#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/54/4505465.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_4505465
loop_
_publ_author_name
'Yang, En-Cui'
'Ding, Bo'
'Liu, Zhong-Yi'
'Yang, You-Li'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Structural Transformation from a Discrete CuII4Cluster to Two Extended
 CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the
 Spacer Functionality: Synthesis, Crystal Structures, and Magnetic
 Properties
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1185
_journal_paper_doi               10.1021/cg2011666
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C22 H25.2 Cu5 N6 O20.6'
_chemical_formula_weight         1020.98
_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                91.2710(10)
_cell_angle_beta                 96.3370(10)
_cell_angle_gamma                93.6990(10)
_cell_formula_units_Z            1
_cell_length_a                   8.0427(5)
_cell_length_b                   8.9697(6)
_cell_length_c                   10.7156(7)
_cell_measurement_reflns_used    3628
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      3.01
_cell_volume                     766.37(9)
_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 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.0141
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3763
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.517
_exptl_absorpt_correction_T_max  0.6577
_exptl_absorpt_correction_T_min  0.6205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    2.212
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             509
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.794
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         2591
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0293
_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)+(0.0317P)²+2.4189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0743
_reflns_number_gt                2480
_reflns_number_total             2591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2011666_si_003.cif
_cod_data_source_block           n101019b
_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.

'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

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_original_formula_sum        'C22 H25.20 Cu5 N6 O20.60'
_cod_database_code               4505465
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 0.75890(5) 0.76420(4) 0.54229(3) 0.00769(13) Uani 1 1 d . . .
Cu2 Cu 0.38432(5) 0.91096(4) 0.57108(4) 0.00959(13) Uani 1 1 d . . .
O1 O 0.9044(3) 0.8533(2) 0.4262(2) 0.0128(5) Uani 1 1 d . . .
O2 O 0.7923(3) 1.0492(2) 0.3288(2) 0.0142(5) Uani 1 1 d . . .
O3 O 1.0795(3) 0.6044(2) 0.3075(2) 0.0130(5) Uani 1 1 d . . .
O4 O 1.2288(3) 0.7355(2) 0.4654(2) 0.0112(5) Uani 1 1 d . . .
O5 O 1.4882(3) 0.7068(3) 0.2632(2) 0.0170(5) Uani 1 1 d . . .
O6 O 1.3784(3) 0.6665(3) 0.0633(2) 0.0157(5) Uani 1 1 d . . .
O7 O 0.5707(3) 0.8763(2) 0.4731(2) 0.0085(4) Uani 1 1 d . . .
H7' H 0.5220 0.8229 0.3955 0.010 Uiso 1 1 calc R . .
O8 O 0.9609(3) 0.6703(2) 0.6159(2) 0.0110(5) Uani 1 1 d . . .
H8A H 0.9555 0.5776 0.6309 0.017 Uiso 1 1 d R . .
H8B H 1.0423 0.6835 0.5722 0.017 Uiso 1 1 d R . .
O9 O 0.6896(4) 0.5502(3) 0.4289(2) 0.0238(6) Uani 1 1 d . . .
H9A H 0.6908 0.4655 0.4629 0.036 Uiso 1 1 d R . .
H9B H 0.5969 0.5481 0.3822 0.036 Uiso 1 1 d R . .
N1 N 0.6328(3) 0.7115(3) 0.6851(2) 0.0092(5) Uani 1 1 d . . .
N2 N 0.4839(3) 0.7727(3) 0.6987(2) 0.0097(5) Uani 1 1 d . . .
N3 N 0.5381(4) 0.6221(3) 0.8557(3) 0.0114(6) Uani 1 1 d . A .
C1 C 0.4316(4) 0.7179(3) 0.8015(3) 0.0116(7) Uani 1 1 d . . .
H1 H 0.3333 0.7423 0.8329 0.014 Uiso 1 1 calc R . .
C2 C 0.6607(4) 0.6225(3) 0.7808(3) 0.0106(6) Uani 1 1 d . . .
H2 H 0.7543 0.5668 0.7944 0.013 Uiso 1 1 calc R . .
C3 C 1.0402(4) 0.9630(3) 0.2639(3) 0.0091(6) Uani 1 1 d . . .
C4 C 1.1583(4) 0.8539(3) 0.2674(3) 0.0090(6) Uani 1 1 d . . .
C5 C 1.2716(4) 0.8563(3) 0.1777(3) 0.0105(6) Uani 1 1 d . . .
C6 C 1.2720(4) 0.9686(3) 0.0894(3) 0.0104(6) Uani 1 1 d . . .
H6 H 1.3478 0.9687 0.0298 0.012 Uiso 1 1 calc R . .
C7 C 1.1607(4) 1.0791(4) 0.0899(3) 0.0112(6) Uani 1 1 d . . .
H7 H 1.1642 1.1558 0.0331 0.013 Uiso 1 1 calc R . .
C8 C 1.0436(4) 1.0751(3) 0.1755(3) 0.0096(6) Uani 1 1 d . . .
H8 H 0.9662 1.1480 0.1742 0.012 Uiso 1 1 calc R . .
C9 C 0.9010(4) 0.9549(3) 0.3467(3) 0.0091(6) Uani 1 1 d . . .
C10 C 1.1538(4) 0.7223(3) 0.3547(3) 0.0101(6) Uani 1 1 d . . .
C11 C 1.3905(4) 0.7340(4) 0.1691(3) 0.0122(7) Uani 1 1 d . . .
O11 O 0.9544(9) 0.4137(8) 0.0325(7) 0.0074(14) Uani 0.30 1 d PU . .
Cu3 Cu 0.5000 0.5000 1.0000 0.0264(2) Uani 1 2 d SD . .
O10 O 0.7771(8) 0.6449(7) 1.1402(6) 0.0313(10) Uani 0.50 1 d PDU A 1
H10A H 0.8265 0.5838 1.1875 0.047 Uiso 0.50 1 d PR A 1
H10B H 0.8464 0.6772 1.0919 0.047 Uiso 0.50 1 d PR A 1
O10' O 0.7848(8) 0.5972(7) 1.1103(6) 0.0313(10) Uani 0.50 1 d PDU A 2
H10C H 0.8041 0.6519 1.1768 0.047 Uiso 0.50 1 d PR A 2
H10D H 0.8806 0.5858 1.0864 0.047 Uiso 0.50 1 d PR A 2
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
O1 Cu1 O7 91.72(9) . .
O1 Cu1 O8 85.37(9) . .
O7 Cu1 O8 174.38(9) . .
O1 Cu1 N1 167.18(10) . .
O7 Cu1 N1 88.88(10) . .
O8 Cu1 N1 92.89(10) . .
O1 Cu1 O9 95.92(10) . .
O7 Cu1 O9 97.69(9) . .
O8 Cu1 O9 87.41(9) . .
N1 Cu1 O9 96.69(11) . .
O2 Cu2 O7 177.67(10) 2_676 .
O2 Cu2 O7 94.98(9) 2_676 2_676
O7 Cu2 O7 83.70(9) . 2_676
O2 Cu2 N2 91.60(10) 2_676 .
O7 Cu2 N2 88.04(10) . .
O7 Cu2 N2 136.03(10) 2_676 .
O2 Cu2 O4 91.35(10) 2_676 1_455
O7 Cu2 O4 90.97(9) . 1_455
O7 Cu2 O4 129.00(9) 2_676 1_455
N2 Cu2 O4 94.13(10) . 1_455
O2 Cu2 Cu2 136.32(7) 2_676 2_676
O7 Cu2 Cu2 42.33(6) . 2_676
O7 Cu2 Cu2 41.37(6) 2_676 2_676
N2 Cu2 Cu2 117.70(8) . 2_676
O4 Cu2 Cu2 115.96(6) 1_455 2_676
C9 O1 Cu1 138.3(2) . .
C9 O2 Cu2 128.1(2) . 2_676
C10 O4 Cu2 134.7(2) . 1_655
C11 O6 Cu3 131.9(2) . 1_654
Cu1 O7 Cu2 120.83(11) . .
Cu1 O7 Cu2 118.71(11) . 2_676
Cu2 O7 Cu2 96.30(9) . 2_676
Cu1 O7 H7' 106.6 . .
Cu2 O7 H7' 106.6 . .
Cu2 O7 H7' 106.6 2_676 .
Cu1 O8 H8A 119.8 . .
Cu1 O8 H8B 112.2 . .
H8A O8 H8B 105.2 . .
Cu1 O9 H9A 121.6 . .
Cu1 O9 H9B 115.2 . .
H9A O9 H9B 105.2 . .
C2 N1 N2 106.2(3) . .
C2 N1 Cu1 133.2(2) . .
N2 N1 Cu1 120.7(2) . .
C1 N2 N1 106.5(3) . .
C1 N2 Cu2 132.5(2) . .
N1 N2 Cu2 120.9(2) . .
C2 N3 C1 103.7(3) . .
C2 N3 Cu3 130.3(2) . .
C1 N3 Cu3 125.7(2) . .
N2 C1 N3 111.7(3) . .
N2 C1 H1 124.1 . .
N3 C1 H1 124.1 . .
N1 C2 N3 111.9(3) . .
N1 C2 H2 124.1 . .
N3 C2 H2 124.1 . .
C8 C3 C4 119.8(3) . .
C8 C3 C9 118.8(3) . .
C4 C3 C9 121.2(3) . .
C5 C4 C3 118.7(3) . .
C5 C4 C10 118.4(3) . .
C3 C4 C10 122.5(3) . .
C4 C5 C6 120.6(3) . .
C4 C5 C11 121.1(3) . .
C6 C5 C11 118.3(3) . .
C7 C6 C5 120.5(3) . .
C7 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
C6 C7 C8 119.6(3) . .
C6 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C7 C8 C3 120.8(3) . .
C7 C8 H8 119.6 . .
C3 C8 H8 119.6 . .
O2 C9 O1 126.7(3) . .
O2 C9 C3 116.7(3) . .
O1 C9 C3 116.6(3) . .
O3 C10 O4 124.6(3) . .
O3 C10 C4 115.5(3) . .
O4 C10 C4 119.9(3) . .
O5 C11 O6 126.0(3) . .
O5 C11 C5 119.4(3) . .
O6 C11 C5 114.6(3) . .
N3 Cu3 N3 179.999(1) 2_667 .
N3 Cu3 O6 87.46(10) 2_667 2_766
N3 Cu3 O6 92.54(10) . 2_766
N3 Cu3 O6 92.55(10) 2_667 1_456
N3 Cu3 O6 87.46(10) . 1_456
O6 Cu3 O6 179.999(1) 2_766 1_456
N3 Cu3 O10' 90.02(17) 2_667 .
N3 Cu3 O10' 89.98(17) . .
O6 Cu3 O10' 85.49(17) 2_766 .
O6 Cu3 O10' 94.51(17) 1_456 .
N3 Cu3 O10 89.33(17) 2_667 .
N3 Cu3 O10 90.67(17) . .
O6 Cu3 O10 95.97(16) 2_766 .
O6 Cu3 O10 84.03(16) 1_456 .
O10' Cu3 O10 10.5(2) . .
Cu3 O10 H10A 109.8 . .
Cu3 O10 H10B 109.8 . .
H10A O10 H10B 106.8 . .
Cu3 O10 H10C 145.6 . .
H10A O10 H10C 50.1 . .
H10B O10 H10C 103.4 . .
Cu3 O10 H10D 95.9 . .
H10A O10 H10D 69.9 . .
H10B O10 H10D 47.1 . .
H10C O10 H10D 100.2 . .
Cu3 O10' H10A 128.2 . .
Cu3 O10' H10B 127.3 . .
H10A O10' H10B 101.0 . .
Cu3 O10' H10C 127.4 . .
H10A O10' H10C 44.8 . .
H10B O10' H10C 72.9 . .
Cu3 O10' H10D 127.4 . .
H10A O10' H10D 89.4 . .
H10B O10' H10D 61.3 . .
H10C O10' H10D 105.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.950(2) .
Cu1 O7 1.957(2) .
Cu1 O8 1.973(2) .
Cu1 N1 1.976(3) .
Cu1 O9 2.254(2) .
Cu2 O2 1.919(2) 2_676
Cu2 O7 1.960(2) .
Cu2 O7 1.997(2) 2_676
Cu2 N2 2.003(3) .
Cu2 O4 2.163(2) 1_455
Cu2 Cu2 2.9469(8) 2_676
O1 C9 1.260(4) .
O2 C9 1.258(4) .
O2 Cu2 1.919(2) 2_676
O3 C10 1.249(4) .
O4 C10 1.270(4) .
O4 Cu2 2.163(2) 1_655
O5 C11 1.247(4) .
O6 C11 1.265(4) .
O6 Cu3 1.984(2) 1_654
O7 Cu2 1.996(2) 2_676
O7 H7' 0.9800 .
O8 H8A 0.8499 .
O8 H8B 0.8500 .
O9 H9A 0.8500 .
O9 H9B 0.8500 .
N1 C2 1.322(4) .
N1 N2 1.370(4) .
N2 C1 1.315(4) .
N3 C2 1.339(4) .
N3 C1 1.348(4) .
N3 Cu3 1.955(3) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C8 1.398(4) .
C3 C4 1.405(5) .
C3 C9 1.503(4) .
C4 C5 1.395(5) .
C4 C10 1.524(4) .
C5 C6 1.397(5) .
C5 C11 1.509(4) .
C6 C7 1.378(5) .
C6 H6 0.9300 .
C7 C8 1.385(5) .
C7 H7 0.9300 .
C8 H8 0.9300 .
Cu3 N3 1.955(3) 2_667
Cu3 O6 1.984(2) 2_766
Cu3 O6 1.984(2) 1_456
Cu3 O10' 2.550(6) .
Cu3 O10 2.777(6) .
O10 H10A 0.8433 .
O10 H10B 0.8432 .
O10 H10C 0.4282 .
O10 H10D 1.2066 .
O10' H10A 0.8719 .
O10' H10B 0.8831 .
O10' H10C 0.8499 .
O10' H10D 0.8502 .
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
O7 Cu1 O1 C9 8.1(3) . .
O8 Cu1 O1 C9 -167.1(3) . .
N1 Cu1 O1 C9 -84.4(6) . .
O9 Cu1 O1 C9 106.0(3) . .
O1 Cu1 O7 Cu2 -158.48(13) . .
O8 Cu1 O7 Cu2 -99.7(9) . .
N1 Cu1 O7 Cu2 8.72(13) . .
O9 Cu1 O7 Cu2 105.31(13) . .
O1 Cu1 O7 Cu2 -40.28(13) . 2_676
O8 Cu1 O7 Cu2 18.5(10) . 2_676
N1 Cu1 O7 Cu2 126.92(13) . 2_676
O9 Cu1 O7 Cu2 -136.49(12) . 2_676
O2 Cu2 O7 Cu1 73(2) 2_676 .
O7 Cu2 O7 Cu1 128.96(16) 2_676 .
N2 Cu2 O7 Cu1 -7.79(13) . .
O4 Cu2 O7 Cu1 -101.89(12) 1_455 .
Cu2 Cu2 O7 Cu1 128.96(16) 2_676 .
O2 Cu2 O7 Cu2 -56(2) 2_676 2_676
O7 Cu2 O7 Cu2 0.0 2_676 2_676
N2 Cu2 O7 Cu2 -136.74(11) . 2_676
O4 Cu2 O7 Cu2 129.15(9) 1_455 2_676
O1 Cu1 N1 C2 -93.3(5) . .
O7 Cu1 N1 C2 173.8(3) . .
O8 Cu1 N1 C2 -11.5(3) . .
O9 Cu1 N1 C2 76.2(3) . .
O1 Cu1 N1 N2 86.4(5) . .
O7 Cu1 N1 N2 -6.4(2) . .
O8 Cu1 N1 N2 168.2(2) . .
O9 Cu1 N1 N2 -104.0(2) . .
C2 N1 N2 C1 0.3(3) . .
Cu1 N1 N2 C1 -179.5(2) . .
C2 N1 N2 Cu2 -177.7(2) . .
Cu1 N1 N2 Cu2 2.5(3) . .
O2 Cu2 N2 C1 7.9(3) 2_676 .
O7 Cu2 N2 C1 -174.4(3) . .
O7 Cu2 N2 C1 106.8(3) 2_676 .
O4 Cu2 N2 C1 -83.6(3) 1_455 .
Cu2 Cu2 N2 C1 154.2(3) 2_676 .
O2 Cu2 N2 N1 -174.7(2) 2_676 .
O7 Cu2 N2 N1 3.0(2) . .
O7 Cu2 N2 N1 -75.8(3) 2_676 .
O4 Cu2 N2 N1 93.9(2) 1_455 .
Cu2 Cu2 N2 N1 -28.4(2) 2_676 .
N1 N2 C1 N3 -0.7(4) . .
Cu2 N2 C1 N3 177.0(2) . .
C2 N3 C1 N2 0.8(4) . .
Cu3 N3 C1 N2 -173.6(2) . .
N2 N1 C2 N3 0.2(4) . .
Cu1 N1 C2 N3 179.9(2) . .
C1 N3 C2 N1 -0.6(4) . .
Cu3 N3 C2 N1 173.5(2) . .
C8 C3 C4 C5 -3.1(5) . .
C9 C3 C4 C5 172.0(3) . .
C8 C3 C4 C10 -175.4(3) . .
C9 C3 C4 C10 -0.3(5) . .
C3 C4 C5 C6 2.6(5) . .
C10 C4 C5 C6 175.2(3) . .
C3 C4 C5 C11 -174.3(3) . .
C10 C4 C5 C11 -1.7(4) . .
C4 C5 C6 C7 0.3(5) . .
C11 C5 C6 C7 177.2(3) . .
C5 C6 C7 C8 -2.5(5) . .
C6 C7 C8 C3 2.0(5) . .
C4 C3 C8 C7 0.9(5) . .
C9 C3 C8 C7 -174.3(3) . .
Cu2 O2 C9 O1 9.5(5) 2_676 .
Cu2 O2 C9 C3 -171.3(2) 2_676 .
Cu1 O1 C9 O2 9.3(5) . .
Cu1 O1 C9 C3 -170.0(2) . .
C8 C3 C9 O2 1.6(4) . .
C4 C3 C9 O2 -173.5(3) . .
C8 C3 C9 O1 -179.0(3) . .
C4 C3 C9 O1 5.9(4) . .
Cu2 O4 C10 O3 173.9(2) 1_655 .
Cu2 O4 C10 C4 -3.0(4) 1_655 .
C5 C4 C10 O3 -77.3(4) . .
C3 C4 C10 O3 95.0(4) . .
C5 C4 C10 O4 99.8(3) . .
C3 C4 C10 O4 -87.9(4) . .
Cu3 O6 C11 O5 -0.7(5) 1_654 .
Cu3 O6 C11 C5 -179.9(2) 1_654 .
C4 C5 C11 O5 -56.9(4) . .
C6 C5 C11 O5 126.2(3) . .
C4 C5 C11 O6 122.4(3) . .
C6 C5 C11 O6 -54.5(4) . .
C2 N3 Cu3 N3 -81(14) . 2_667
C1 N3 Cu3 N3 91(14) . 2_667
C2 N3 Cu3 O6 -26.7(3) . 2_766
C1 N3 Cu3 O6 146.2(3) . 2_766
C2 N3 Cu3 O6 153.3(3) . 1_456
C1 N3 Cu3 O6 -33.8(3) . 1_456
C2 N3 Cu3 O10' 58.8(3) . .
C1 N3 Cu3 O10' -128.3(3) . .
C2 N3 Cu3 O10 69.4(3) . .
C1 N3 Cu3 O10 -117.8(3) . .
