#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:35:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179926 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/21/7022164.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_7022164
loop_
_publ_author_name
'Yang, En-Cui'
'Liu, Zhong-Yi'
'Zhang, Cui-Hua'
'Yang, You-Li'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Structural diversity directed by switchable coordination of substitute
 groups in a ternary Cu(II)-triazole-sulfoisophthalate self-assembly
 system: synthesis, crystal structures and magnetic behavior.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1581
_journal_page_last               1590
_journal_paper_doi               10.1039/c2dt31935g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C24 H34 Cu3 N16 O20 S2'
_chemical_formula_weight         1121.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.615(5)
_cell_angle_beta                 98.559(8)
_cell_angle_gamma                107.441(8)
_cell_formula_units_Z            1
_cell_length_a                   10.243(8)
_cell_length_b                   11.126(4)
_cell_length_c                   11.904(5)
_cell_measurement_reflns_used    2806
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      2.28
_cell_volume                     1078.3(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5378
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.657
_exptl_absorpt_correction_T_max  0.8134
_exptl_absorpt_correction_T_min  0.7892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             569
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         3728
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0421
_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)+(0.0612P)²+1.3743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                3100
_reflns_number_total             3728
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31935g.txt
_cod_data_source_block           n101103a
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z 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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022164
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.0000 0.0000 0.5000 0.02403(19) Uani 1 2 d S . .
Cu2 Cu 0.86424(5) 0.27157(5) 0.51917(5) 0.02719(17) Uani 1 1 d . . .
S1 S 0.34404(12) 0.34584(13) 0.09518(11) 0.0365(3) Uani 1 1 d . . .
O1 O 0.0951(3) 0.2237(3) 0.5101(3) 0.0394(7) Uani 1 1 d . . .
O2 O 0.0002(3) 0.2980(3) 0.3884(3) 0.0402(7) Uani 1 1 d . . .
O3 O 0.6075(3) 0.2805(4) 0.5770(3) 0.0464(8) Uani 1 1 d . . .
O4 O 0.7147(3) 0.3140(3) 0.4366(3) 0.0356(7) Uani 1 1 d . . .
O5 O 0.4931(4) 0.4376(5) 0.1166(4) 0.0548(9) Uani 1 1 d . . .
O6 O 0.2471(3) 0.4178(4) 0.0913(3) 0.0443(8) Uani 1 1 d . . .
O7 O 0.2861(5) 0.1943(4) -0.0214(4) 0.0663(11) Uani 1 1 d . . .
O8 O 0.9803(3) 0.4841(3) 0.6606(3) 0.0351(7) Uani 1 1 d . . .
H8A H 0.9901 0.5565 0.6502 0.053 Uiso 1 1 d R . .
H8B H 1.0665 0.4973 0.6941 0.053 Uiso 1 1 d R . .
O9 O 0.7846(4) 0.4752(5) 0.1645(4) 0.0753(13) Uani 1 1 d . . .
H9A H 0.7224 0.5103 0.1850 0.113 Uiso 1 1 d R . .
H9B H 0.7438 0.3836 0.1392 0.113 Uiso 1 1 d R . .
N1 N -0.1969(3) -0.0529(4) 0.3791(3) 0.0268(7) Uani 1 1 d . . .
N2 N -0.2477(3) 0.0514(4) 0.3851(3) 0.0283(7) Uani 1 1 d . . .
N3 N -0.4217(3) -0.1729(4) 0.2456(3) 0.0309(8) Uani 1 1 d . . .
N4 N -0.5623(4) -0.2857(4) 0.1539(4) 0.0479(10) Uani 1 1 d . . .
H4" H -0.5522 -0.3434 0.0754 0.057 Uiso 1 1 d R . .
H4' H -0.6007 -0.3366 0.1903 0.057 Uiso 1 1 d R . .
N5 N -0.0445(3) 0.1253(4) 0.6663(3) 0.0272(7) Uani 1 1 d . . .
N6 N -0.1008(3) 0.2244(4) 0.6688(3) 0.0293(7) Uani 1 1 d . . .
N7 N -0.0761(4) 0.2356(4) 0.8590(3) 0.0329(8) Uani 1 1 d . . .
N8 N -0.0745(4) 0.2892(5) 0.9942(4) 0.0456(10) Uani 1 1 d . . .
H8" H -0.1243 0.2037 0.9888 0.055 Uiso 1 1 d R . .
H8' H 0.0201 0.3334 1.0448 0.055 Uiso 1 1 d R . .
C1 C -0.3844(4) -0.0250(5) 0.3028(4) 0.0346(10) Uani 1 1 d . . .
H1 H -0.4455 0.0167 0.2868 0.041 Uiso 1 1 calc R . .
C2 C -0.3035(4) -0.1864(4) 0.2940(4) 0.0295(9) Uani 1 1 d . . .
H2 H -0.2978 -0.2764 0.2709 0.035 Uiso 1 1 calc R . .
C3 C -0.1193(4) 0.2894(5) 0.7862(4) 0.0330(9) Uani 1 1 d . . .
H3 H -0.1564 0.3612 0.8146 0.040 Uiso 1 1 calc R . .
C4 C -0.0298(4) 0.1352(5) 0.7818(4) 0.0324(9) Uani 1 1 d . . .
H4 H 0.0072 0.0810 0.8068 0.039 Uiso 1 1 calc R . .
C5 C 0.2318(4) 0.2907(4) 0.3863(4) 0.0262(8) Uani 1 1 d . . .
C6 C 0.3553(4) 0.2876(4) 0.4505(4) 0.0283(8) Uani 1 1 d . . .
H6 H 0.3561 0.2724 0.5210 0.034 Uiso 1 1 calc R . .
C7 C 0.4773(4) 0.3067(4) 0.4110(4) 0.0278(8) Uani 1 1 d . . .
C8 C 0.4761(4) 0.3285(4) 0.3046(4) 0.0281(8) Uani 1 1 d . . .
H8 H 0.5572 0.3419 0.2776 0.034 Uiso 1 1 calc R . .
C9 C 0.3520(4) 0.3303(4) 0.2387(4) 0.0274(8) Uani 1 1 d . . .
C10 C 0.2315(4) 0.3130(4) 0.2799(4) 0.0291(9) Uani 1 1 d . . .
H10 H 0.1503 0.3161 0.2367 0.035 Uiso 1 1 calc R . .
C11 C 0.1008(4) 0.2690(4) 0.4307(4) 0.0292(9) Uani 1 1 d . . .
C12 C 0.6095(4) 0.3016(4) 0.4830(4) 0.0314(9) Uani 1 1 d . . .
O10 O 0.1352(19) 0.9148(17) 0.9053(15) 0.126(5) Uani 0.40 1 d PU A 1
O10' O 0.2949(19) 0.9551(17) 1.0169(19) 0.088(5) Uani 0.30 1 d PU B 2
O10" O 0.438(2) 0.9471(18) 0.983(2) 0.098(5) Uani 0.30 1 d PU . 3
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'
S S 0.1246 0.1234 '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 Cu1 N1 179.998(1) . 2_556
N1 Cu1 N5 90.32(13) . .
N1 Cu1 N5 89.68(13) 2_556 .
N1 Cu1 N5 89.68(13) . 2_556
N1 Cu1 N5 90.32(13) 2_556 2_556
N5 Cu1 N5 180.0 . 2_556
N1 Cu1 O1 89.86(12) . .
N1 Cu1 O1 90.14(12) 2_556 .
N5 Cu1 O1 83.28(12) . .
N5 Cu1 O1 96.72(12) 2_556 .
N1 Cu1 O1 90.14(12) . 2_556
N1 Cu1 O1 89.86(12) 2_556 2_556
N5 Cu1 O1 96.72(12) . 2_556
N5 Cu1 O1 83.28(12) 2_556 2_556
O1 Cu1 O1 180.0 . 2_556
O8 Cu2 O4 92.58(12) . .
O8 Cu2 N2 175.59(12) . 1_655
O4 Cu2 N2 91.30(13) . 1_655
O8 Cu2 N6 87.62(13) . 1_655
O4 Cu2 N6 136.41(12) . 1_655
N2 Cu2 N6 88.14(14) 1_655 1_655
O8 Cu2 O2 89.49(12) . 1_655
O4 Cu2 O2 92.56(12) . 1_655
N2 Cu2 O2 92.41(13) 1_655 1_655
N6 Cu2 O2 131.02(12) 1_655 1_655
O7 S1 O6 111.8(2) . .
O7 S1 O5 113.1(2) . .
O6 S1 O5 111.9(2) . .
O7 S1 C9 106.2(2) . .
O6 S1 C9 106.82(18) . .
O5 S1 C9 106.4(2) . .
C11 O1 Cu1 138.9(3) . .
C11 O2 Cu2 98.6(3) . 1_455
C12 O4 Cu2 111.1(3) . .
Cu2 O8 H8A 125.1 . .
Cu2 O8 H8B 109.1 . .
H8A O8 H8B 105.2 . .
H9A O9 H9B 105.6 . .
C2 N1 N2 107.7(3) . .
C2 N1 Cu1 127.9(3) . .
N2 N1 Cu1 124.1(2) . .
C1 N2 N1 106.5(3) . .
C1 N2 Cu2 129.7(3) . 1_455
N1 N2 Cu2 123.1(2) . 1_455
C2 N3 C1 106.6(3) . .
C2 N3 N4 129.5(4) . .
C1 N3 N4 123.8(3) . .
N3 N4 H4" 107.6 . .
N3 N4 H4' 108.6 . .
H4" N4 H4' 113.1 . .
C4 N5 N6 107.4(3) . .
C4 N5 Cu1 133.0(3) . .
N6 N5 Cu1 119.6(2) . .
C3 N6 N5 107.1(3) . .
C3 N6 Cu2 126.9(3) . 1_455
N5 N6 Cu2 125.9(2) . 1_455
C4 N7 C3 106.2(3) . .
C4 N7 N8 130.1(4) . .
C3 N7 N8 123.5(3) . .
N7 N8 H8" 101.9 . .
N7 N8 H8' 105.1 . .
H8" N8 H8' 112.9 . .
N2 C1 N3 109.7(3) . .
N2 C1 H1 125.2 . .
N3 C1 H1 125.2 . .
N1 C2 N3 109.5(3) . .
N1 C2 H2 125.2 . .
N3 C2 H2 125.2 . .
N6 C3 N7 109.4(4) . .
N6 C3 H3 125.3 . .
N7 C3 H3 125.3 . .
N5 C4 N7 109.8(4) . .
N5 C4 H4 125.1 . .
N7 C4 H4 125.1 . .
C6 C5 C10 118.9(4) . .
C6 C5 C11 120.3(4) . .
C10 C5 C11 120.8(3) . .
C7 C6 C5 121.4(4) . .
C7 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
C6 C7 C8 119.4(3) . .
C6 C7 C12 119.8(4) . .
C8 C7 C12 120.8(4) . .
C7 C8 C9 119.6(4) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 120.5(4) . .
C10 C9 S1 119.2(3) . .
C8 C9 S1 120.1(3) . .
C9 C10 C5 120.2(4) . .
C9 C10 H10 119.9 . .
C5 C10 H10 119.9 . .
O1 C11 O2 121.8(4) . .
O1 C11 C5 118.8(3) . .
O2 C11 C5 119.4(4) . .
O3 C12 O4 124.6(4) . .
O3 C12 C7 119.6(4) . .
O4 C12 C7 115.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.031(3) .
Cu1 N1 2.031(3) 2_556
Cu1 N5 2.040(3) .
Cu1 N5 2.040(3) 2_556
Cu1 O1 2.322(3) .
Cu1 O1 2.322(3) 2_556
Cu2 O8 1.967(3) .
Cu2 O4 1.988(3) .
Cu2 N2 2.002(3) 1_655
Cu2 N6 2.090(3) 1_655
Cu2 O2 2.296(3) 1_655
S1 O7 1.452(4) .
S1 O6 1.459(3) .
S1 O5 1.465(4) .
S1 C9 1.788(4) .
O1 C11 1.262(5) .
O2 C11 1.271(5) .
O2 Cu2 2.296(3) 1_455
O3 C12 1.248(5) .
O4 C12 1.281(5) .
O8 H8A 0.8499 .
O8 H8B 0.8499 .
O9 H9A 0.8515 .
O9 H9B 0.8524 .
N1 C2 1.314(5) .
N1 N2 1.386(4) .
N2 C1 1.322(5) .
N2 Cu2 2.002(3) 1_455
N3 C2 1.343(5) .
N3 C1 1.350(5) .
N3 N4 1.421(5) .
N4 H4" 0.8988 .
N4 H4' 0.8991 .
N5 C4 1.308(5) .
N5 N6 1.381(4) .
N6 C3 1.318(5) .
N6 Cu2 2.090(3) 1_455
N7 C4 1.347(5) .
N7 C3 1.353(5) .
N7 N8 1.430(5) .
N8 H8" 0.9006 .
N8 H8' 0.8995 .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 C6 1.396(5) .
C5 C10 1.399(6) .
C5 C11 1.507(5) .
C6 C7 1.390(6) .
C6 H6 0.9300 .
C7 C8 1.395(6) .
C7 C12 1.522(5) .
C8 C9 1.402(5) .
C8 H8 0.9300 .
C9 C10 1.388(6) .
C10 H10 0.9300 .
O10" O10" 1.30(3) 2_677
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 Cu1 O1 C11 -50.9(4) . .
N1 Cu1 O1 C11 129.1(4) 2_556 .
N5 Cu1 O1 C11 -141.3(4) . .
N5 Cu1 O1 C11 38.7(4) 2_556 .
O1 Cu1 O1 C11 -35(11) 2_556 .
O8 Cu2 O4 C12 -93.6(3) . .
N2 Cu2 O4 C12 84.3(3) 1_655 .
N6 Cu2 O4 C12 -4.4(4) 1_655 .
O2 Cu2 O4 C12 176.8(3) 1_655 .
N1 Cu1 N1 C2 -49(7) 2_556 .
N5 Cu1 N1 C2 -119.6(3) . .
N5 Cu1 N1 C2 60.4(3) 2_556 .
O1 Cu1 N1 C2 157.1(3) . .
O1 Cu1 N1 C2 -22.9(3) 2_556 .
N1 Cu1 N1 N2 123(7) 2_556 .
N5 Cu1 N1 N2 52.4(3) . .
N5 Cu1 N1 N2 -127.6(3) 2_556 .
O1 Cu1 N1 N2 -30.8(3) . .
O1 Cu1 N1 N2 149.2(3) 2_556 .
C2 N1 N2 C1 0.3(4) . .
Cu1 N1 N2 C1 -173.1(3) . .
C2 N1 N2 Cu2 171.4(3) . 1_455
Cu1 N1 N2 Cu2 -2.0(4) . 1_455
N1 Cu1 N5 C4 134.0(4) . .
N1 Cu1 N5 C4 -46.0(4) 2_556 .
N5 Cu1 N5 C4 -139(8) 2_556 .
O1 Cu1 N5 C4 -136.2(4) . .
O1 Cu1 N5 C4 43.8(4) 2_556 .
N1 Cu1 N5 N6 -46.7(3) . .
N1 Cu1 N5 N6 133.3(3) 2_556 .
N5 Cu1 N5 N6 40(8) 2_556 .
O1 Cu1 N5 N6 43.1(3) . .
O1 Cu1 N5 N6 -136.9(3) 2_556 .
C4 N5 N6 C3 -0.7(4) . .
Cu1 N5 N6 C3 179.8(3) . .
C4 N5 N6 Cu2 175.5(3) . 1_455
Cu1 N5 N6 Cu2 -4.0(4) . 1_455
N1 N2 C1 N3 0.1(5) . .
Cu2 N2 C1 N3 -170.2(3) 1_455 .
C2 N3 C1 N2 -0.5(5) . .
N4 N3 C1 N2 178.8(4) . .
N2 N1 C2 N3 -0.6(4) . .
Cu1 N1 C2 N3 172.5(3) . .
C1 N3 C2 N1 0.7(5) . .
N4 N3 C2 N1 -178.5(4) . .
N5 N6 C3 N7 0.3(5) . .
Cu2 N6 C3 N7 -175.9(3) 1_455 .
C4 N7 C3 N6 0.2(5) . .
N8 N7 C3 N6 176.4(4) . .
N6 N5 C4 N7 0.8(5) . .
Cu1 N5 C4 N7 -179.8(3) . .
C3 N7 C4 N5 -0.6(5) . .
N8 N7 C4 N5 -176.5(4) . .
C10 C5 C6 C7 0.3(6) . .
C11 C5 C6 C7 179.7(4) . .
C5 C6 C7 C8 -0.4(6) . .
C5 C6 C7 C12 -179.7(3) . .
C6 C7 C8 C9 -0.3(6) . .
C12 C7 C8 C9 179.0(3) . .
C7 C8 C9 C10 1.1(6) . .
C7 C8 C9 S1 -175.9(3) . .
O7 S1 C9 C10 -88.6(4) . .
O6 S1 C9 C10 30.9(4) . .
O5 S1 C9 C10 150.6(3) . .
O7 S1 C9 C8 88.4(4) . .
O6 S1 C9 C8 -152.1(3) . .
O5 S1 C9 C8 -32.4(4) . .
C8 C9 C10 C5 -1.2(6) . .
S1 C9 C10 C5 175.8(3) . .
C6 C5 C10 C9 0.5(6) . .
C11 C5 C10 C9 -178.9(4) . .
Cu1 O1 C11 O2 86.3(5) . .
Cu1 O1 C11 C5 -94.3(5) . .
Cu2 O2 C11 O1 7.0(4) 1_455 .
Cu2 O2 C11 C5 -172.4(3) 1_455 .
C6 C5 C11 O1 -11.7(6) . .
C10 C5 C11 O1 167.8(4) . .
C6 C5 C11 O2 167.7(4) . .
C10 C5 C11 O2 -12.8(6) . .
Cu2 O4 C12 O3 6.6(5) . .
Cu2 O4 C12 C7 -170.5(2) . .
C6 C7 C12 O3 -0.1(6) . .
C8 C7 C12 O3 -179.3(4) . .
C6 C7 C12 O4 177.2(4) . .
C8 C7 C12 O4 -2.1(5) . .
