 .
C29 C28 C27 119.7(5) 2_656 .
C29 C28 C27 119.7(5) . .
C30 C29 C28 121.7(7) . .
C30 C29 H29A 119.2 . .
C28 C29 H29A 119.2 . .
C29 C30 C31 119.5(7) . .
C29 C30 H30A 120.3 . .
C31 C30 H30A 120.3 . .
C26 C31 C30 122.6(7) . .
C26 C31 H31A 118.7 . .
C30 C31 H31A 118.7 . .
N2 Cu1 N9 97.54(13) . .
N2 Cu1 N5 165.64(14) . .
N9 Cu1 N5 92.39(13) . .
N2 Cu1 N1 80.03(14) . .
N9 Cu1 N1 176.89(14) . .
N5 Cu1 N1 89.65(13) . .
N2 Cu1 N4 113.96(13) . .
N9 Cu1 N4 93.69(13) . .
N5 Cu1 N4 75.50(13) . .
N1 Cu1 N4 89.09(12) . .
N3 Cu2 O1 94.14(15) . .
N3 Cu2 N8 95.58(14) . .
O1 Cu2 N8 116.43(15) . .
N3 Cu2 N7 175.33(15) . .
O1 Cu2 N7 87.08(15) . .
N8 Cu2 N7 79.85(15) . .
N3 Cu2 N6 91.60(15) . 7_556
O1 Cu2 N6 119.76(16) . 7_556
N8 Cu2 N6 122.53(13) . 7_556
N7 Cu2 N6 91.70(14) . 7_556
C5 N1 C1 118.3(4) . .
C5 N1 Cu1 113.8(3) . .
C1 N1 Cu1 127.9(3) . .
C6 N2 N3 107.3(3) . .
C6 N2 Cu1 115.9(3) . .
N3 N2 Cu1 136.6(3) . .
C8 N3 N2 107.9(4) . .
C8 N3 Cu2 124.2(3) . .
N2 N3 Cu2 127.7(3) . .
C9 N4 C13 118.8(4) . .
C9 N4 Cu1 130.0(3) . .
C13 N4 Cu1 111.2(3) . .
N6 N5 C14 109.1(3) . .
N6 N5 Cu1 129.9(2) . .
C14 N5 Cu1 120.9(3) . .
C16 N6 N5 107.4(3) . .
C16 N6 Cu2 135.2(3) . 7_556
N5 N6 Cu2 117.3(2) . 7_556
C21 N7 C17 118.0(4) . .
C21 N7 Cu2 115.8(3) . .
C17 N7 Cu2 126.1(4) . .
C22 N8 N9 107.9(3) . .
C22 N8 Cu2 114.5(3) . .
N9 N8 Cu2 137.3(3) . .
C24 N9 N8 107.0(3) . .
C24 N9 Cu1 127.6(3) . .
N8 N9 Cu1 125.2(3) . .
C25 O1 Cu2 129.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.345(5) .
C1 C2 1.371(6) .
C1 H1A 0.9300 .
C2 C3 1.371(7) .
C2 H2A 0.9300 .
C3 C4 1.368(7) .
C3 H3A 0.9300 .
C4 C5 1.393(6) .
C4 H4A 0.9300 .
C5 N1 1.341(5) .
C5 C6 1.456(6) .
C6 N2 1.341(5) .
C6 C7 1.373(6) .
C7 C8 1.363(6) .
C7 H7A 0.9300 .
C8 N3 1.338(5) .
C8 H8A 0.9300 .
C9 N4 1.337(5) .
C9 C10 1.372(6) .
C9 H9A 0.9300 .
C10 C11 1.358(7) .
C10 H10A 0.9300 .
C11 C12 1.376(7) .
C11 H11A 0.9300 .
C12 C13 1.392(6) .
C12 H12A 0.9300 .
C13 N4 1.343(5) .
C13 C14 1.464(6) .
C14 N5 1.351(5) .
C14 C15 1.376(6) .
C15 C16 1.386(6) .
C15 H15A 0.9300 .
C16 N6 1.332(5) .
C16 H16A 0.9300 .
C17 N7 1.346(6) .
C17 C18 1.365(8) .
C17 H17A 0.9300 .
C18 C19 1.374(8) .
C18 H18A 0.9300 .
C19 C20 1.375(7) .
C19 H19A 0.9300 .
C20 C21 1.379(6) .
C20 H20A 0.9300 .
C21 N7 1.338(6) .
C21 C22 1.474(6) .
C22 N8 1.340(5) .
C22 C23 1.367(6) .
C23 C24 1.368(6) .
C23 H23A 0.9300 .
C24 N9 1.336(5) .
C24 H24A 0.9300 .
C25 O2 1.219(6) .
C25 O1 1.267(6) .
C25 C26 1.515(7) .
C26 C31 1.378(7) .
C26 C27 1.411(5) .
C27 C26 1.411(5) 2_656
C27 C28 1.431(9) .
C28 C29 1.401(8) 2_656
C28 C29 1.401(8) .
C29 C30 1.326(11) .
C29 H29A 0.9300 .
C30 C31 1.380(10) .
C30 H30A 0.9300 .
C31 H31A 0.9300 .
Cu1 N2 1.967(3) .
Cu1 N9 1.977(3) .
Cu1 N5 1.986(3) .
Cu1 N1 2.064(3) .
Cu1 N4 2.325(3) .
Cu2 N3 1.961(4) .
Cu2 O1 2.004(3) .
Cu2 N8 2.023(3) .
Cu2 N7 2.026(4) .
Cu2 N6 2.085(3) 7_556
N2 N3 1.354(4) .
N5 N6 1.340(4) .
N6 Cu2 2.085(3) 7_556
N8 N9 1.353(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_4
N1 C1 C2 C3 0.9(7) . .
C1 C2 C3 C4 -1.2(7) . .
C2 C3 C4 C5 0.0(7) . .
C3 C4 C5 N1 1.5(6) . .
C3 C4 C5 C6 -178.2(4) . .
N1 C5 C6 N2 -2.0(5) . .
C4 C5 C6 N2 177.7(4) . .
N1 C5 C6 C7 176.8(4) . .
C4 C5 C6 C7 -3.5(7) . .
N2 C6 C7 C8 -0.5(5) . .
C5 C6 C7 C8 -179.3(4) . .
C6 C7 C8 N3 0.6(5) . .
N4 C9 C10 C11 0.4(8) . .
C9 C10 C11 C12 -0.5(8) . .
C10 C11 C12 C13 0.1(8) . .
C11 C12 C13 N4 0.5(7) . .
C11 C12 C13 C14 -178.2(4) . .
N4 C13 C14 N5 1.7(6) . .
C12 C13 C14 N5 -179.5(4) . .
N4 C13 C14 C15 -175.0(5) . .
C12 C13 C14 C15 3.8(8) . .
N5 C14 C15 C16 -0.3(5) . .
C13 C14 C15 C16 176.6(5) . .
C14 C15 C16 N6 0.2(6) . .
N7 C17 C18 C19 -1.3(8) . .
C17 C18 C19 C20 -0.6(8) . .
C18 C19 C20 C21 1.2(8) . .
C19 C20 C21 N7 0.0(7) . .
C19 C20 C21 C22 179.8(4) . .
N7 C21 C22 N8 4.1(5) . .
C20 C21 C22 N8 -175.7(4) . .
N7 C21 C22 C23 -176.1(4) . .
C20 C21 C22 C23 4.0(7) . .
N8 C22 C23 C24 0.0(5) . .
C21 C22 C23 C24 -179.8(4) . .
C22 C23 C24 N9 0.3(5) . .
O2 C25 C26 C31 118.7(5) . .
O1 C25 C26 C31 -55.7(6) . .
O2 C25 C26 C27 -56.5(6) . .
O1 C25 C26 C27 129.1(4) . .
C31 C26 C27 C26 178.9(5) . 2_656
C25 C26 C27 C26 -6.1(3) . 2_656
C31 C26 C27 C28 -1.1(5) . .
C25 C26 C27 C28 173.9(3) . .
C26 C27 C28 C29 1.0(4) 2_656 2_656
C26 C27 C28 C29 -179.0(4) . 2_656
C26 C27 C28 C29 -179.0(4) 2_656 .
C26 C27 C28 C29 1.0(4) . .
C29 C28 C29 C30 179.1(9) 2_656 .
C27 C28 C29 C30 -0.9(9) . .
C28 C29 C30 C31 0.8(12) . .
C27 C26 C31 C30 1.0(8) . .
C25 C26 C31 C30 -174.6(6) . .
C29 C30 C31 C26 -0.8(12) . .
C4 C5 N1 C1 -1.8(6) . .
C6 C5 N1 C1 177.9(3) . .
C4 C5 N1 Cu1 -179.7(3) . .
C6 C5 N1 Cu1 0.0(4) . .
C2 C1 N1 C5 0.5(6) . .
C2 C1 N1 Cu1 178.2(3) . .
N2 Cu1 N1 C5 1.3(3) . .
N9 Cu1 N1 C5 -38(3) . .
N5 Cu1 N1 C5 -168.7(3) . .
N4 Cu1 N1 C5 115.8(3) . .
N2 Cu1 N1 C1 -176.5(4) . .
N9 Cu1 N1 C1 145(2) . .
N5 Cu1 N1 C1 13.6(3) . .
N4 Cu1 N1 C1 -61.9(3) . .
C7 C6 N2 N3 0.2(5) . .
C5 C6 N2 N3 179.3(3) . .
C7 C6 N2 Cu1 -175.9(3) . .
C5 C6 N2 Cu1 3.1(4) . .
N9 Cu1 N2 C6 175.6(3) . .
N5 Cu1 N2 C6 42.2(7) . .
N1 Cu1 N2 C6 -2.4(3) . .
N4 Cu1 N2 C6 -86.9(3) . .
N9 Cu1 N2 N3 1.0(4) . .
N5 Cu1 N2 N3 -132.4(5) . .
N1 Cu1 N2 N3 -177.0(4) . .
N4 Cu1 N2 N3 98.5(4) . .
C7 C8 N3 N2 -0.5(5) . .
C7 C8 N3 Cu2 175.6(3) . .
C6 N2 N3 C8 0.2(4) . .
Cu1 N2 N3 C8 175.1(3) . .
C6 N2 N3 Cu2 -175.8(3) . .
Cu1 N2 N3 Cu2 -0.8(5) . .
O1 Cu2 N3 C8 68.4(4) . .
N8 Cu2 N3 C8 -174.5(4) . .
N7 Cu2 N3 C8 173.5(16) . .
N6 Cu2 N3 C8 -51.6(4) 7_556 .
O1 Cu2 N3 N2 -116.3(3) . .
N8 Cu2 N3 N2 0.8(3) . .
N7 Cu2 N3 N2 -11(2) . .
N6 Cu2 N3 N2 123.7(3) 7_556 .
C10 C9 N4 C13 0.2(6) . .
C10 C9 N4 Cu1 -179.7(3) . .
C12 C13 N4 C9 -0.6(6) . .
C14 C13 N4 C9 178.2(4) . .
C12 C13 N4 Cu1 179.3(3) . .
C14 C13 N4 Cu1 -1.9(4) . .
N2 Cu1 N4 C9 -10.3(4) . .
N9 Cu1 N4 C9 89.7(4) . .
N5 Cu1 N4 C9 -178.8(4) . .
N1 Cu1 N4 C9 -88.9(4) . .
N2 Cu1 N4 C13 169.9(3) . .
N9 Cu1 N4 C13 -90.2(3) . .
N5 Cu1 N4 C13 1.3(3) . .
N1 Cu1 N4 C13 91.2(3) . .
C15 C14 N5 N6 0.3(5) . .
C13 C14 N5 N6 -177.2(3) . .
C15 C14 N5 Cu1 177.0(3) . .
C13 C14 N5 Cu1 -0.5(5) . .
N2 Cu1 N5 N6 42.6(7) . .
N9 Cu1 N5 N6 -91.3(3) . .
N1 Cu1 N5 N6 86.3(3) . .
N4 Cu1 N5 N6 175.5(4) . .
N2 Cu1 N5 C14 -133.4(5) . .
N9 Cu1 N5 C14 92.8(3) . .
N1 Cu1 N5 C14 -89.6(3) . .
N4 Cu1 N5 C14 -0.4(3) . .
C15 C16 N6 N5 -0.1(6) . .
C15 C16 N6 Cu2 -176.4(3) . 7_556
C14 N5 N6 C16 -0.2(5) . .
Cu1 N5 N6 C16 -176.5(3) . .
C14 N5 N6 Cu2 177.0(3) . 7_556
Cu1 N5 N6 Cu2 0.6(4) . 7_556
C20 C21 N7 C17 -1.7(6) . .
C22 C21 N7 C17 178.5(4) . .
C20 C21 N7 Cu2 179.2(3) . .
C22 C21 N7 Cu2 -0.6(4) . .
C18 C17 N7 C21 2.4(7) . .
C18 C17 N7 Cu2 -178.6(4) . .
N3 Cu2 N7 C21 10.4(19) . .
O1 Cu2 N7 C21 115.7(3) . .
N8 Cu2 N7 C21 -1.8(3) . .
N6 Cu2 N7 C21 -124.6(3) 7_556 .
N3 Cu2 N7 C17 -168.6(16) . .
O1 Cu2 N7 C17 -63.2(4) . .
N8 Cu2 N7 C17 179.2(4) . .
N6 Cu2 N7 C17 56.5(4) 7_556 .
C23 C22 N8 N9 -0.2(4) . .
C21 C22 N8 N9 179.6(3) . .
C23 C22 N8 Cu2 174.6(3) . .
C21 C22 N8 Cu2 -5.6(4) . .
N3 Cu2 N8 C22 -174.9(3) . .
O1 Cu2 N8 C22 -77.5(3) . .
N7 Cu2 N8 C22 4.1(3) . .
N6 Cu2 N8 C22 89.6(3) 7_556 .
N3 Cu2 N8 N9 -2.2(4) . .
O1 Cu2 N8 N9 95.2(4) . .
N7 Cu2 N8 N9 176.8(4) . .
N6 Cu2 N8 N9 -97.7(4) 7_556 .
C23 C24 N9 N8 -0.4(5) . .
C23 C24 N9 Cu1 -176.1(3) . .
C22 N8 N9 C24 0.4(4) . .
Cu2 N8 N9 C24 -172.7(3) . .
C22 N8 N9 Cu1 176.2(3) . .
Cu2 N8 N9 Cu1 3.2(5) . .
N2 Cu1 N9 C24 173.0(4) . .
N5 Cu1 N9 C24 -17.4(4) . .
N1 Cu1 N9 C24 -148(2) . .
N4 Cu1 N9 C24 58.2(4) . .
N2 Cu1 N9 N8 -1.9(3) . .
N5 Cu1 N9 N8 167.7(3) . .
N1 Cu1 N9 N8 37(3) . .
N4 Cu1 N9 N8 -116.7(3) . .
O2 C25 O1 Cu2 -33.6(8) . .
C26 C25 O1 Cu2 140.1(4) . .
N3 Cu2 O1 C25 -54.5(5) . .
N8 Cu2 O1 C25 -152.8(5) . .
N7 Cu2 O1 C25 130.0(5) . .
N6 Cu2 O1 C25 39.7(6) 7_556 .
