#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:08:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178770 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/24/4102461.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_4102461
loop_
_publ_author_name
'Honghan Fei'
'David L. Rogow'
'Scott R. J. Oliver'
_publ_section_title
;
 Reversible Anion Exchange and Catalytic Properties of Two Cationic
 Metal-Organic Frameworks Based on Cu(I) and Ag(I)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7202
_journal_page_last               7209
_journal_paper_doi               10.1021/ja102134c
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C22 H26 Cu2 N4 O9 S2'
_chemical_formula_weight         681.71
_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                103.6150(10)
_cell_angle_beta                 102.272(2)
_cell_angle_gamma                97.5290(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9031(9)
_cell_length_b                   10.9120(11)
_cell_length_c                   14.4304(15)
_cell_measurement_reflns_used    5408
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9116
_cell_measurement_theta_min      2.6003
_cell_volume                     1307.0(2)
_computing_cell_refinement       'Bruker SAINT v7.56A'
_computing_data_collection       'Bruker APEX2 v2009.7.0'
_computing_data_reduction        'Bruker SAINT v7.56A'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Si-<111> channel cut crystal'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14355
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.9906
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    1.846
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6934
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5316
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0371
_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)+(0.0514P)²+1.3488P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                4301
_reflns_number_total             5316
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja102134c_si_002.cif
_cod_data_source_block           ucsc007
_cod_database_code               4102461
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
Cu3 Cu 0.35051(5) 0.25821(3) 0.37287(3) 0.02654(12) Uani 1 1 d .
Cu4 Cu 0.16833(5) 0.17350(3) 0.12325(3) 0.02934(12) Uani 1 1 d .
S5 S -0.03944(9) 0.18900(7) 0.36447(6) 0.02408(17) Uani 1 1 d .
S7 S -0.43886(9) 0.24229(7) 0.15505(5) 0.02397(17) Uani 1 1 d .
O2 O 0.0684(2) 0.2081(2) 0.30348(16) 0.0282(5) Uani 1 1 d .
O3 O -0.5032(3) 0.1630(2) 0.05490(16) 0.0339(5) Uani 1 1 d .
O4 O -0.5496(2) 0.2329(2) 0.21613(15) 0.0278(5) Uani 1 1 d .
O5 O -0.3732(3) 0.3739(2) 0.16117(19) 0.0380(6) Uani 1 1 d .
O6 O 0.0203(3) 0.2690(2) 0.46598(16) 0.0312(5) Uani 1 1 d .
O7 O -0.0930(3) 0.0551(2) 0.35788(18) 0.0377(6) Uani 1 1 d .
N5 N 0.3615(3) 0.0871(2) 0.38046(18) 0.0221(5) Uani 1 1 d .
N6 N 0.3662(3) 0.4397(2) 0.38885(18) 0.0248(5) Uani 1 1 d .
N7 N 0.1584(3) 0.3453(2) 0.11667(19) 0.0255(5) Uani 1 1 d .
N8 N 0.1459(3) -0.0059(2) 0.10949(18) 0.0251(5) Uani 1 1 d .
C1 C -0.2072(4) 0.2477(3) 0.3142(2) 0.0264(6) Uani 1 1 d .
H1A H -0.2850 0.2373 0.3511 0.032 Uiso 1 1 calc R
H1B H -0.1776 0.3386 0.3205 0.032 Uiso 1 1 calc R
C2 C -0.2780(3) 0.1767(3) 0.2062(2) 0.0257(6) Uani 1 1 d .
H2A H -0.3133 0.0866 0.2002 0.031 Uiso 1 1 calc R
H2B H -0.1987 0.1830 0.1698 0.031 Uiso 1 1 calc R
C31 C 0.4748(4) 0.5062(3) 0.3579(2) 0.0276(7) Uani 1 1 d .
H31A H 0.5499 0.4647 0.3349 0.033 Uiso 1 1 calc R
C32 C 0.4791(4) 0.6331(3) 0.3588(2) 0.0270(6) Uani 1 1 d .
H32A H 0.5575 0.6761 0.3381 0.032 Uiso 1 1 calc R
C33 C 0.3660(3) 0.6972(3) 0.3908(2) 0.0203(6) Uani 1 1 d .
C34 C 0.2563(4) 0.6288(3) 0.4254(2) 0.0231(6) Uani 1 1 d .
H34A H 0.1806 0.6681 0.4494 0.028 Uiso 1 1 calc R
C35 C 0.2611(4) 0.5018(3) 0.4238(2) 0.0244(6) Uani 1 1 d .
H35A H 0.1884 0.4579 0.4481 0.029 Uiso 1 1 calc R
C36 C 0.3625(3) 0.8314(3) 0.3870(2) 0.0207(6) Uani 1 1 d .
C37 C 0.2970(3) 0.0380(3) 0.4436(2) 0.0246(6) Uani 1 1 d .
H37C H 0.2521 0.0911 0.4858 0.037 Uiso 1 1 calc R
C38 C 0.4260(3) 0.0074(3) 0.3202(2) 0.0237(6) Uani 1 1 d .
H38C H 0.4699 0.0388 0.2754 0.036 Uiso 1 1 calc R
C39 C 0.4298(3) 0.8818(3) 0.3218(2) 0.0219(6) Uani 1 1 d .
H39C H 0.4771 0.8311 0.2796 0.033 Uiso 1 1 calc R
C40 C 0.2942(3) 0.9130(3) 0.4487(2) 0.0225(6) Uani 1 1 d .
H40C H 0.2470 0.8833 0.4929 0.034 Uiso 1 1 calc R
C41 C 0.2327(4) 0.3991(3) 0.0598(2) 0.0320(7) Uani 1 1 d .
H41A H 0.2888 0.3503 0.0230 0.038 Uiso 1 1 calc R
C42 C 0.0788(4) 0.4170(3) 0.1684(2) 0.0297(7) Uani 1 1 d .
H42A H 0.0260 0.3809 0.2076 0.036 Uiso 1 1 calc R
C43 C 0.2392(4) -0.0741(3) 0.0652(2) 0.0278(7) Uani 1 1 d .
H43A H 0.3062 -0.0335 0.0355 0.033 Uiso 1 1 calc R
C44 C 0.0453(4) -0.0693(3) 0.1479(2) 0.0302(7) Uani 1 1 d .
H44A H -0.0244 -0.0257 0.1756 0.036 Uiso 1 1 calc R
C45 C 0.1474(3) -0.4007(3) 0.1084(2) 0.0207(6) Uani 1 1 d .
C46 C 0.1415(3) -0.2663(3) 0.1055(2) 0.0214(6) Uani 1 1 d .
C47 C 0.2401(4) -0.2020(3) 0.0619(2) 0.0273(7) Uani 1 1 d .
H47A H 0.3066 -0.2451 0.0304 0.033 Uiso 1 1 calc R
C48 C 0.0413(4) -0.1968(3) 0.1478(2) 0.0284(7) Uani 1 1 d .
H48A H -0.0288 -0.2361 0.1763 0.034 Uiso 1 1 calc R
C49 C 0.0703(4) 0.5424(3) 0.1672(2) 0.0287(7) Uani 1 1 d .
H49A H 0.0135 0.5887 0.2052 0.043 Uiso 1 1 calc R
C50 C 0.2297(4) 0.5231(3) 0.0536(2) 0.0292(7) Uani 1 1 d .
H50A H 0.2825 0.5559 0.0130 0.044 Uiso 1 1 calc R
O21 O 0.6966(4) 0.6359(2) 0.1793(2) 0.0570(8) Uani 1 1 d .
O23 O 0.1297(4) 0.2094(2) 0.64446(19) 0.0552(8) Uani 1 1 d .
O25 O 0.6341(4) 0.8612(3) 0.1430(2) 0.0645(9) Uani 1 1 d .
H211 H 0.6729 0.5576 0.1807 0.050 Uiso 1 1 d .
H212 H 0.7623 0.6367 0.1436 0.050 Uiso 1 1 d .
H231 H 0.1251 0.1297 0.6437 0.050 Uiso 1 1 d .
H232 H 0.0876 0.2086 0.5845 0.050 Uiso 1 1 d .
H251 H 0.5562 0.8558 0.1691 0.050 Uiso 1 1 d .
H252 H 0.5943 0.8565 0.0819 0.050 Uiso 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'
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'
S S 0.1246 0.1234 '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
N5 Cu3 N6 169.40(11) . .
N5 Cu3 O2 93.58(9) . .
N6 Cu3 O2 94.31(9) . .
N5 Cu3 O4 94.50(9) . 1_655
N6 Cu3 O4 90.89(9) . 1_655
O2 Cu3 O4 101.24(7) . 1_655
N5 Cu3 Cu4 95.71(7) . .
N6 Cu3 Cu4 94.60(8) . .
O2 Cu3 Cu4 55.19(5) . .
O4 Cu3 Cu4 46.06(5) 1_655 .
N8 Cu4 N7 169.48(11) . .
N8 Cu4 O4 96.83(9) . 1_655
N7 Cu4 O4 92.92(9) . 1_655
N8 Cu4 Cu3 94.21(8) . .
N7 Cu4 Cu3 95.27(8) . .
O4 Cu4 Cu3 47.73(5) 1_655 .
O7 S5 O2 113.66(14) . .
O7 S5 O6 113.02(14) . .
O2 S5 O6 112.33(13) . .
O7 S5 C1 106.62(15) . .
O2 S5 C1 104.78(13) . .
O6 S5 C1 105.54(13) . .
O3 S7 O5 113.36(14) . .
O3 S7 O4 111.92(13) . .
O5 S7 O4 113.22(14) . .
O3 S7 C2 106.28(14) . .
O5 S7 C2 105.53(14) . .
O4 S7 C2 105.75(13) . .
S5 O2 Cu3 121.10(12) . .
S7 O4 Cu4 114.78(12) . 1_455
S7 O4 Cu3 158.54(13) . 1_455
Cu4 O4 Cu3 86.21(6) 1_455 1_455
C37 N5 C38 116.8(2) . .
C37 N5 Cu3 120.79(19) . .
C38 N5 Cu3 122.33(19) . .
C35 N6 C31 117.9(2) . .
C35 N6 Cu3 120.76(19) . .
C31 N6 Cu3 121.1(2) . .
C42 N7 C41 117.2(2) . .
C42 N7 Cu4 121.5(2) . .
C41 N7 Cu4 121.3(2) . .
C43 N8 C44 116.8(2) . .
C43 N8 Cu4 120.3(2) . .
C44 N8 Cu4 122.7(2) . .
C2 C1 S5 111.4(2) . .
C2 C1 H1A 109.3 . .
S5 C1 H1A 109.3 . .
C2 C1 H1B 109.3 . .
S5 C1 H1B 109.3 . .
H1A C1 H1B 108.0 . .
C1 C2 S7 110.9(2) . .
C1 C2 H2A 109.5 . .
S7 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
S7 C2 H2B 109.5 . .
H2A C2 H2B 108.0 . .
N6 C31 C32 122.7(3) . .
N6 C31 H31A 118.7 . .
C32 C31 H31A 118.7 . .
C31 C32 C33 120.0(3) . .
C31 C32 H32A 120.0 . .
C33 C32 H32A 120.0 . .
C32 C33 C34 117.0(2) . .
C32 C33 C36 121.0(3) . .
C34 C33 C36 122.0(2) . .
C35 C34 C33 119.6(3) . .
C35 C34 H34A 120.2 . .
C33 C34 H34A 120.2 . .
N6 C35 C34 122.7(3) . .
N6 C35 H35A 118.6 . .
C34 C35 H35A 118.6 . .
C39 C36 C40 117.2(2) . .
C39 C36 C33 120.8(2) . .
C40 C36 C33 122.0(2) . .
N5 C37 C40 123.4(3) . 1_545
N5 C37 H37C 118.3 . .
C40 C37 H37C 118.3 1_545 .
N5 C38 C39 123.3(3) . 1_545
N5 C38 H38C 118.3 . .
C39 C38 H38C 118.3 1_545 .
C38 C39 C36 119.6(3) 1_565 .
C38 C39 H39C 120.2 1_565 .
C36 C39 H39C 120.2 . .
C37 C40 C36 119.7(3) 1_565 .
C37 C40 H40C 120.2 1_565 .
C36 C40 H40C 120.2 . .
N7 C41 C50 123.2(3) . .
N7 C41 H41A 118.4 . .
C50 C41 H41A 118.4 . .
N7 C42 C49 123.6(3) . .
N7 C42 H42A 118.2 . .
C49 C42 H42A 118.2 . .
N8 C43 C47 123.1(3) . .
N8 C43 H43A 118.4 . .
C47 C43 H43A 118.4 . .
N8 C44 C48 122.8(3) . .
N8 C44 H44A 118.6 . .
C48 C44 H44A 118.6 . .
C50 C45 C49 116.5(3) 1_545 1_545
C50 C45 C46 122.3(3) 1_545 .
C49 C45 C46 121.2(3) 1_545 .
C48 C46 C47 116.5(3) . .
C48 C46 C45 122.4(3) . .
C47 C46 C45 121.2(3) . .
C43 C47 C46 120.2(3) . .
C43 C47 H47A 119.9 . .
C46 C47 H47A 119.9 . .
C44 C48 C46 120.4(3) . .
C44 C48 H48A 119.8 . .
C46 C48 H48A 119.8 . .
C42 C49 C45 119.7(3) . 1_565
C42 C49 H49A 120.2 . .
C45 C49 H49A 120.2 1_565 .
C41 C50 C45 119.9(3) . 1_565
C41 C50 H50A 120.0 . .
C45 C50 H50A 120.0 1_565 .
H211 O21 H212 106.1(3) . .
H231 O23 H232 105.3(3) . .
H251 O25 H252 105.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu3 N5 1.910(2) .
Cu3 N6 1.922(2) .
Cu3 O2 2.434(2) .
Cu3 O4 2.571(2) 1_655
Cu3 Cu4 3.4665(6) .
Cu4 N8 1.900(2) .
Cu4 N7 1.912(2) .
Cu4 O4 2.501(2) 1_655
S5 O7 1.451(2) .
S5 O2 1.461(2) .
S5 O6 1.461(2) .
S5 C1 1.782(3) .
S7 O3 1.447(2) .
S7 O5 1.453(2) .
S7 O4 1.464(2) .
S7 C2 1.782(3) .
O4 Cu4 2.501(2) 1_455
O4 Cu3 2.571(2) 1_455
N5 C37 1.348(4) .
N5 C38 1.352(4) .
N6 C35 1.339(4) .
N6 C31 1.347(4) .
N7 C42 1.329(4) .
N7 C41 1.345(4) .
N8 C43 1.348(4) .
N8 C44 1.348(4) .
C1 C2 1.520(4) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C31 C32 1.377(4) .
C31 H31A 0.9300 .
C32 C33 1.396(4) .
C32 H32A 0.9300 .
C33 C34 1.397(4) .
C33 C36 1.482(4) .
C34 C35 1.387(4) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C36 C39 1.394(4) .
C36 C40 1.399(4) .
C37 C40 1.380(4) 1_545
C37 H37C 0.9300 .
C38 C39 1.381(4) 1_545
C38 H38C 0.9300 .
C39 C38 1.381(4) 1_565
C39 H39C 0.9300 .
C40 C37 1.380(4) 1_565
C40 H40C 0.9300 .
C41 C50 1.381(4) .
C41 H41A 0.9300 .
C42 C49 1.385(4) .
C42 H42A 0.9300 .
C43 C47 1.386(4) .
C43 H43A 0.9300 .
C44 C48 1.386(4) .
C44 H44A 0.9300 .
C45 C50 1.396(4) 1_545
C45 C49 1.399(4) 1_545
C45 C46 1.485(4) .
C46 C48 1.391(4) .
C46 C47 1.392(4) .
C47 H47A 0.9300 .
C48 H48A 0.9300 .
C49 C45 1.399(4) 1_565
C49 H49A 0.9300 .
C50 C45 1.396(4) 1_565
C50 H50A 0.9300 .
O21 H211 0.859(2) .
O21 H212 0.858(3) .
O23 H231 0.862(2) .
O23 H232 0.865(3) .
O25 H251 0.859(3) .
O25 H252 0.864(3) .
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
N5 Cu3 Cu4 N8 4.65(10) . .
N6 Cu3 Cu4 N8 -177.80(11) . .
O2 Cu3 Cu4 N8 -85.74(10) . .
O4 Cu3 Cu4 N8 95.40(10) 1_655 .
N5 Cu3 Cu4 N7 -179.91(11) . .
N6 Cu3 Cu4 N7 -2.36(11) . .
O2 Cu3 Cu4 N7 89.70(10) . .
O4 Cu3 Cu4 N7 -89.17(10) 1_655 .
N5 Cu3 Cu4 O4 -90.74(10) . 1_655
N6 Cu3 Cu4 O4 86.80(10) . 1_655
O2 Cu3 Cu4 O4 178.87(9) . 1_655
O7 S5 O2 Cu3 -96.95(16) . .
O6 S5 O2 Cu3 32.96(17) . .
C1 S5 O2 Cu3 147.04(14) . .
N5 Cu3 O2 S5 74.27(15) . .
N6 Cu3 O2 S5 -98.65(15) . .
O4 Cu3 O2 S5 169.57(13) 1_655 .
Cu4 Cu3 O2 S5 168.74(16) . .
O3 S7 O4 Cu4 -25.99(16) . 1_455
O5 S7 O4 Cu4 103.64(15) . 1_455
C2 S7 O4 Cu4 -141.30(13) . 1_455
O3 S7 O4 Cu3 166.7(3) . 1_455
O5 S7 O4 Cu3 -63.6(4) . 1_455
C2 S7 O4 Cu3 51.4(4) . 1_455
N6 Cu3 N5 C37 70.3(6) . .
O2 Cu3 N5 C37 -67.7(2) . .
O4 Cu3 N5 C37 -169.3(2) 1_655 .
Cu4 Cu3 N5 C37 -123.1(2) . .
N6 Cu3 N5 C38 -113.2(6) . .
O2 Cu3 N5 C38 108.7(2) . .
O4 Cu3 N5 C38 7.1(2) 1_655 .
Cu4 Cu3 N5 C38 53.4(2) . .
N5 Cu3 N6 C35 -95.2(6) . .
O2 Cu3 N6 C35 42.8(2) . .
O4 Cu3 N6 C35 144.1(2) 1_655 .
Cu4 Cu3 N6 C35 98.2(2) . .
N5 Cu3 N6 C31 90.3(6) . .
O2 Cu3 N6 C31 -131.7(2) . .
O4 Cu3 N6 C31 -30.4(2) 1_655 .
Cu4 Cu3 N6 C31 -76.3(2) . .
N8 Cu4 N7 C42 92.7(6) . .
O4 Cu4 N7 C42 -109.4(2) 1_655 .
Cu3 Cu4 N7 C42 -61.6(2) . .
N8 Cu4 N7 C41 -87.7(6) . .
O4 Cu4 N7 C41 70.2(3) 1_655 .
Cu3 Cu4 N7 C41 118.0(2) . .
N7 Cu4 N8 C43 100.5(6) . .
O4 Cu4 N8 C43 -57.3(2) 1_655 .
Cu3 Cu4 N8 C43 -105.2(2) . .
N7 Cu4 N8 C44 -83.7(7) . .
O4 Cu4 N8 C44 118.4(3) 1_655 .
Cu3 Cu4 N8 C44 70.5(3) . .
O7 S5 C1 C2 -62.2(2) . .
O2 S5 C1 C2 58.6(2) . .
O6 S5 C1 C2 177.4(2) . .
S5 C1 C2 S7 -176.73(15) . .
O3 S7 C2 C1 -176.4(2) . .
O5 S7 C2 C1 63.0(2) . .
O4 S7 C2 C1 -57.3(2) . .
C35 N6 C31 C32 -1.5(5) . .
Cu3 N6 C31 C32 173.1(2) . .
N6 C31 C32 C33 -1.4(5) . .
C31 C32 C33 C34 3.1(4) . .
C31 C32 C33 C36 -176.4(3) . .
C32 C33 C34 C35 -1.9(4) . .
C36 C33 C34 C35 177.5(3) . .
C31 N6 C35 C34 2.7(5) . .
Cu3 N6 C35 C34 -172.0(2) . .
C33 C34 C35 N6 -1.0(5) . .
C32 C33 C36 C39 23.3(4) . .
C34 C33 C36 C39 -156.1(3) . .
C32 C33 C36 C40 -155.9(3) . .
C34 C33 C36 C40 24.7(4) . .
C38 N5 C37 C40 -0.1(4) . 1_545
Cu3 N5 C37 C40 176.5(2) . 1_545
C37 N5 C38 C39 -0.9(4) . 1_545
Cu3 N5 C38 C39 -177.4(2) . 1_545
C40 C36 C39 C38 -0.3(4) . 1_565
C33 C36 C39 C38 -179.6(3) . 1_565
C39 C36 C40 C37 -0.6(4) . 1_565
C33 C36 C40 C37 178.7(3) . 1_565
C42 N7 C41 C50 0.2(5) . .
Cu4 N7 C41 C50 -179.4(3) . .
C41 N7 C42 C49 -0.6(5) . .
Cu4 N7 C42 C49 179.0(3) . .
C44 N8 C43 C47 -2.9(5) . .
Cu4 N8 C43 C47 173.1(2) . .
C43 N8 C44 C48 3.5(5) . .
Cu4 N8 C44 C48 -172.4(3) . .
C50 C45 C46 C48 170.1(3) 1_545 .
C49 C45 C46 C48 -10.1(4) 1_545 .
C50 C45 C46 C47 -11.6(4) 1_545 .
C49 C45 C46 C47 168.2(3) 1_545 .
N8 C43 C47 C46 0.0(5) . .
C48 C46 C47 C43 2.4(5) . .
C45 C46 C47 C43 -176.1(3) . .
N8 C44 C48 C46 -1.2(5) . .
C47 C46 C48 C44 -1.8(5) . .
C45 C46 C48 C44 176.6(3) . .
N7 C42 C49 C45 0.5(5) . 1_565
N7 C41 C50 C45 0.4(5) . 1_565
