#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:30:31 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179582 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/47/4504767.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_4504767
loop_
_publ_author_name
'Chen, Banglin'
'Fronczek, Frank R.'
'Courtney, Brandy H.'
'Zapata, Fatima'
_publ_section_title
;
 α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks
 Based on a Paddle-Wheel Building Block and Its Enlarged Dimer
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              825
_journal_paper_doi               10.1021/cg050585e
_journal_volume                  6
_journal_year                    2006
_chemical_compound_source        'local laboratory'
_chemical_formula_moiety         'C44 H50 Cu4 N2 O16'
_chemical_formula_sum            'C44 H50 Cu4 N2 O16'
_chemical_formula_weight         1117.02
_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                111.84(2)
_cell_angle_beta                 93.35(3)
_cell_angle_gamma                113.52(3)
_cell_formula_units_Z            1
_cell_length_a                   10.708(4)
_cell_length_b                   10.822(5)
_cell_length_c                   11.457(6)
_cell_measurement_reflns_used    4048
_cell_measurement_temperature    110
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.5
_cell_volume                     1096.1(10)
_computing_cell_refinement
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare  et al., 1999)'
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'KappaCCD (with Oxford Cryostream)'
_diffrn_measurement_method       ' ω scans with κ offsets'
_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  0.097
_diffrn_reflns_av_sigmaI/netI    0.1473
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16371
_diffrn_reflns_theta_full        26.0
_diffrn_reflns_theta_max         26.0
_diffrn_reflns_theta_min         3.2
_diffrn_standards_decay_%        <2
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.990
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.68
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.145
_refine_ls_R_factor_gt           0.063
_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)+(0.0321P)²+1.4330P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.097
_refine_ls_wR_factor_ref         0.119
_reflns_number_gt                2326
_reflns_number_total             4260
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cg050585esi20051105_115026.cif
_cod_data_source_block           2
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1          '
_cod_database_code               4504767
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
Cu1 Cu 0.31755(7) 0.31014(8) 0.64041(7) 0.0138(2) Uani 1 1 d .
Cu2 Cu 0.35246(8) 0.41880(9) 0.89201(7) 0.0151(2) Uani 1 1 d .
O1 O 0.3599(4) 0.5146(5) 0.6667(4) 0.0184(11) Uani 1 1 d .
O2 O 0.3780(4) 0.6032(4) 0.8807(4) 0.0165(10) Uani 1 1 d .
O3 O 0.2830(5) 0.1228(4) 0.6487(4) 0.0209(11) Uani 1 1 d .
O4 O 0.3189(4) 0.2176(5) 0.8652(4) 0.0184(11) Uani 1 1 d .
O5 O 0.1227(4) 0.2729(5) 0.6538(4) 0.0188(11) Uani 1 1 d .
O6 O 0.1517(4) 0.3596(5) 0.8688(4) 0.0181(11) Uani 1 1 d .
O7 O 0.5207(4) 0.3660(5) 0.6784(4) 0.0173(10) Uani 1 1 d .
O8 O 0.5539(4) 0.4720(5) 0.8955(4) 0.0150(11) Uani 1 1 d .
N1 N 0.2553(5) 0.2165(6) 0.4327(5) 0.0163(13) Uani 1 1 d .
C1 C 0.3745(6) 0.6156(7) 0.7760(6) 0.0118(14) Uani 1 1 d .
C2 C 0.3874(6) 0.7623(7) 0.7807(6) 0.0140(15) Uani 1 1 d .
H2 H 0.4891 0.8358 0.8160 0.017 Uiso 1 1 calc R
C3 C 0.3086(7) 0.8252(7) 0.8730(6) 0.0177(16) Uani 1 1 d .
H3A H 0.3432 0.8367 0.9603 0.021 Uiso 1 1 calc R
H3B H 0.2075 0.7535 0.8428 0.021 Uiso 1 1 calc R
C4 C 0.3268(7) -0.0235(7) 0.8822(6) 0.0205(16) Uani 1 1 d .
H4A H 0.2704 0.0107 0.9398 0.025 Uiso 1 1 calc R
H4B H 0.4266 0.0511 0.9208 0.025 Uiso 1 1 calc R
C5 C 0.2810(7) -0.0341(7) 0.7499(7) 0.0180(16) Uani 1 1 d .
H5 H 0.1789 -0.1066 0.7158 0.022 Uiso 1 1 calc R
C6 C 0.3588(7) -0.0975(7) 0.6556(6) 0.0215(17) Uani 1 1 d .
H6A H 0.3216 -0.1109 0.5682 0.026 Uiso 1 1 calc R
H6B H 0.4597 -0.0253 0.6839 0.026 Uiso 1 1 calc R
C7 C 0.3429(7) 0.7547(7) 0.6483(6) 0.0232(17) Uani 1 1 d .
H7A H 0.4004 0.7217 0.5914 0.028 Uiso 1 1 calc R
H7B H 0.2435 0.6790 0.6085 0.028 Uiso 1 1 calc R
C8 C 0.2961(6) 0.1135(7) 0.7554(7) 0.0168(15) Uani 1 1 d .
C9 C 0.0788(6) 0.3084(7) 0.7539(6) 0.0125(15) Uani 1 1 d .
C10 C -0.0672(6) 0.2994(7) 0.7383(6) 0.0155(15) Uani 1 1 d .
H10 H -0.1290 0.2079 0.6574 0.019 Uiso 1 1 calc R
C11 C -0.1360(6) 0.2892(7) 0.8488(6) 0.0160(15) Uani 1 1 d .
H11A H -0.1504 0.1958 0.8548 0.019 Uiso 1 1 calc R
H11B H -0.0733 0.3744 0.9315 0.019 Uiso 1 1 calc R
C12 C 0.7239(6) 0.2914(7) 0.8278(6) 0.0150(15) Uani 1 1 d .
H12A H 0.6836 0.2899 0.9031 0.018 Uiso 1 1 calc R
H12B H 0.6583 0.2004 0.7499 0.018 Uiso 1 1 calc R
C13 C 0.7383(6) 0.4316(7) 0.8100(6) 0.0115(14) Uani 1 1 d .
H13 H 0.8014 0.5231 0.8904 0.014 Uiso 1 1 calc R
C14 C 0.8045(7) 0.4354(8) 0.6955(6) 0.0203(16) Uani 1 1 d .
H14A H 0.8176 0.5266 0.6856 0.024 Uiso 1 1 calc R
H14B H 0.7406 0.3476 0.6147 0.024 Uiso 1 1 calc R
C15 C -0.0530(6) 0.4343(7) 0.7168(6) 0.0201(16) Uani 1 1 d .
H15A H -0.0141 0.4325 0.6402 0.024 Uiso 1 1 calc R
H15B H 0.0134 0.5268 0.7931 0.024 Uiso 1 1 calc R
C16 C 0.5951(7) 0.4238(7) 0.7917(7) 0.0194(17) Uani 1 1 d .
C17 C 0.1295(6) 0.0916(7) 0.3726(6) 0.0157(15) Uani 1 1 d .
H17 H 0.0853 0.0395 0.4211 0.019 Uiso 1 1 calc R
C18 C 0.0640(6) 0.0378(7) 0.2455(6) 0.0171(15) Uani 1 1 d .
H18 H -0.0248 -0.0482 0.2088 0.020 Uiso 1 1 calc R
C19 C 0.1272(6) 0.1089(7) 0.1692(6) 0.0145(14) Uani 1 1 d .
C20 C 0.2580(6) 0.2332(7) 0.2293(6) 0.0169(15) Uani 1 1 d .
H20 H 0.3068 0.2836 0.1812 0.020 Uiso 1 1 calc R
C21 C 0.3172(6) 0.2835(7) 0.3589(6) 0.0154(15) Uani 1 1 d .
H21 H 0.4058 0.3695 0.3979 0.019 Uiso 1 1 calc R
C22 C 0.0608(6) 0.0616(7) 0.0360(6) 0.0165(16) Uani 1 1 d .
H22 H 0.1074 0.1231 -0.0047 0.020 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 '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'
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
O3 Cu1 O1 169.58(18) . .
O3 Cu1 O7 87.57(19) . .
O1 Cu1 O7 90.76(19) . .
O3 Cu1 O5 89.98(19) . .
O1 Cu1 O5 88.89(19) . .
O7 Cu1 O5 164.52(18) . .
O3 Cu1 N1 95.8(2) . .
O1 Cu1 N1 94.63(19) . .
O7 Cu1 N1 104.11(19) . .
O5 Cu1 N1 91.3(2) . .
O3 Cu1 Cu2 85.28(13) . .
O1 Cu1 Cu2 84.33(13) . .
O7 Cu1 Cu2 84.99(13) . .
O5 Cu1 Cu2 79.58(13) . .
N1 Cu1 Cu2 170.87(14) . .
O6 Cu2 O4 90.63(18) . .
O6 Cu2 O2 88.46(18) . .
O4 Cu2 O2 168.47(19) . .
O6 Cu2 O8 173.93(18) . .
O4 Cu2 O8 89.22(18) . .
O2 Cu2 O8 90.48(18) . .
O6 Cu2 O8 107.03(17) . 2_667
O4 Cu2 O8 96.12(18) . 2_667
O2 Cu2 O8 95.14(17) . 2_667
O8 Cu2 O8 79.02(19) . 2_667
O6 Cu2 Cu1 89.45(14) . .
O4 Cu2 Cu1 83.84(14) . .
O2 Cu2 Cu1 84.66(13) . .
O8 Cu2 Cu1 84.50(13) . .
O8 Cu2 Cu1 163.52(11) 2_667 .
C1 O1 Cu1 122.5(4) . .
C1 O2 Cu2 123.1(4) . .
C8 O3 Cu1 122.2(4) . .
C8 O4 Cu2 123.7(4) . .
C9 O5 Cu1 128.3(4) . .
C9 O6 Cu2 117.7(4) . .
C16 O7 Cu1 123.0(4) . .
C16 O8 Cu2 122.0(4) . .
C16 O8 Cu2 136.0(4) . 2_667
Cu2 O8 Cu2 100.98(18) . 2_667
C21 N1 C17 116.5(5) . .
C21 N1 Cu1 125.4(4) . .
C17 N1 Cu1 117.0(4) . .
O2 C1 O1 125.0(6) . .
O2 C1 C2 117.4(6) . .
O1 C1 C2 117.6(5) . .
C1 C2 C3 112.2(5) . .
C1 C2 C7 114.0(5) . .
C3 C2 C7 109.8(5) . .
C1 C2 H2 106.8 . .
C3 C2 H2 106.8 . .
C7 C2 H2 106.8 . .
C2 C3 C4 112.2(5) . 1_565
C2 C3 H3A 109.2 . .
C4 C3 H3A 109.2 1_565 .
C2 C3 H3B 109.2 . .
C4 C3 H3B 109.2 1_565 .
H3A C3 H3B 107.9 . .
C5 C4 C3 111.1(5) . 1_545
C5 C4 H4A 109.4 . .
C3 C4 H4A 109.4 1_545 .
C5 C4 H4B 109.4 . .
C3 C4 H4B 109.4 1_545 .
H4A C4 H4B 108.0 . .
C4 C5 C8 112.6(6) . .
C4 C5 C6 110.8(6) . .
C8 C5 C6 111.5(5) . .
C4 C5 H5 107.2 . .
C8 C5 H5 107.2 . .
C6 C5 H5 107.2 . .
C7 C6 C5 111.9(5) 1_545 .
C7 C6 H6A 109.2 1_545 .
C5 C6 H6A 109.2 . .
C7 C6 H6B 109.2 1_545 .
C5 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
C6 C7 C2 112.8(6) 1_565 .
C6 C7 H7A 109.0 1_565 .
C2 C7 H7A 109.0 . .
C6 C7 H7B 109.0 1_565 .
C2 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
O4 C8 O3 124.7(6) . .
O4 C8 C5 118.1(6) . .
O3 C8 C5 117.2(6) . .
O5 C9 O6 124.1(6) . .
O5 C9 C10 117.6(6) . .
O6 C9 C10 118.2(6) . .
C11 C10 C15 112.1(5) . .
C11 C10 C9 115.3(5) . .
C15 C10 C9 106.2(5) . .
C11 C10 H10 107.6 . .
C15 C10 H10 107.6 . .
C9 C10 H10 107.6 . .
C12 C11 C10 110.8(5) 1_455 .
C12 C11 H11A 109.5 1_455 .
C10 C11 H11A 109.5 . .
C12 C11 H11B 109.5 1_455 .
C10 C11 H11B 109.5 . .
H11A C11 H11B 108.1 . .
C11 C12 C13 112.0(5) 1_655 .
C11 C12 H12A 109.2 1_655 .
C13 C12 H12A 109.2 . .
C11 C12 H12B 109.2 1_655 .
C13 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
C16 C13 C14 113.4(5) . .
C16 C13 C12 107.7(5) . .
C14 C13 C12 108.9(5) . .
C16 C13 H13 108.9 . .
C14 C13 H13 108.9 . .
C12 C13 H13 108.9 . .
C13 C14 C15 110.8(5) . 1_655
C13 C14 H14A 109.5 . .
C15 C14 H14A 109.5 1_655 .
C13 C14 H14B 109.5 . .
C15 C14 H14B 109.5 1_655 .
H14A C14 H14B 108.1 . .
C10 C15 C14 111.3(5) . 1_455
C10 C15 H15A 109.4 . .
C14 C15 H15A 109.4 1_455 .
C10 C15 H15B 109.4 . .
C14 C15 H15B 109.4 1_455 .
H15A C15 H15B 108.0 . .
O7 C16 O8 124.1(6) . .
O7 C16 C13 119.2(6) . .
O8 C16 C13 116.6(6) . .
N1 C17 C18 123.1(5) . .
N1 C17 H17 118.5 . .
C18 C17 H17 118.5 . .
C17 C18 C19 120.4(5) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C20 C19 C18 116.5(6) . .
C20 C19 C22 120.3(5) . .
C18 C19 C22 123.1(5) . .
C21 C20 C19 120.1(5) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
N1 C21 C20 123.3(5) . .
N1 C21 H21 118.4 . .
C20 C21 H21 118.4 . .
C22 C22 C19 126.3(7) 2 .
C22 C22 H22 116.8 2 .
C19 C22 H22 116.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.951(4) .
Cu1 O1 1.970(4) .
Cu1 O7 1.982(4) .
Cu1 O5 1.988(4) .
Cu1 N1 2.148(5) .
Cu1 Cu2 2.6140(18) .
Cu2 O6 1.952(4) .
Cu2 O4 1.957(4) .
Cu2 O2 1.958(4) .
Cu2 O8 1.991(4) .
Cu2 O8 2.227(4) 2_667
O1 C1 1.269(7) .
O2 C1 1.256(7) .
O3 C8 1.268(7) .
O4 C8 1.266(7) .
O5 C9 1.250(7) .
O6 C9 1.281(7) .
O7 C16 1.260(8) .
O8 C16 1.290(7) .
O8 Cu2 2.227(4) 2_667
N1 C21 1.347(7) .
N1 C17 1.365(7) .
C1 C2 1.517(9) .
C2 C3 1.523(8) .
C2 C7 1.525(9) .
C2 H2 1.0000 .
C3 C4 1.531(8) 1_565
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.514(9) .
C4 C3 1.531(8) 1_545
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C8 1.516(9) .
C5 C6 1.530(9) .
C5 H5 1.0000 .
C6 C7 1.509(9) 1_545
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C6 1.509(9) 1_565
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C9 C10 1.522(9) .
C10 C11 1.518(8) .
C10 C15 1.520(9) .
C10 H10 1.0000 .
C11 C12 1.517(8) 1_455
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C11 1.517(8) 1_655
C12 C13 1.554(8) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C16 1.500(9) .
C13 C14 1.533(8) .
C13 H13 1.0000 .
C14 C15 1.538(9) 1_655
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C14 1.538(9) 1_455
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C17 C18 1.369(8) .
C17 H17 0.9500 .
C18 C19 1.403(8) .
C18 H18 0.9500 .
C19 C20 1.393(8) .
C19 C22 1.448(8) .
C20 C21 1.385(8) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C22 1.351(11) 2
C22 H22 0.9500 .
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
O3 Cu1 Cu2 O6 -88.98(19) . .
O1 Cu1 Cu2 O6 91.78(19) . .
O7 Cu1 Cu2 O6 -176.95(19) . .
O5 Cu1 Cu2 O6 1.87(19) . .
N1 Cu1 Cu2 O6 7.9(9) . .
O3 Cu1 Cu2 O4 1.71(19) . .
O1 Cu1 Cu2 O4 -177.5(2) . .
O7 Cu1 Cu2 O4 -86.26(18) . .
O5 Cu1 Cu2 O4 92.56(18) . .
N1 Cu1 Cu2 O4 98.6(9) . .
O3 Cu1 Cu2 O2 -177.5(2) . .
O1 Cu1 Cu2 O2 3.28(18) . .
O7 Cu1 Cu2 O2 94.55(18) . .
O5 Cu1 Cu2 O2 -86.63(18) . .
N1 Cu1 Cu2 O2 -80.6(9) . .
O3 Cu1 Cu2 O8 91.51(19) . .
O1 Cu1 Cu2 O8 -87.72(19) . .
O7 Cu1 Cu2 O8 3.55(19) . .
O5 Cu1 Cu2 O8 -177.6(2) . .
N1 Cu1 Cu2 O8 -171.6(9) . .
O3 Cu1 Cu2 O8 92.5(4) . 2_667
O1 Cu1 Cu2 O8 -86.8(4) . 2_667
O7 Cu1 Cu2 O8 4.5(4) . 2_667
O5 Cu1 Cu2 O8 -176.7(4) . 2_667
N1 Cu1 Cu2 O8 -170.7(11) . 2_667
O3 Cu1 O1 C1 -10.5(13) . .
O7 Cu1 O1 C1 -91.2(5) . .
O5 Cu1 O1 C1 73.4(4) . .
N1 Cu1 O1 C1 164.6(4) . .
Cu2 Cu1 O1 C1 -6.3(4) . .
O6 Cu2 O2 C1 -91.1(5) . .
O4 Cu2 O2 C1 -5.6(11) . .
O8 Cu2 O2 C1 82.9(5) . .
O8 Cu2 O2 C1 161.9(4) 2_667 .
Cu1 Cu2 O2 C1 -1.5(4) . .
O1 Cu1 O3 C8 -0.6(13) . .
O7 Cu1 O3 C8 80.3(5) . .
O5 Cu1 O3 C8 -84.4(5) . .
N1 Cu1 O3 C8 -175.7(5) . .
Cu2 Cu1 O3 C8 -4.8(5) . .
O6 Cu2 O4 C8 90.2(5) . .
O2 Cu2 O4 C8 4.9(11) . .
O8 Cu2 O4 C8 -83.7(5) . .
O8 Cu2 O4 C8 -162.6(4) 2_667 .
Cu1 Cu2 O4 C8 0.8(4) . .
O3 Cu1 O5 C9 88.3(5) . .
O1 Cu1 O5 C9 -81.4(5) . .
O7 Cu1 O5 C9 7.5(11) . .
N1 Cu1 O5 C9 -176.0(5) . .
Cu2 Cu1 O5 C9 3.1(5) . .
O4 Cu2 O6 C9 -90.7(4) . .
O2 Cu2 O6 C9 77.8(4) . .
O8 Cu2 O6 C9 -2(2) . .
O8 Cu2 O6 C9 172.7(4) 2_667 .
Cu1 Cu2 O6 C9 -6.9(4) . .
O3 Cu1 O7 C16 -83.9(5) . .
O1 Cu1 O7 C16 85.9(5) . .
O5 Cu1 O7 C16 -2.7(10) . .
N1 Cu1 O7 C16 -179.2(5) . .
Cu2 Cu1 O7 C16 1.6(5) . .
O6 Cu2 O8 C16 -15(2) . .
O4 Cu2 O8 C16 74.0(5) . .
O2 Cu2 O8 C16 -94.5(5) . .
O8 Cu2 O8 C16 170.4(6) 2_667 .
Cu1 Cu2 O8 C16 -9.9(5) . .
O6 Cu2 O8 Cu2 175.1(17) . 2_667
O4 Cu2 O8 Cu2 -96.38(19) . 2_667
O2 Cu2 O8 Cu2 95.14(19) . 2_667
O8 Cu2 O8 Cu2 0.0 2_667 2_667
Cu1 Cu2 O8 Cu2 179.73(15) . 2_667
O3 Cu1 N1 C21 -142.2(5) . .
O1 Cu1 N1 C21 38.7(5) . .
O7 Cu1 N1 C21 -53.3(5) . .
O5 Cu1 N1 C21 127.7(5) . .
Cu2 Cu1 N1 C21 121.8(8) . .
O3 Cu1 N1 C17 49.7(5) . .
O1 Cu1 N1 C17 -129.4(5) . .
O7 Cu1 N1 C17 138.6(4) . .
O5 Cu1 N1 C17 -40.4(5) . .
Cu2 Cu1 N1 C17 -46.3(12) . .
Cu2 O2 C1 O1 -2.9(8) . .
Cu2 O2 C1 C2 176.4(4) . .
Cu1 O1 C1 O2 7.4(8) . .
Cu1 O1 C1 C2 -171.9(4) . .
O2 C1 C2 C3 -38.6(8) . .
O1 C1 C2 C3 140.7(5) . .
O2 C1 C2 C7 -164.2(5) . .
O1 C1 C2 C7 15.2(8) . .
C1 C2 C3 C4 177.5(5) . 1_565
C7 C2 C3 C4 -54.7(7) . 1_565
C3 C4 C5 C8 179.4(5) 1_545 .
C3 C4 C5 C6 -55.0(7) 1_545 .
C4 C5 C6 C7 54.4(7) . 1_545
C8 C5 C6 C7 -179.4(5) . 1_545
C1 C2 C7 C6 -179.1(5) . 1_565
C3 C2 C7 C6 54.0(7) . 1_565
Cu2 O4 C8 O3 -4.9(8) . .
Cu2 O4 C8 C5 176.2(4) . .
Cu1 O3 C8 O4 7.2(8) . .
Cu1 O3 C8 C5 -173.9(4) . .
C4 C5 C8 O4 -12.5(8) . .
C6 C5 C8 O4 -137.7(6) . .
C4 C5 C8 O3 168.6(5) . .
C6 C5 C8 O3 43.3(8) . .
Cu1 O5 C9 O6 -9.8(9) . .
Cu1 O5 C9 C10 166.1(4) . .
Cu2 O6 C9 O5 11.3(8) . .
Cu2 O6 C9 C10 -164.6(4) . .
O5 C9 C10 C11 159.3(5) . .
O6 C9 C10 C11 -24.5(8) . .
O5 C9 C10 C15 -75.9(7) . .
O6 C9 C10 C15 100.3(6) . .
C15 C10 C11 C12 54.5(7) . 1_455
C9 C10 C11 C12 176.2(5) . 1_455
C11 C12 C13 C16 -179.3(5) 1_655 .
C11 C12 C13 C14 57.4(7) 1_655 .
C16 C13 C14 C15 -176.7(5) . 1_655
C12 C13 C14 C15 -56.9(6) . 1_655
C11 C10 C15 C14 -55.0(7) . 1_455
C9 C10 C15 C14 178.3(5) . 1_455
Cu1 O7 C16 O8 -10.0(9) . .
Cu1 O7 C16 C13 166.8(4) . .
Cu2 O8 C16 O7 14.8(8) . .
Cu2 O8 C16 O7 -178.9(4) 2_667 .
Cu2 O8 C16 C13 -162.1(4) . .
Cu2 O8 C16 C13 4.2(9) 2_667 .
C14 C13 C16 O7 26.6(8) . .
C12 C13 C16 O7 -93.9(7) . .
C14 C13 C16 O8 -156.4(5) . .
C12 C13 C16 O8 83.1(7) . .
C21 N1 C17 C18 -2.6(9) . .
Cu1 N1 C17 C18 166.6(5) . .
N1 C17 C18 C19 1.6(10) . .
C17 C18 C19 C20 0.7(10) . .
C17 C18 C19 C22 -177.3(6) . .
C18 C19 C20 C21 -2.0(10) . .
C22 C19 C20 C21 176.1(6) . .
C17 N1 C21 C20 1.3(9) . .
Cu1 N1 C21 C20 -166.9(5) . .
C19 C20 C21 N1 1.0(10) . .
C20 C19 C22 C22 175.5(8) . 2
C18 C19 C22 C22 -6.5(13) . 2
