#------------------------------------------------------------------------------
#$Date: 2020-07-29 04:40:02 +0300 (Wed, 29 Jul 2020) $
#$Revision: 254637 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/09/7240962.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_7240962
loop_
_publ_author_name
'Xu, Tingting'
'Fan, Lihui'
'Zhou, Ping'
'Jiang, Zhenzhen'
'Chen, Haonan'
'Lu, Huangyan'
'He, Yabing'
_publ_section_title
;
 Construction and selective gas adsorption properties of two heteroSBU
 MOFs based on unsymmetrical tetracarboxylate linkers
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE01014F
_journal_year                    2020
_chemical_formula_moiety         '[Cu10(L)4(OH)2Cl(H2O)10]Cl?11DMA?H2O'
_chemical_formula_sum            'C108 H147 Cl2 Cu10 N11 O56'
_chemical_formula_weight         3201.66
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-C 2 2'
_space_group_name_H-M_alt        'C m m m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-13 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.5456(16)
_cell_length_b                   44.633(3)
_cell_length_c                   26.5717(16)
_cell_measurement_reflns_used    82562
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     31482(3)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1045
_diffrn_reflns_av_unetI/netI     0.0754
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            82562
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.032
_diffrn_reflns_theta_max         25.032
_diffrn_reflns_theta_min         2.194
_exptl_absorpt_coefficient_mu    1.436
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_description       block
_exptl_crystal_F_000             13152
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.368
_refine_diff_density_min         -1.116
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         14419
_refine_ls_number_restraints     408
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.1389
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²+95.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1571
_refine_ls_wR_factor_ref         0.1891
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6560
_reflns_number_total             14419
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01014f2.cif
_cod_data_source_block           ZJNU-10
_cod_database_code               7240962
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.870
_shelx_estimated_absorpt_t_max   0.870
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.5000 0.22442(4) 0.28227(7) 0.0397(5) Uani 1 2 d S TU P . .
Cl1 Cl 0.5000 0.0000 0.2751(3) 0.187(5) Uani 1 4 d S T P . .
O1 O 0.5000 0.1886(2) 0.3382(4) 0.072(4) Uani 1 2 d S T P . .
Cu2 Cu 0.5000 0.26931(3) 0.21672(7) 0.0400(5) Uani 1 2 d S TU P . .
Cl2 Cl 0.7612 0.5000 0.4758 0.081 Uani 0.25 1 d S U P A -1
O2 O 0.5000 0.30412(19) 0.1630(4) 0.062(3) Uani 1 2 d S T P . .
Cu3 Cu 0.21654(7) 0.22814(4) 0.0000 0.0408(5) Uani 1 2 d S TU P . .
O3 O 0.1657(5) 0.1883(3) 0.0000 0.092(4) Uani 1 2 d S T P . .
O4 O 0.5000 0.0707(2) 0.2953(5) 0.100(4) Uani 1 2 d S TU P . .
Cu4 Cu 0.27423(10) 0.0000 0.28130(10) 0.0802(6) Uani 1 2 d S TU P . .
Cu5 Cu 0.5000 0.05047(4) 0.23059(9) 0.0742(6) Uani 1 2 d S TU P . .
O5 O 0.4437(7) 0.0000 0.0761(6) 0.149(7) Uani 1 2 d S T P . .
O6 O 0.5000 -0.02888(19) 0.1653(4) 0.075(3) Uani 1 2 d S TU P . .
Cu6 Cu 0.44361(8) 0.0000 0.16601(9) 0.0801(7) Uani 1 2 d S TU P . .
Cu7 Cu 0.78192(7) 0.27251(4) 0.5000 0.0488(5) Uani 1 2 d S TU P . .
Cu9 Cu 0.65860(9) 0.5000 0.44336(8) 0.0765(7) Uani 1 2 d S TU P . .
O9 O 0.6621(4) 0.4712(2) 0.5000 0.076(2) Uani 1 2 d S TU P A .
Cu10 Cu 0.70441(9) 0.5000 0.20847(10) 0.0688(5) Uani 1 2 d S TU P . .
O11 O 0.6491(6) 0.5000 0.1464(5) 0.120(4) Uani 1 2 d S T P . .
O12 O 0.8337(5) 0.3120(3) 0.5000 0.092(5) Uani 1 2 d S T P . .
O13 O 0.5716(4) 0.5000 0.4484(5) 0.099(4) Uani 1 2 d S T P . .
O14 O 0.3192(5) 0.0000 0.3512(5) 0.141(6) Uani 1 2 d S TU P . .
Cu8 Cu 0.72443(8) 0.45014(4) 0.5000 0.0741(6) Uani 1 2 d S TU P . .
O8 O 0.7907(4) 0.4286(3) 0.5000 0.101(4) Uani 1 2 d S T P A .
C1_1 C 0.3974(5) 0.0566(2) 0.1953(5) 0.080(3) Uani 1 1 d . U . . .
C2_1 C 0.3554(4) 0.0778(2) 0.1812(5) 0.082(3) Uani 1 1 d . U . . .
C3_1 C 0.3684(4) 0.1078(2) 0.1708(5) 0.078(3) Uani 1 1 d . U . . .
H3_1 H 0.4029 0.1135 0.1713 0.094 Uiso 1 1 calc R U . . .
C4_1 C 0.3323(4) 0.12913(18) 0.1599(5) 0.075(2) Uani 1 1 d . U . . .
C5_1 C 0.2831(5) 0.1212(2) 0.1562(5) 0.093(3) Uani 1 1 d . U . . .
H5_1 H 0.2585 0.1355 0.1464 0.112 Uiso 1 1 calc R U . . .
C6_1 C 0.2687(5) 0.0913(2) 0.1673(5) 0.095(3) Uani 1 1 d . U . . .
H6_1 H 0.2343 0.0856 0.1655 0.114 Uiso 1 1 calc R U . . .
C7_1 C 0.3055(5) 0.07016(19) 0.1807(5) 0.089(3) Uani 1 1 d . U . . .
C8_1 C 0.2864(5) 0.0407(2) 0.2019(6) 0.091(3) Uani 1 1 d . U . . .
C9_1 C 0.3452(4) 0.16061(15) 0.1495(4) 0.062(2) Uani 1 1 d . U . . .
C10_1 C 0.3183(4) 0.1771(2) 0.1147(4) 0.057(2) Uani 1 1 d . U . . .
H10_1 H 0.2920 0.1676 0.0963 0.069 Uiso 1 1 calc R U . . .
C11_1 C 0.3285(4) 0.2068(2) 0.1059(4) 0.051(2) Uani 1 1 d . U . . .
C12_1 C 0.3690(4) 0.22041(15) 0.1316(4) 0.054(2) Uani 1 1 d . U . . .
H12_1 H 0.3784 0.2404 0.1238 0.065 Uiso 1 1 calc R U . . .
C13_1 C 0.3945(4) 0.2050(2) 0.1670(4) 0.052(2) Uani 1 1 d . U . . .
C14_1 C 0.3843(4) 0.1748(2) 0.1759(4) 0.059(3) Uani 1 1 d . U . . .
H14_1 H 0.4037 0.1639 0.1996 0.071 Uiso 1 1 calc R U . . .
C15_1 C 0.4345(4) 0.2206(2) 0.1968(4) 0.050(2) Uani 1 1 d . U . . .
C16_1 C 0.2980(4) 0.2228(2) 0.0677(4) 0.051(2) Uani 1 1 d . U . . .
O1_1 O 0.4303(3) 0.06384(14) 0.2224(3) 0.078(2) Uani 1 1 d . U . . .
O2_1 O 0.3925(3) 0.03175(14) 0.1715(3) 0.094(2) Uani 1 1 d . U . . .
O3_1 O 0.3061(4) 0.03083(16) 0.2429(4) 0.094(2) Uani 1 1 d . U . . .
O4_1 O 0.2466(3) 0.03068(18) 0.1797(4) 0.092(3) Uani 1 1 d . U . . .
O5_1 O 0.4499(3) 0.20742(14) 0.2369(3) 0.0564(18) Uani 1 1 d . U . . .
O6_1 O 0.4487(3) 0.24482(14) 0.1818(3) 0.0535(18) Uani 1 1 d . U . . .
O7_1 O 0.2601(3) 0.21150(15) 0.0517(3) 0.0547(18) Uani 1 1 d . U . . .
O8_1 O 0.3161(3) 0.24897(16) 0.0524(3) 0.058(2) Uani 1 1 d . U . . .
C1_2 C 0.6925(5) 0.4587(2) 0.2869(4) 0.076(3) Uani 1 1 d . U . . .
C2_2 C 0.6732(5) 0.4287(2) 0.3055(4) 0.086(3) Uani 1 1 d . U . . .
C3_2 C 0.6604(5) 0.4079(2) 0.2679(5) 0.095(3) Uani 1 1 d . U . . .
H3_2 H 0.6575 0.4136 0.2336 0.114 Uiso 1 1 calc R U . . .
C4_2 C 0.6522(5) 0.3781(2) 0.2833(5) 0.090(3) Uani 1 1 d . U . . .
H4_2 H 0.6449 0.3633 0.2587 0.108 Uiso 1 1 calc R U . . .
C5_2 C 0.6545(5) 0.36956(17) 0.3350(4) 0.078(2) Uani 1 1 d . U . . .
C6_2 C 0.6656(5) 0.39048(19) 0.3708(4) 0.083(3) Uani 1 1 d . U . . .
H6_2 H 0.6663 0.3851 0.4054 0.100 Uiso 1 1 calc R U . . .
C7_2 C 0.6761(5) 0.4202(2) 0.3560(4) 0.080(3) Uani 1 1 d . U . . .
C8_2 C 0.6835(5) 0.4436(2) 0.3970(5) 0.082(3) Uani 1 1 d . U . . .
C9_2 C 0.6469(3) 0.33688(7) 0.3486(3) 0.064(2) Uani 1 1 d G U . . .
C10_2 C 0.6106(3) 0.32077(13) 0.3223(3) 0.060(2) Uani 1 1 d G U . . .
H10_2 H 0.5908 0.3304 0.2973 0.072 Uiso 1 1 calc R U . . .
C11_2 C 0.6033(3) 0.29054(13) 0.3326(3) 0.054(2) Uani 1 1 d G U . . .
C12_2 C 0.6323(3) 0.27643(7) 0.3691(3) 0.055(2) Uani 1 1 d G U . . .
H12_2 H 0.6273 0.2558 0.3762 0.066 Uiso 1 1 calc R U . . .
C13_2 C 0.6686(3) 0.29254(15) 0.3954(3) 0.056(2) Uani 1 1 d G U . . .
C14_2 C 0.6759(3) 0.32277(14) 0.3851(3) 0.060(3) Uani 1 1 d G U . . .
H14_2 H 0.7007 0.3338 0.4031 0.072 Uiso 1 1 calc R U . . .
C15_2 C 0.5643(4) 0.2736(2) 0.3025(5) 0.050(2) Uani 1 1 d . U . . .
C16_2 C 0.7006(5) 0.2773(2) 0.4328(4) 0.054(2) Uani 1 1 d . U . . .
O1_2 O 0.6712(4) 0.46855(17) 0.2502(3) 0.090(2) Uani 1 1 d . U . . .
O2_2 O 0.7307(3) 0.46876(16) 0.3077(3) 0.080(2) Uani 1 1 d . U . . .
O3_2 O 0.6604(3) 0.46822(14) 0.3939(3) 0.083(2) Uani 1 1 d . U . . .
O4_2 O 0.7139(3) 0.43557(15) 0.4315(3) 0.083(2) Uani 1 1 d . U . . .
O5_2 O 0.5496(3) 0.28612(15) 0.2615(3) 0.064(2) Uani 1 1 d . U . . .
O6_2 O 0.5515(3) 0.24924(15) 0.3174(3) 0.0565(18) Uani 1 1 d . U . . .
O7_2 O 0.6855(3) 0.24977(16) 0.4474(3) 0.061(2) Uani 1 1 d . U . . .
O8_2 O 0.7382(3) 0.29047(16) 0.4485(3) 0.0618(19) Uani 1 1 d . U . . .
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'
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'
Cl Cl 0.1484 0.1585 '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'
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
_geom_angle_publ_flag
O5_1 Cu1 O5_1 86.1(5) . 12_655 ?
O5_1 Cu1 O6_2 92.2(3) . 12_655 ?
O5_1 Cu1 O6_2 167.1(3) 12_655 12_655 ?
O5_1 Cu1 O6_2 167.1(3) . . ?
O5_1 Cu1 O6_2 92.2(3) 12_655 . ?
O6_2 Cu1 O6_2 86.7(5) 12_655 . ?
O5_1 Cu1 O1 97.8(3) . . ?
O5_1 Cu1 O1 97.8(3) 12_655 . ?
O6_2 Cu1 O1 95.1(3) 12_655 . ?
O6_2 Cu1 O1 95.1(3) . . ?
O5_1 Cu1 Cu2 83.6(2) . . ?
O5_1 Cu1 Cu2 83.6(2) 12_655 . ?
O6_2 Cu1 Cu2 83.6(2) 12_655 . ?
O6_2 Cu1 Cu2 83.6(2) . . ?
O1 Cu1 Cu2 178.1(3) . . ?
Cu5 Cl1 Cu5 124.5(3) 2_655 . ?
O5_2 Cu2 O5_2 86.3(5) . 12_655 ?
O5_2 Cu2 O6_1 91.9(3) . 12_655 ?
O5_2 Cu2 O6_1 167.3(3) 12_655 12_655 ?
O5_2 Cu2 O6_1 167.3(3) . . ?
O5_2 Cu2 O6_1 91.9(3) 12_655 . ?
O6_1 Cu2 O6_1 87.0(4) 12_655 . ?
O5_2 Cu2 O2 97.5(3) . . ?
O5_2 Cu2 O2 97.5(3) 12_655 . ?
O6_1 Cu2 O2 95.1(3) 12_655 . ?
O6_1 Cu2 O2 95.1(3) . . ?
O5_2 Cu2 Cu1 83.6(2) . . ?
O5_2 Cu2 Cu1 83.6(2) 12_655 . ?
O6_1 Cu2 Cu1 83.7(2) 12_655 . ?
O6_1 Cu2 Cu1 83.7(2) . . ?
O2 Cu2 Cu1 178.4(3) . . ?
O8_1 Cu3 O8_1 92.2(5) 6 13 ?
O8_1 Cu3 O7_1 87.7(3) 6 . ?
O8_1 Cu3 O7_1 168.1(3) 13 . ?
O8_1 Cu3 O7_1 168.1(3) 6 10 ?
O8_1 Cu3 O7_1 87.7(3) 13 10 ?
O7_1 Cu3 O7_1 89.9(5) . 10 ?
O8_1 Cu3 O3 98.6(3) 6 . ?
O8_1 Cu3 O3 98.6(3) 13 . ?
O7_1 Cu3 O3 93.2(3) . . ?
O7_1 Cu3 O3 93.2(3) 10 . ?
O8_1 Cu3 Cu3 84.9(2) 6 13 ?
O8_1 Cu3 Cu3 84.9(2) 13 13 ?
O7_1 Cu3 Cu3 83.2(2) . 13 ?
O7_1 Cu3 Cu3 83.2(2) 10 13 ?
O3 Cu3 Cu3 174.8(4) . 13 ?
O3_1 Cu4 O3_1 92.2(6) 11 . ?
O3_1 Cu4 O2_2 86.5(3) 11 5_445 ?
O3_1 Cu4 O2_2 166.7(3) . 5_445 ?
O3_1 Cu4 O2_2 166.7(3) 11 15_455 ?
O3_1 Cu4 O2_2 86.5(3) . 15_455 ?
O2_2 Cu4 O2_2 91.8(5) 5_445 15_455 ?
O3_1 Cu4 O14 102.1(4) 11 . ?
O3_1 Cu4 O14 102.1(4) . . ?
O2_2 Cu4 O14 91.1(4) 5_445 . ?
O2_2 Cu4 O14 91.1(4) 15_455 . ?
O3_1 Cu4 Cu10 85.4(3) 11 5_445 ?
O3_1 Cu4 Cu10 85.4(3) . 5_445 ?
O2_2 Cu4 Cu10 81.3(2) 5_445 5_445 ?
O2_2 Cu4 Cu10 81.3(2) 15_455 5_445 ?
O14 Cu4 Cu10 169.0(5) . 5_445 ?
O4 Cu5 O1_1 87.5(3) . . ?
O4 Cu5 O1_1 87.5(3) . 12_655 ?
O1_1 Cu5 O1_1 142.1(4) . 12_655 ?
O4 Cu5 O6 178.7(4) . 2_655 ?
O1_1 Cu5 O6 92.9(3) . 2_655 ?
O1_1 Cu5 O6 92.9(3) 12_655 2_655 ?
O4 Cu5 Cl1 90.0(4) . . ?
O1_1 Cu5 Cl1 108.8(2) . . ?
O1_1 Cu5 Cl1 108.8(2) 12_655 . ?
O6 Cu5 Cl1 88.7(3) 2_655 . ?
Cu6 O6 Cu6 98.5(4) 2_655 . ?
Cu6 O6 Cu5 107.9(4) 2_655 2_655 ?
Cu6 O6 Cu5 107.9(4) . 2_655 ?
O2_1 Cu6 O2_1 92.2(4) . 11 ?
O2_1 Cu6 O6 173.4(3) . . ?
O2_1 Cu6 O6 93.0(3) 11 . ?
O2_1 Cu6 O6 93.0(3) . 2_655 ?
O2_1 Cu6 O6 173.4(3) 11 2_655 ?
O6 Cu6 O6 81.5(4) . 2_655 ?
O2_1 Cu6 O5 94.3(4) . . ?
O2_1 Cu6 O5 94.3(4) 11 . ?
O6 Cu6 O5 89.4(5) . . ?
O6 Cu6 O5 89.4(5) 2_655 . ?
O2_1 Cu6 Cu6 133.6(2) . 2_655 ?
O2_1 Cu6 Cu6 133.6(2) 11 2_655 ?
O6 Cu6 Cu6 40.73(19) . 2_655 ?
O6 Cu6 Cu6 40.73(19) 2_655 2_655 ?
O5 Cu6 Cu6 89.9(4) . 2_655 ?
O7_2 Cu7 O7_2 93.4(5) 6_655 13_656 ?
O7_2 Cu7 O8_2 88.2(3) 6_655 . ?
O7_2 Cu7 O8_2 169.6(3) 13_656 . ?
O7_2 Cu7 O8_2 169.6(3) 6_655 10_556 ?
O7_2 Cu7 O8_2 88.2(3) 13_656 10_556 ?
O8_2 Cu7 O8_2 88.3(5) . 10_556 ?
O7_2 Cu7 O12 97.6(3) 6_655 . ?
O7_2 Cu7 O12 97.6(3) 13_656 . ?
O8_2 Cu7 O12 92.4(3) . . ?
O8_2 Cu7 O12 92.4(3) 10_556 . ?
O7_2 Cu7 Cu7 83.9(2) 6_655 13_656 ?
O7_2 Cu7 Cu7 83.9(2) 13_656 13_656 ?
O8_2 Cu7 Cu7 86.0(2) . 13_656 ?
O8_2 Cu7 Cu7 86.0(2) 10_556 13_656 ?
O12 Cu7 Cu7 177.8(4) . 13_656 ?
O3_2 Cu9 O3_2 94.4(4) 11_565 . ?
O3_2 Cu9 O9 172.1(3) 11_565 . ?
O3_2 Cu9 O9 92.2(3) . . ?
O3_2 Cu9 O9 92.2(3) 11_565 11_565 ?
O3_2 Cu9 O9 172.1(3) . 11_565 ?
O9 Cu9 O9 80.9(4) . 11_565 ?
O3_2 Cu9 O13 93.7(3) 11_565 . ?
O3_2 Cu9 O13 93.7(3) . . ?
O9 Cu9 O13 90.2(4) . . ?
O9 Cu9 O13 90.2(4) 11_565 . ?
O3_2 Cu9 Cu9 132.8(2) 11_565 10_556 ?
O3_2 Cu9 Cu9 132.8(2) . 10_556 ?
O9 Cu9 Cu9 40.6(2) . 10_556 ?
O9 Cu9 Cu9 40.6(2) 11_565 10_556 ?
O13 Cu9 Cu9 86.7(3) . 10_556 ?
Cu8 O9 Cu9 111.2(4) . 10_556 ?
Cu8 O9 Cu9 111.2(4) . . ?
Cu9 O9 Cu9 98.8(4) 10_556 . ?
O4_1 Cu10 O4_1 90.6(6) 5 15 ?
O4_1 Cu10 O1_2 167.8(3) 5 . ?
O4_1 Cu10 O1_2 88.7(3) 15 . ?
O4_1 Cu10 O1_2 88.7(3) 5 11_565 ?
O4_1 Cu10 O1_2 167.8(3) 15 11_565 ?
O1_2 Cu10 O1_2 89.5(5) . 11_565 ?
O4_1 Cu10 O11 95.2(4) 5 . ?
O4_1 Cu10 O11 95.2(4) 15 . ?
O1_2 Cu10 O11 97.0(4) . . ?
O1_2 Cu10 O11 97.0(4) 11_565 . ?
O4_1 Cu10 Cu4 83.4(3) 5 5 ?
O4_1 Cu10 Cu4 83.4(3) 15 5 ?
O1_2 Cu10 Cu4 84.5(3) . 5 ?
O1_2 Cu10 Cu4 84.5(3) 11_565 5 ?
O11 Cu10 Cu4 177.9(5) . 5 ?
O9 Cu8 O4_2 92.3(3) . 10_556 ?
O9 Cu8 O4_2 92.3(3) . . ?
O4_2 Cu8 O4_2 137.5(4) 10_556 . ?
O9 Cu8 O8 179.1(5) . . ?
O4_2 Cu8 O8 88.0(3) 10_556 . ?
O4_2 Cu8 O8 88.0(3) . . ?
O9 Cu8 Cl2 84.3(3) . . ?
O4_2 Cu8 Cl2 126.1(2) 10_556 . ?
O4_2 Cu8 Cl2 96.4(2) . . ?
O8 Cu8 Cl2 94.8(4) . . ?
O1_1 C1_1 O2_1 127.7(11) . . ?
O1_1 C1_1 C2_1 121.9(10) . . ?
O2_1 C1_1 C2_1 110.3(11) . . ?
C7_1 C2_1 C3_1 118.1(10) . . ?
C7_1 C2_1 C1_1 124.2(9) . . ?
C3_1 C2_1 C1_1 117.6(10) . . ?
C4_1 C3_1 C2_1 121.7(10) . . ?
C4_1 C3_1 H3_1 119.2 . . ?
C2_1 C3_1 H3_1 119.2 . . ?
C5_1 C4_1 C3_1 120.2(9) . . ?
C5_1 C4_1 C9_1 117.4(10) . . ?
C3_1 C4_1 C9_1 122.3(10) . . ?
C4_1 C5_1 C6_1 119.3(11) . . ?
C4_1 C5_1 H5_1 120.3 . . ?
C6_1 C5_1 H5_1 120.3 . . ?
C7_1 C6_1 C5_1 119.9(11) . . ?
C7_1 C6_1 H6_1 120.1 . . ?
C5_1 C6_1 H6_1 120.1 . . ?
C2_1 C7_1 C6_1 120.6(9) . . ?
C2_1 C7_1 C8_1 122.3(11) . . ?
C6_1 C7_1 C8_1 116.5(11) . . ?
O3_1 C8_1 O4_1 126.9(10) . . ?
O3_1 C8_1 C7_1 118.5(12) . . ?
O4_1 C8_1 C7_1 113.7(13) . . ?
C10_1 C9_1 C14_1 118.5(7) . . ?
C10_1 C9_1 C4_1 120.8(11) . . ?
C14_1 C9_1 C4_1 120.7(10) . . ?
C11_1 C10_1 C9_1 121.6(9) . . ?
C11_1 C10_1 H10_1 119.2 . . ?
C9_1 C10_1 H10_1 119.2 . . ?
C10_1 C11_1 C12_1 118.9(9) . . ?
C10_1 C11_1 C16_1 118.3(9) . . ?
C12_1 C11_1 C16_1 122.7(9) . . ?
C13_1 C12_1 C11_1 120.0(6) . . ?
C13_1 C12_1 H12_1 120.0 . . ?
C11_1 C12_1 H12_1 120.0 . . ?
C12_1 C13_1 C14_1 120.9(9) . . ?
C12_1 C13_1 C15_1 119.2(9) . . ?
C14_1 C13_1 C15_1 119.9(9) . . ?
C13_1 C14_1 C9_1 119.8(9) . . ?
C13_1 C14_1 H14_1 120.1 . . ?
C9_1 C14_1 H14_1 120.1 . . ?
O6_1 C15_1 O5_1 125.6(11) . . ?
O6_1 C15_1 C13_1 117.5(10) . . ?
O5_1 C15_1 C13_1 116.9(9) . . ?
O7_1 C16_1 O8_1 124.3(11) . . ?
O7_1 C16_1 C11_1 119.7(9) . . ?
O8_1 C16_1 C11_1 115.9(10) . . ?
C1_1 O1_1 Cu5 133.4(8) . . ?
C1_1 O2_1 Cu6 126.2(8) . . ?
C8_1 O3_1 Cu4 121.4(8) . . ?
C8_1 O4_1 Cu10 122.7(9) . 5_445 ?
C15_1 O5_1 Cu1 123.5(6) . . ?
C15_1 O6_1 Cu2 123.6(7) . . ?
C16_1 O7_1 Cu3 125.9(7) . . ?
C16_1 O8_1 Cu3 121.6(7) . 13 ?
O1_2 C1_2 O2_2 127.4(11) . . ?
O1_2 C1_2 C2_2 115.4(11) . . ?
O2_2 C1_2 C2_2 116.9(10) . . ?
C7_2 C2_2 C3_2 121.2(9) . . ?
C7_2 C2_2 C1_2 122.3(9) . . ?
C3_2 C2_2 C1_2 115.6(10) . . ?
C4_2 C3_2 C2_2 116.9(11) . . ?
C4_2 C3_2 H3_2 121.5 . . ?
C2_2 C3_2 H3_2 121.5 . . ?
C3_2 C4_2 C5_2 121.8(10) . . ?
C3_2 C4_2 H4_2 119.1 . . ?
C5_2 C4_2 H4_2 119.1 . . ?
C6_2 C5_2 C4_2 119.8(8) . . ?
C6_2 C5_2 C9_2 121.4(10) . . ?
C4_2 C5_2 C9_2 118.8(8) . . ?
C5_2 C6_2 C7_2 119.4(10) . . ?
C5_2 C6_2 H6_2 120.3 . . ?
C7_2 C6_2 H6_2 120.3 . . ?
C2_2 C7_2 C6_2 120.8(9) . . ?
C2_2 C7_2 C8_2 120.7(9) . . ?
C6_2 C7_2 C8_2 117.9(10) . . ?
O3_2 C8_2 O4_2 126.9(10) . . ?
O3_2 C8_2 C7_2 119.1(10) . . ?
O4_2 C8_2 C7_2 113.9(10) . . ?
C10_2 C9_2 C14_2 120.0 . . ?
C10_2 C9_2 C5_2 118.1(7) . . ?
C14_2 C9_2 C5_2 121.9(7) . . ?
C9_2 C10_2 C11_2 120.0 . . ?
C9_2 C10_2 H10_2 120.0 . . ?
C11_2 C10_2 H10_2 120.0 . . ?
C10_2 C11_2 C12_2 120.0 . . ?
C10_2 C11_2 C15_2 118.4(6) . . ?
C12_2 C11_2 C15_2 121.6(6) . . ?
C13_2 C12_2 C11_2 120.0 . . ?
C13_2 C12_2 H12_2 120.0 . . ?
C11_2 C12_2 H12_2 120.0 . . ?
C14_2 C13_2 C12_2 120.0 . . ?
C14_2 C13_2 C16_2 119.9(7) . . ?
C12_2 C13_2 C16_2 120.0(7) . . ?
C13_2 C14_2 C9_2 120.0 . . ?
C13_2 C14_2 H14_2 120.0 . . ?
C9_2 C14_2 H14_2 120.0 . . ?
O6_2 C15_2 O5_2 125.7(10) . . ?
O6_2 C15_2 C11_2 118.0(10) . . ?
O5_2 C15_2 C11_2 116.2(8) . . ?
O8_2 C16_2 O7_2 125.3(11) . . ?
O8_2 C16_2 C13_2 118.5(9) . . ?
O7_2 C16_2 C13_2 116.2(10) . . ?
C1_2 O1_2 Cu10 119.9(9) . . ?
C1_2 O2_2 Cu4 126.0(7) . 5 ?
C8_2 O3_2 Cu9 127.4(7) . . ?
C8_2 O4_2 Cu8 131.9(8) . . ?
C15_2 O5_2 Cu2 124.2(6) . . ?
C15_2 O6_2 Cu1 122.7(7) . . ?
C16_2 O7_2 Cu7 123.2(7) . 13_656 ?
C16_2 O8_2 Cu7 121.4(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O5_1 1.948(7) . ?
Cu1 O5_1 1.948(7) 12_655 ?
Cu1 O6_2 1.992(7) 12_655 ?
Cu1 O6_2 1.992(7) . ?
Cu1 O1 2.184(10) . ?
Cu1 Cu2 2.655(3) . ?
Cl1 Cu5 2.545(4) 2_655 ?
Cl1 Cu5 2.545(4) . ?
Cu2 O5_2 1.928(7) . ?
Cu2 O5_2 1.928(7) 12_655 ?
Cu2 O6_1 1.976(7) 12_655 ?
Cu2 O6_1 1.977(7) . ?
Cu2 O2 2.111(9) . ?
Cl2 Cu8 2.5142(19) . ?
Cu3 O8_1 1.932(7) 6 ?
Cu3 O8_1 1.932(7) 13 ?
Cu3 O7_1 1.943(7) . ?
Cu3 O7_1 1.943(7) 10 ?
Cu3 O3 2.232(11) . ?
Cu3 Cu3 2.639(3) 13 ?
O4 Cu5 1.942(13) . ?
Cu4 O3_1 1.909(9) 11 ?
Cu4 O3_1 1.909(9) . ?
Cu4 O2_2 1.942(8) 5_445 ?
Cu4 O2_2 1.942(8) 15_455 ?
Cu4 O14 2.209(12) . ?
Cu4 Cu10 2.680(2) 5_445 ?
Cu5 O1_1 1.957(7) . ?
Cu5 O1_1 1.957(7) 12_655 ?
Cu5 O6 1.985(11) 2_655 ?
O5 Cu6 2.390(16) . ?
O6 Cu6 1.975(6) 2_655 ?
O6 Cu6 1.975(6) . ?
O6 Cu5 1.985(11) 2_655 ?
Cu6 O2_1 1.967(7) . ?
Cu6 O2_1 1.967(7) 11 ?
Cu6 O6 1.976(6) 2_655 ?
Cu6 Cu6 2.994(4) 2_655 ?
Cu7 O7_2 1.921(8) 6_655 ?
Cu7 O7_2 1.921(8) 13_656 ?
Cu7 O8_2 1.966(8) . ?
Cu7 O8_2 1.966(8) 10_556 ?
Cu7 O12 2.233(11) . ?
Cu7 Cu7 2.629(3) 13_656 ?
Cu9 O3_2 1.934(7) 11_565 ?
Cu9 O3_2 1.934(7) . ?
Cu9 O9 1.982(6) . ?
Cu9 O9 1.982(6) 11_565 ?
Cu9 O13 2.314(11) . ?
Cu9 Cu9 3.010(4) 10_556 ?
O9 Cu8 1.902(11) . ?
O9 Cu9 1.982(6) 10_556 ?
Cu10 O4_1 1.927(9) 5 ?
Cu10 O4_1 1.927(9) 15 ?
Cu10 O1_2 1.994(8) . ?
Cu10 O1_2 1.994(8) 11_565 ?
Cu10 O11 2.208(9) . ?
Cu10 Cu4 2.680(2) 5 ?
Cu8 O4_2 1.954(8) 10_556 ?
Cu8 O4_2 1.954(8) . ?
Cu8 O8 2.005(11) . ?
C1_1 O1_1 1.177(12) . ?
C1_1 O2_1 1.285(12) . ?
C1_1 C2_1 1.507(14) . ?
C2_1 C7_1 1.369(14) . ?
C2_1 C3_1 1.410(13) . ?
C3_1 C4_1 1.382(13) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.357(15) . ?
C4_1 C9_1 1.472(10) . ?
C5_1 C6_1 1.419(13) . ?
C5_1 H5_1 0.9500 . ?
C6_1 C7_1 1.403(15) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C8_1 1.517(13) . ?
C8_1 O3_1 1.285(16) . ?
C8_1 O4_1 1.292(15) . ?
C9_1 C10_1 1.382(13) . ?
C9_1 C14_1 1.403(13) . ?
C10_1 C11_1 1.376(12) . ?
C10_1 H10_1 0.9500 . ?
C11_1 C12_1 1.411(13) . ?
C11_1 C16_1 1.481(15) . ?
C12_1 C13_1 1.349(13) . ?
C12_1 H12_1 0.9500 . ?
C13_1 C14_1 1.393(12) . ?
C13_1 C15_1 1.497(14) . ?
C14_1 H14_1 0.9500 . ?
C15_1 O6_1 1.213(11) . ?
C15_1 O5_1 1.283(12) . ?
C16_1 O7_1 1.205(12) . ?
C16_1 O8_1 1.325(11) . ?
O4_1 Cu10 1.927(8) 5_445 ?
O8_1 Cu3 1.933(7) 13 ?
C1_2 O1_2 1.209(13) . ?
C1_2 O2_2 1.240(12) . ?
C1_2 C2_2 1.515(13) . ?
C2_2 C7_2 1.395(14) . ?
C2_2 C3_2 1.406(14) . ?
C3_2 C4_2 1.408(13) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.426(15) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.366(13) . ?
C5_2 C9_2 1.516(8) . ?
C6_2 C7_2 1.413(13) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C8_2 1.522(14) . ?
C8_2 O3_2 1.262(12) . ?
C8_2 O4_2 1.271(12) . ?
C9_2 C10_2 1.3900 . ?
C9_2 C14_2 1.3900 . ?
C10_2 C11_2 1.3900 . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.3900 . ?
C11_2 C15_2 1.510(12) . ?
C12_2 C13_2 1.3900 . ?
C12_2 H12_2 0.9500 . ?
C13_2 C14_2 1.3900 . ?
C13_2 C16_2 1.473(14) . ?
C14_2 H14_2 0.9500 . ?
C15_2 O6_2 1.208(11) . ?
C15_2 O5_2 1.283(12) . ?
C16_2 O8_2 1.229(12) . ?
C16_2 O7_2 1.351(11) . ?
O2_2 Cu4 1.941(8) 5 ?
O7_2 Cu7 1.921(8) 13_656 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1_1 C1_1 C2_1 C7_1 -135.0(14) . . . . ?
O2_1 C1_1 C2_1 C7_1 48.7(18) . . . . ?
O1_1 C1_1 C2_1 C3_1 41.3(19) . . . . ?
O2_1 C1_1 C2_1 C3_1 -135.0(12) . . . . ?
C7_1 C2_1 C3_1 C4_1 0(2) . . . . ?
C1_1 C2_1 C3_1 C4_1 -177.0(12) . . . . ?
C2_1 C3_1 C4_1 C5_1 -4(2) . . . . ?
C2_1 C3_1 C4_1 C9_1 179.2(12) . . . . ?
C3_1 C4_1 C5_1 C6_1 4(2) . . . . ?
C9_1 C4_1 C5_1 C6_1 -178.3(12) . . . . ?
C4_1 C5_1 C6_1 C7_1 -1(2) . . . . ?
C3_1 C2_1 C7_1 C6_1 4(2) . . . . ?
C1_1 C2_1 C7_1 C6_1 179.9(13) . . . . ?
C3_1 C2_1 C7_1 C8_1 -166.7(12) . . . . ?
C1_1 C2_1 C7_1 C8_1 10(2) . . . . ?
C5_1 C6_1 C7_1 C2_1 -3(2) . . . . ?
C5_1 C6_1 C7_1 C8_1 168.1(13) . . . . ?
C2_1 C7_1 C8_1 O3_1 39.8(19) . . . . ?
C6_1 C7_1 C8_1 O3_1 -130.9(14) . . . . ?
C2_1 C7_1 C8_1 O4_1 -149.9(13) . . . . ?
C6_1 C7_1 C8_1 O4_1 39.4(17) . . . . ?
C5_1 C4_1 C9_1 C10_1 -32.5(17) . . . . ?
C3_1 C4_1 C9_1 C10_1 144.7(13) . . . . ?
C5_1 C4_1 C9_1 C14_1 145.7(12) . . . . ?
C3_1 C4_1 C9_1 C14_1 -37.1(17) . . . . ?
C14_1 C9_1 C10_1 C11_1 -0.9(14) . . . . ?
C4_1 C9_1 C10_1 C11_1 177.3(10) . . . . ?
C9_1 C10_1 C11_1 C12_1 3.1(16) . . . . ?
C9_1 C10_1 C11_1 C16_1 179.6(10) . . . . ?
C10_1 C11_1 C12_1 C13_1 -5.5(13) . . . . ?
C16_1 C11_1 C12_1 C13_1 178.2(11) . . . . ?
C11_1 C12_1 C13_1 C14_1 5.7(13) . . . . ?
C11_1 C12_1 C13_1 C15_1 -174.9(10) . . . . ?
C12_1 C13_1 C14_1 C9_1 -3.4(16) . . . . ?
C15_1 C13_1 C14_1 C9_1 177.1(10) . . . . ?
C10_1 C9_1 C14_1 C13_1 1.0(14) . . . . ?
C4_1 C9_1 C14_1 C13_1 -177.2(10) . . . . ?
C12_1 C13_1 C15_1 O6_1 -13.0(16) . . . . ?
C14_1 C13_1 C15_1 O6_1 166.4(10) . . . . ?
C12_1 C13_1 C15_1 O5_1 165.2(10) . . . . ?
C14_1 C13_1 C15_1 O5_1 -15.4(15) . . . . ?
C10_1 C11_1 C16_1 O7_1 12.9(16) . . . . ?
C12_1 C11_1 C16_1 O7_1 -170.7(10) . . . . ?
C10_1 C11_1 C16_1 O8_1 -165.3(10) . . . . ?
C12_1 C11_1 C16_1 O8_1 11.1(16) . . . . ?
O2_1 C1_1 O1_1 Cu5 22(2) . . . . ?
C2_1 C1_1 O1_1 Cu5 -154.0(9) . . . . ?
O1_1 C1_1 O2_1 Cu6 -9(2) . . . . ?
C2_1 C1_1 O2_1 Cu6 167.2(8) . . . . ?
O4_1 C8_1 O3_1 Cu4 -4.8(18) . . . . ?
C7_1 C8_1 O3_1 Cu4 164.1(8) . . . . ?
O3_1 C8_1 O4_1 Cu10 5.7(18) . . . 5_445 ?
C7_1 C8_1 O4_1 Cu10 -163.7(8) . . . 5_445 ?
O6_1 C15_1 O5_1 Cu1 0.2(17) . . . . ?
C13_1 C15_1 O5_1 Cu1 -177.8(7) . . . . ?
O5_1 C15_1 O6_1 Cu2 0.5(17) . . . . ?
C13_1 C15_1 O6_1 Cu2 178.5(7) . . . . ?
O8_1 C16_1 O7_1 Cu3 0.3(17) . . . . ?
C11_1 C16_1 O7_1 Cu3 -177.7(7) . . . . ?
O7_1 C16_1 O8_1 Cu3 -1.6(16) . . . 13 ?
C11_1 C16_1 O8_1 Cu3 176.5(7) . . . 13 ?
O1_2 C1_2 C2_2 C7_2 -151.3(13) . . . . ?
O2_2 C1_2 C2_2 C7_2 35(2) . . . . ?
O1_2 C1_2 C2_2 C3_2 39.5(18) . . . . ?
O2_2 C1_2 C2_2 C3_2 -134.0(13) . . . . ?
C7_2 C2_2 C3_2 C4_2 -2(2) . . . . ?
C1_2 C2_2 C3_2 C4_2 167.6(12) . . . . ?
C2_2 C3_2 C4_2 C5_2 3(2) . . . . ?
C3_2 C4_2 C5_2 C6_2 -1(2) . . . . ?
C3_2 C4_2 C5_2 C9_2 -178.0(12) . . . . ?
C4_2 C5_2 C6_2 C7_2 -2(2) . . . . ?
C9_2 C5_2 C6_2 C7_2 175.3(11) . . . . ?
C3_2 C2_2 C7_2 C6_2 -1(2) . . . . ?
C1_2 C2_2 C7_2 C6_2 -169.4(12) . . . . ?
C3_2 C2_2 C7_2 C8_2 -172.3(13) . . . . ?
C1_2 C2_2 C7_2 C8_2 19(2) . . . . ?
C5_2 C6_2 C7_2 C2_2 3(2) . . . . ?
C5_2 C6_2 C7_2 C8_2 174.4(12) . . . . ?
C2_2 C7_2 C8_2 O3_2 40.0(19) . . . . ?
C6_2 C7_2 C8_2 O3_2 -131.7(13) . . . . ?
C2_2 C7_2 C8_2 O4_2 -139.3(12) . . . . ?
C6_2 C7_2 C8_2 O4_2 49.0(17) . . . . ?
C6_2 C5_2 C9_2 C10_2 143.9(11) . . . . ?
C4_2 C5_2 C9_2 C10_2 -39.0(14) . . . . ?
C6_2 C5_2 C9_2 C14_2 -37.9(15) . . . . ?
C4_2 C5_2 C9_2 C14_2 139.3(11) . . . . ?
C14_2 C9_2 C10_2 C11_2 0.0 . . . . ?
C5_2 C9_2 C10_2 C11_2 178.3(7) . . . . ?
C9_2 C10_2 C11_2 C12_2 0.0 . . . . ?
C9_2 C10_2 C11_2 C15_2 -178.7(8) . . . . ?
C10_2 C11_2 C12_2 C13_2 0.0 . . . . ?
C15_2 C11_2 C12_2 C13_2 178.7(9) . . . . ?
C11_2 C12_2 C13_2 C14_2 0.0 . . . . ?
C11_2 C12_2 C13_2 C16_2 -177.7(9) . . . . ?
C12_2 C13_2 C14_2 C9_2 0.0 . . . . ?
C16_2 C13_2 C14_2 C9_2 177.7(9) . . . . ?
C10_2 C9_2 C14_2 C13_2 0.0 . . . . ?
C5_2 C9_2 C14_2 C13_2 -178.2(7) . . . . ?
C10_2 C11_2 C15_2 O6_2 -166.6(8) . . . . ?
C12_2 C11_2 C15_2 O6_2 14.8(14) . . . . ?
C10_2 C11_2 C15_2 O5_2 16.8(12) . . . . ?
C12_2 C11_2 C15_2 O5_2 -161.9(8) . . . . ?
C14_2 C13_2 C16_2 O8_2 -11.2(13) . . . . ?
C12_2 C13_2 C16_2 O8_2 166.5(8) . . . . ?
C14_2 C13_2 C16_2 O7_2 168.4(7) . . . . ?
C12_2 C13_2 C16_2 O7_2 -13.9(13) . . . . ?
O2_2 C1_2 O1_2 Cu10 12(2) . . . . ?
C2_2 C1_2 O1_2 Cu10 -160.6(8) . . . . ?
O1_2 C1_2 O2_2 Cu4 -10(2) . . . 5 ?
C2_2 C1_2 O2_2 Cu4 162.2(8) . . . 5 ?
O4_2 C8_2 O3_2 Cu9 -7(2) . . . . ?
C7_2 C8_2 O3_2 Cu9 174.2(8) . . . . ?
O3_2 C8_2 O4_2 Cu8 20(2) . . . . ?
C7_2 C8_2 O4_2 Cu8 -161.2(8) . . . . ?
O6_2 C15_2 O5_2 Cu2 4.1(18) . . . . ?
C11_2 C15_2 O5_2 Cu2 -179.5(6) . . . . ?
O5_2 C15_2 O6_2 Cu1 -4.4(18) . . . . ?
C11_2 C15_2 O6_2 Cu1 179.3(6) . . . . ?
O8_2 C16_2 O7_2 Cu7 5.4(17) . . . 13_656 ?
C13_2 C16_2 O7_2 Cu7 -174.2(6) . . . 13_656 ?
O7_2 C16_2 O8_2 Cu7 -1.6(16) . . . . ?
C13_2 C16_2 O8_2 Cu7 178.0(7) . . . . ?
