#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:27:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180040 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/34/7033449.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_7033449
loop_
_publ_author_name
'Yang, En-Cui'
'Liu, Zhong-Yi'
'Chen, Si-Hang'
'Su, Yan-Hong'
'Zhang, Yan-Yan'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Four linear Cu(II)3 subunit-based coordination polymers with various
 inter-subunit connections, spin ground-states and intra-/inter-subunit
 magnetic couplings.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3190
_journal_page_last               3199
_journal_paper_doi               10.1039/c4dt03741c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C12 H21 Cl Cu3 N23 O5, 3(Cl O4)'
_chemical_formula_sum            'C12 H21 Cl4 Cu3 N23 O17'
_chemical_formula_weight         1091.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-27 deposited with the CCDC.
2014-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2905(17)
_cell_length_b                   17.329(2)
_cell_length_c                   17.319(2)
_cell_measurement_reflns_used    4678
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.35
_cell_volume                     3688.6(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0673
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18025
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    2.104
_exptl_absorpt_correction_T_max  0.7571
_exptl_absorpt_correction_T_min  0.7294
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2180
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.778
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3376
_refine_ls_number_restraints     101
_refine_ls_restrained_S_all      1.348
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0720
_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/[σ²(Fo²)+(0.1004P)²+26.5264P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1772
_refine_ls_wR_factor_ref         0.1921
_reflns_number_gt                2575
_reflns_number_total             3376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03741c1.cif
_cod_data_source_block           121105b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2935 2014-11-11 08:27:57Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' 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 

 Adding full bibliography for 7033447--7033450.cif.
;
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               7033449
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.17802(9) 0.15349(5) 0.47095(6) 0.0234(4) Uani 1 1 d . . .
Cu2 Cu 0.0000 0.0000 0.5000 0.0232(4) Uani 1 2 d S . .
O1 O 0.1238(7) 0.2500 0.4415(5) 0.0257(19) Uani 1 2 d S . .
H1 H 0.0695 0.2500 0.4111 0.039 Uiso 1 2 d SR . .
Cl1 Cl 0.3192(4) 0.2500 0.1496(2) 0.0502(10) Uani 1 2 d S . .
Cl2 Cl 0.4116(3) 0.2500 0.3951(3) 0.0484(11) Uani 1 2 d S . .
O6 O 0.3454(6) 0.1819(4) 0.3885(5) 0.052(2) Uani 1 1 d . . .
O7 O 0.4629(11) 0.2500 0.4698(9) 0.069(4) Uani 1 2 d S . .
O8 O 0.4924(12) 0.2500 0.3371(11) 0.089(5) Uani 1 2 d S . .
O9 O 0.2831(16) 0.1852(9) 0.1826(8) 0.152(7) Uani 1 1 d . . .
O10 O 0.4299(17) 0.2500 0.1525(15) 0.179(11) Uani 1 2 d S . .
O11 O 0.286(2) 0.2500 0.0697(10) 0.141(9) Uani 1 2 d S . .
Cl3 Cl 0.3275(9) 0.6037(5) 0.3165(5) 0.098(2) Uani 0.481(6) 1 d PDU A 1
O2 O 0.2742(19) 0.6584(12) 0.3667(15) 0.206(12) Uani 0.481(6) 1 d PDU A 1
O3 O 0.2759(18) 0.5287(9) 0.3240(17) 0.146(9) Uani 0.481(6) 1 d PDU A 1
O4 O 0.325(3) 0.6291(18) 0.2382(10) 0.32(3) Uani 0.481(6) 1 d PDU A 1
O5 O 0.4416(13) 0.5959(14) 0.3415(16) 0.146(9) Uani 0.481(6) 1 d PDU A 1
Cl3' Cl 0.2488(8) 0.5701(5) 0.2750(5) 0.098(2) Uani 0.519(6) 1 d PDU A 2
O2' O 0.1468(14) 0.6051(13) 0.2939(15) 0.206(12) Uani 0.519(6) 1 d PDU A 2
O3' O 0.2382(19) 0.5215(12) 0.2085(12) 0.146(9) Uani 0.519(6) 1 d PDU A 2
O4' O 0.289(2) 0.5264(15) 0.3395(12) 0.32(3) Uani 0.519(6) 1 d PDU A 2
O5' O 0.3276(17) 0.6313(12) 0.2574(16) 0.146(9) Uani 0.519(6) 1 d PDU A 2
N1 N 0.0254(6) 0.0469(4) 0.3964(4) 0.0250(17) Uani 1 1 d . . .
N2 N 0.1011(6) 0.1036(4) 0.3832(4) 0.0254(16) Uani 1 1 d . . .
N3 N 0.0287(7) 0.0723(4) 0.2749(4) 0.035(2) Uani 1 1 d . . .
N4 N 0.0082(9) 0.0714(6) 0.1947(5) 0.056(3) Uani 1 1 d . . .
H4A H -0.0029 0.0209 0.1855 0.067 Uiso 1 1 d R . .
H4B H -0.0524 0.1000 0.1888 0.067 Uiso 1 1 d R . .
N5 N 0.1637(6) -0.0099(4) 0.5132(4) 0.0267(17) Uani 1 1 d . . .
N6 N 0.2357(6) 0.0510(4) 0.5026(4) 0.0247(16) Uani 1 1 d . . .
N7 N 0.3266(6) -0.0545(4) 0.5205(5) 0.0303(18) Uani 1 1 d . . .
N8 N 0.4184(7) -0.1035(5) 0.5270(6) 0.043(2) Uani 1 1 d . . .
H8A H 0.4081 -0.1431 0.4942 0.052 Uiso 1 1 d R . .
H8B H 0.4144 -0.1177 0.5769 0.052 Uiso 1 1 d R . .
N9 N 0.2531(7) 0.2110(4) 0.5562(4) 0.0293(17) Uani 1 1 d . . .
N10 N 0.3478(14) 0.2500 0.6526(7) 0.059(4) Uani 1 2 d S . .
N11 N 0.419(2) 0.2500 0.7174(11) 0.115(9) Uani 1 2 d SD . .
H11A H 0.3810 0.2500 0.7621 0.173 Uiso 1 2 d SRD . .
H11B H 0.4706 0.2892 0.7144 0.173 Uiso 0.50 1 d PRD . .
N12 N 0.0106(7) 0.1250(4) 0.5537(5) 0.0337(19) Uani 1 1 d . . .
N13 N -0.0387(14) 0.2500 0.6094(8) 0.061(5) Uani 1 2 d S . .
C1 C 0.1016(8) 0.1176(5) 0.3093(5) 0.031(2) Uani 1 1 d . . .
H1A H 0.1457 0.1534 0.2846 0.037 Uiso 1 1 calc R . .
C2 C -0.0167(8) 0.0292(6) 0.3297(5) 0.034(2) Uani 1 1 d . . .
H2 H -0.0702 -0.0078 0.3216 0.040 Uiso 1 1 calc R . .
C3 C 0.3336(8) 0.0225(5) 0.5063(5) 0.029(2) Uani 1 1 d . . .
H3 H 0.3978 0.0503 0.5002 0.035 Uiso 1 1 calc R . .
C4 C 0.2211(8) -0.0717(5) 0.5237(5) 0.030(2) Uani 1 1 d . . .
H4 H 0.1929 -0.1208 0.5323 0.036 Uiso 1 1 calc R . .
C5 C 0.3099(10) 0.1890(6) 0.6157(6) 0.046(3) Uani 1 1 d . . .
H5 H 0.3219 0.1380 0.6300 0.055 Uiso 1 1 calc R . .
C6 C -0.0115(8) 0.1854(5) 0.5775(5) 0.033(2) 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'
Cl Cl 0.1484 0.1585 '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
O1 Cu1 N2 90.6(3) . .
O1 Cu1 N6 179.8(3) . .
N2 Cu1 N6 89.5(3) . .
O1 Cu1 N9 85.5(3) . .
N2 Cu1 N9 176.0(3) . .
N6 Cu1 N9 94.4(3) . .
N1 Cu2 N1 179.999(1) 5_556 .
N1 Cu2 N5 91.1(3) 5_556 .
N1 Cu2 N5 88.9(3) . .
N1 Cu2 N5 88.9(3) 5_556 5_556
N1 Cu2 N5 91.1(3) . 5_556
N5 Cu2 N5 180.0 . 5_556
N1 Cu2 N12 91.6(3) 5_556 .
N1 Cu2 N12 88.4(3) . .
N5 Cu2 N12 88.8(3) . .
N5 Cu2 N12 91.2(3) 5_556 .
N1 Cu2 N12 88.4(3) 5_556 5_556
N1 Cu2 N12 91.6(3) . 5_556
N5 Cu2 N12 91.2(3) . 5_556
N5 Cu2 N12 88.8(3) 5_556 5_556
N12 Cu2 N12 179.999(1) . 5_556
Cu1 O1 Cu1 126.7(5) . 8_565
Cu1 O1 H1 116.7 . .
Cu1 O1 H1 116.7 8_565 .
O9 Cl1 O9 114.4(16) . 8_565
O9 Cl1 O10 108.4(10) . .
O9 Cl1 O10 108.4(10) 8_565 .
O9 Cl1 O11 108.4(9) . .
O9 Cl1 O11 108.4(9) 8_565 .
O10 Cl1 O11 108.6(16) . .
O8 Cl2 O6 109.9(5) . .
O8 Cl2 O6 109.9(5) . 8_565
O6 Cl2 O6 110.3(7) . 8_565
O8 Cl2 O7 109.4(10) . .
O6 Cl2 O7 108.7(5) . .
O6 Cl2 O7 108.7(5) 8_565 .
O4 Cl3 O2 111.0(7) . .
O4 Cl3 O3 110.5(7) . .
O2 Cl3 O3 109.6(7) . .
O4 Cl3 O5 109.3(7) . .
O2 Cl3 O5 108.4(7) . .
O3 Cl3 O5 107.9(7) . .
O2' Cl3' O3' 110.6(7) . .
O2' Cl3' O4' 110.4(7) . .
O3' Cl3' O4' 110.3(7) . .
O2' Cl3' O5' 108.7(7) . .
O3' Cl3' O5' 108.5(7) . .
O4' Cl3' O5' 108.3(7) . .
C2 N1 N2 106.8(7) . .
C2 N1 Cu2 129.8(6) . .
N2 N1 Cu2 123.2(5) . .
C1 N2 N1 107.5(7) . .
C1 N2 Cu1 131.9(6) . .
N1 N2 Cu1 120.4(5) . .
C2 N3 C1 107.1(7) . .
C2 N3 N4 128.5(8) . .
C1 N3 N4 124.4(8) . .
N3 N4 H4A 102.2 . .
N3 N4 H4B 104.6 . .
H4A N4 H4B 112.9 . .
C4 N5 N6 107.4(7) . .
C4 N5 Cu2 128.7(6) . .
N6 N5 Cu2 123.5(5) . .
C3 N6 N5 107.1(7) . .
C3 N6 Cu1 132.9(6) . .
N5 N6 Cu1 119.2(6) . .
C4 N7 C3 106.8(8) . .
C4 N7 N8 129.6(8) . .
C3 N7 N8 123.5(8) . .
N7 N8 H8A 107.2 . .
N7 N8 H8B 101.4 . .
H8A N8 H8B 112.9 . .
C5 N9 N9 107.1(6) . 8_565
C5 N9 Cu1 133.1(6) . .
N9 N9 Cu1 119.8(2) 8_565 .
C5 N10 C5 106.3(12) 8_565 .
C5 N10 N11 126.8(6) 8_565 .
C5 N10 N11 126.8(6) . .
N10 N11 H11A 111.4 . .
N10 N11 H11B 112.0 . .
H11A N11 H11B 113.5 . .
C6 N12 Cu2 163.1(8) . .
C6 N13 C6 120.1(13) 8_565 .
N2 C1 N3 109.1(8) . .
N2 C1 H1A 125.5 . .
N3 C1 H1A 125.5 . .
N1 C2 N3 109.6(8) . .
N1 C2 H2 125.2 . .
N3 C2 H2 125.2 . .
N6 C3 N7 108.8(8) . .
N6 C3 H3 125.6 . .
N7 C3 H3 125.6 . .
N5 C4 N7 109.8(8) . .
N5 C4 H4 125.1 . .
N7 C4 H4 125.1 . .
N9 C5 N10 109.8(9) . .
N9 C5 H5 125.1 . .
N10 C5 H5 125.1 . .
N12 C6 N13 175.2(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.871(4) .
Cu1 N2 1.988(7) .
Cu1 N6 1.990(7) .
Cu1 N9 2.006(7) .
Cu2 N1 1.994(7) 5_556
Cu2 N1 1.994(7) .
Cu2 N5 2.032(8) .
Cu2 N5 2.032(8) 5_556
Cu2 N12 2.362(8) .
Cu2 N12 2.362(8) 5_556
O1 Cu1 1.871(4) 8_565
O1 H1 0.8500 .
Cl1 O9 1.336(12) .
Cl1 O9 1.336(12) 8_565
Cl1 O10 1.36(2) .
Cl1 O11 1.442(18) .
Cl2 O8 1.413(14) .
Cl2 O6 1.437(8) .
Cl2 O6 1.437(8) 8_565
Cl2 O7 1.439(15) .
Cl3 O4 1.427(13) .
Cl3 O2 1.443(12) .
Cl3 O3 1.452(12) .
Cl3 O5 1.473(12) .
Cl3' O2' 1.431(12) .
Cl3' O3' 1.433(12) .
Cl3' O4' 1.437(12) .
Cl3' O5' 1.468(12) .
N1 C2 1.302(12) .
N1 N2 1.372(10) .
N2 C1 1.302(11) .
N3 C2 1.329(12) .
N3 C1 1.332(12) .
N3 N4 1.413(11) .
N4 H4A 0.8999 .
N4 H4B 0.9002 .
N5 C4 1.296(12) .
N5 N6 1.389(10) .
N6 C3 1.302(12) .
N7 C4 1.332(12) .
N7 C3 1.360(11) .
N7 N8 1.416(11) .
N8 H8A 0.9001 .
N8 H8B 0.8999 .
N9 C5 1.301(12) .
N9 N9 1.351(14) 8_565
N10 C5 1.321(13) 8_565
N10 C5 1.321(13) .
N10 N11 1.42(2) .
N11 H11A 0.9008 .
N11 H11B 0.9341 .
N12 C6 1.156(12) .
N13 C6 1.293(11) 8_565
N13 C6 1.293(11) .
C1 H1A 0.9300 .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 H5 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N2 Cu1 O1 Cu1 -161.5(6) . 8_565
N6 Cu1 O1 Cu1 55(100) . 8_565
N9 Cu1 O1 Cu1 17.8(6) . 8_565
N1 Cu2 N1 C2 -168.6(15) 5_556 .
N5 Cu2 N1 C2 129.2(9) . .
N5 Cu2 N1 C2 -50.8(9) 5_556 .
N12 Cu2 N1 C2 -142.0(9) . .
N12 Cu2 N1 C2 38.0(9) 5_556 .
N1 Cu2 N1 N2 16.2(9) 5_556 .
N5 Cu2 N1 N2 -46.0(7) . .
N5 Cu2 N1 N2 134.0(7) 5_556 .
N12 Cu2 N1 N2 42.8(7) . .
N12 Cu2 N1 N2 -137.2(7) 5_556 .
C2 N1 N2 C1 -0.1(10) . .
Cu2 N1 N2 C1 176.0(6) . .
C2 N1 N2 Cu1 175.5(6) . .
Cu2 N1 N2 Cu1 -8.4(9) . .
O1 Cu1 N2 C1 53.8(9) . .
N6 Cu1 N2 C1 -126.3(9) . .
N9 Cu1 N2 C1 43(5) . .
O1 Cu1 N2 N1 -120.5(7) . .
N6 Cu1 N2 N1 59.4(6) . .
N9 Cu1 N2 N1 -131(4) . .
N1 Cu2 N5 C4 60.0(8) 5_556 .
N1 Cu2 N5 C4 -120.0(8) . .
N5 Cu2 N5 C4 -46(2) 5_556 .
N12 Cu2 N5 C4 151.6(8) . .
N12 Cu2 N5 C4 -28.4(8) 5_556 .
N1 Cu2 N5 N6 -128.3(7) 5_556 .
N1 Cu2 N5 N6 51.7(7) . .
N5 Cu2 N5 N6 125.3(18) 5_556 .
N12 Cu2 N5 N6 -36.7(7) . .
N12 Cu2 N5 N6 143.3(7) 5_556 .
C4 N5 N6 C3 0.8(10) . .
Cu2 N5 N6 C3 -172.4(6) . .
C4 N5 N6 Cu1 172.0(6) . .
Cu2 N5 N6 Cu1 -1.2(9) . .
O1 Cu1 N6 C3 -101(100) . .
N2 Cu1 N6 C3 115.7(9) . .
N9 Cu1 N6 C3 -63.5(9) . .
O1 Cu1 N6 N5 90(100) . .
N2 Cu1 N6 N5 -52.8(6) . .
N9 Cu1 N6 N5 128.0(6) . .
O1 Cu1 N9 C5 173.6(11) . .
N2 Cu1 N9 C5 -175(4) . .
N6 Cu1 N9 C5 -6.3(10) . .
O1 Cu1 N9 N9 -9.1(3) . 8_565
N2 Cu1 N9 N9 2(5) . 8_565
N6 Cu1 N9 N9 171.0(2) . 8_565
N1 Cu2 N12 C6 -87(3) 5_556 .
N1 Cu2 N12 C6 93(3) . .
N5 Cu2 N12 C6 -178(3) . .
N5 Cu2 N12 C6 2(3) 5_556 .
N12 Cu2 N12 C6 91(3) 5_556 .
N1 N2 C1 N3 0.3(10) . .
Cu1 N2 C1 N3 -174.5(6) . .
C2 N3 C1 N2 -0.4(11) . .
N4 N3 C1 N2 -179.3(9) . .
N2 N1 C2 N3 -0.2(11) . .
Cu2 N1 C2 N3 -175.9(6) . .
C1 N3 C2 N1 0.4(12) . .
N4 N3 C2 N1 179.2(10) . .
N5 N6 C3 N7 -1.2(10) . .
Cu1 N6 C3 N7 -170.7(6) . .
C4 N7 C3 N6 1.2(11) . .
N8 N7 C3 N6 179.2(8) . .
N6 N5 C4 N7 -0.1(10) . .
Cu2 N5 C4 N7 172.6(6) . .
C3 N7 C4 N5 -0.7(11) . .
N8 N7 C4 N5 -178.5(9) . .
N9 N9 C5 N10 -1.3(13) 8_565 .
Cu1 N9 C5 N10 176.3(10) . .
C5 N10 C5 N9 2(2) 8_565 .
N11 N10 C5 N9 -175.9(19) . .
Cu2 N12 C6 N13 79(17) . .
C6 N13 C6 N12 168(15) 8_565 .
