#------------------------------------------------------------------------------
#$Date: 2019-11-28 16:14:21 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244089 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/82/7238212.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_7238212
loop_
_publ_author_name
'Wu, Jing-Yun'
'Huang, Sheng-Ming'
'Chiang, Ming-Hsi'
_publ_section_title
;
 Hydro(solvo)thermal synthesis of homochiral metal--camphorate
 coordination polymers
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3909
_journal_paper_doi               10.1039/c000872a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C40 H60 Cu2 O16'
_chemical_formula_weight         923.96
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.375(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.3610(7)
_cell_length_b                   13.0991(6)
_cell_length_c                   13.3610(7)
_cell_measurement_reflns_used    4875
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.77
_cell_measurement_theta_min      2.30
_cell_volume                     2094.99(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.782
_diffrn_measured_fraction_theta_max 0.782
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.1429
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15488
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.086
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS, 1996'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.541
_refine_diff_density_rms         0.135
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         5362
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          1.487
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0555P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1366
_reflns_number_gt                3874
_reflns_number_total             5362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000872a.txt
_cod_data_source_block           i11111
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7238212
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.28363(9) 0.42489(6) 1.09707(8) 0.0166(3) Uani 1 1 d .
Cu2 Cu 0.20719(9) 0.45009(5) 0.88600(8) 0.0168(3) Uani 1 1 d .
O1 O 0.2994(5) 0.2841(5) 1.0612(5) 0.0213(15) Uani 1 1 d .
O2 O 0.2473(6) 0.3076(5) 0.8784(5) 0.0240(16) Uani 1 1 d .
O3 O 0.4325(5) 0.4548(5) 1.1039(4) 0.0189(13) Uani 1 1 d .
O4 O 0.3578(5) 0.4929(5) 0.9200(5) 0.0231(15) Uani 1 1 d .
O5 O 0.1265(5) 0.3989(5) 1.0584(4) 0.0171(14) Uani 1 1 d .
O6 O 0.0595(5) 0.4053(5) 0.8734(5) 0.0229(15) Uani 1 1 d .
O7 O 0.2611(6) 0.5680(5) 1.1098(5) 0.0214(15) Uani 1 1 d .
O8 O 0.1743(5) 0.5883(5) 0.9224(5) 0.0201(15) Uani 1 1 d .
O9 O 0.3549(6) -0.0171(5) 1.4753(5) 0.0318(17) Uani 1 1 d .
O10 O 0.2933(6) 0.0790(5) 1.5744(6) 0.0409(19) Uani 1 1 d .
H101 H 0.2581 0.0291 1.5540 0.061 Uiso 1 1 d R
O11 O 0.3600(6) 0.3901(4) 1.2748(5) 0.0195(14) Uani 1 1 d .
O12 O 0.5273(5) 0.3465(6) 1.2979(5) 0.0271(17) Uani 1 1 d .
H102 H 0.5197 0.3967 1.2536 0.041 Uiso 1 1 d R
O13 O 0.1600(6) 0.9296(5) 0.5645(5) 0.0402(16) Uani 1 1 d .
O14 O 0.2167(6) 0.8330(5) 0.4601(5) 0.0375(18) Uani 1 1 d .
H103 H 0.2590 0.8846 0.4555 0.056 Uiso 1 1 d R
O15 O 0.1355(6) 0.4961(5) 0.7112(5) 0.0243(16) Uani 1 1 d .
O16 O -0.0385(5) 0.5290(6) 0.6909(5) 0.0284(18) Uani 1 1 d .
H104 H -0.0156 0.5042 0.7606 0.043 Uiso 1 1 d R
C1 C 0.3107(7) 0.1417(7) 0.9540(7) 0.018(2) Uani 1 1 d .
C2 C 0.5717(9) 0.6349(9) 1.0419(10) 0.038(3) Uani 1 1 d .
C3 C 0.5540(7) 0.5162(8) 1.0279(7) 0.021(2) Uani 1 1 d .
H3 H 0.6106 0.4836 1.0954 0.025 Uiso 1 1 calc R
C4 C 0.5765(10) 0.4853(13) 0.9307(9) 0.060(4) Uani 1 1 d .
H4A H 0.5099 0.4890 0.8600 0.072 Uiso 1 1 calc R
H4B H 0.6090 0.4176 0.9405 0.072 Uiso 1 1 calc R
C5 C 0.3339(10) 0.0744(10) 1.0573(11) 0.052(3) Uani 1 1 d .
H5A H 0.2647 0.0436 1.0494 0.063 Uiso 1 1 calc R
H5B H 0.3632 0.1164 1.1241 0.063 Uiso 1 1 calc R
C6 C 0.2835(8) 0.2560(8) 0.9622(8) 0.023(2) Uani 1 1 d .
C7 C 0.4395(8) 0.4870(7) 1.0176(7) 0.017(2) Uani 1 1 d .
C8 C 0.2364(11) 0.0965(7) 0.8430(8) 0.064(4) Uani 1 1 d .
H8A H 0.2172 0.1479 0.7862 0.096 Uiso 1 1 calc R
H8B H 0.1696 0.0711 0.8443 0.096 Uiso 1 1 calc R
H8C H 0.2745 0.0415 0.8271 0.096 Uiso 1 1 calc R
C9 C 0.5653(14) 0.6742(11) 1.1414(16) 0.105(8) Uani 1 1 d .
H9A H 0.4885 0.6846 1.1253 0.158 Uiso 1 1 calc R
H9B H 0.6047 0.7379 1.1630 0.158 Uiso 1 1 calc R
H9C H 0.5986 0.6260 1.2013 0.158 Uiso 1 1 calc R
C10 C 0.4836(11) 0.6878(15) 0.9364(19) 0.181(14) Uani 1 1 d .
H10A H 0.4156 0.6960 0.9433 0.271 Uiso 1 1 calc R
H10B H 0.4696 0.6467 0.8720 0.271 Uiso 1 1 calc R
H10C H 0.5109 0.7535 0.9282 0.271 Uiso 1 1 calc R
C11 C -0.0648(7) 0.3618(7) 0.9505(7) 0.015(2) Uani 1 1 d .
C12 C 0.0790(14) 0.7448(12) 1.0429(17) 0.089(6) Uani 1 1 d .
C13 C 0.1839(8) 0.7313(7) 1.0364(7) 0.017(2) Uani 1 1 d .
H13 H 0.2432 0.7532 1.1085 0.020 Uiso 1 1 calc R
C14 C 0.1875(18) 0.8011(10) 0.9517(13) 0.112(8) Uani 1 1 d .
H14A H 0.1707 0.7667 0.8817 0.134 Uiso 1 1 calc R
H14B H 0.2583 0.8366 0.9779 0.134 Uiso 1 1 calc R
C15 C 0.0765(14) 0.8833(10) 0.9420(13) 0.070(5) Uani 1 1 d .
H15A H 0.0954 0.9543 0.9385 0.084 Uiso 1 1 calc R
H15B H 0.0078 0.8674 0.8763 0.084 Uiso 1 1 calc R
C16 C 0.0484(9) 0.3921(7) 0.9636(8) 0.025(2) Uani 1 1 d .
C17 C 0.2094(8) 0.6226(8) 1.0197(7) 0.017(2) Uani 1 1 d .
C18 C -0.1599(8) 0.3934(11) 0.8452(8) 0.061(4) Uani 1 1 d .
H18A H -0.1749 0.4646 0.8490 0.092 Uiso 1 1 calc R
H18B H -0.2247 0.3541 0.8341 0.092 Uiso 1 1 calc R
H18C H -0.1420 0.3819 0.7840 0.092 Uiso 1 1 calc R
C19 C 0.1090(15) 0.7019(13) 1.1800(12) 0.093(6) Uani 1 1 d .
H19A H 0.0419 0.7029 1.1894 0.139 Uiso 1 1 calc R
H19B H 0.1636 0.7461 1.2341 0.139 Uiso 1 1 calc R
H19C H 0.1378 0.6335 1.1902 0.139 Uiso 1 1 calc R
C20 C -0.0138(10) 0.6852(7) 0.9776(13) 0.061(4) Uani 1 1 d .
H20A H -0.0476 0.7108 0.9024 0.092 Uiso 1 1 calc R
H20B H -0.0668 0.6880 1.0078 0.092 Uiso 1 1 calc R
H20C H 0.0094 0.6158 0.9776 0.092 Uiso 1 1 calc R
C21 C 0.4283(7) 0.1508(6) 1.5236(7) 0.021(2) Uani 1 1 d .
C22 C 0.4180(8) 0.1789(6) 1.4065(7) 0.0209(19) Uani 1 1 d .
C23 C 0.4710(9) 0.2858(7) 1.4313(7) 0.022(2) Uani 1 1 d .
H23 H 0.5522 0.2776 1.4722 0.026 Uiso 1 1 calc R
C24 C 0.4312(9) 0.3385(6) 1.5073(7) 0.031(2) Uani 1 1 d .
H24A H 0.3689 0.3834 1.4650 0.037 Uiso 1 1 calc R
H24B H 0.4909 0.3784 1.5635 0.037 Uiso 1 1 calc R
C25 C 0.3956(9) 0.2535(6) 1.5609(8) 0.030(2) Uani 1 1 d .
H25A H 0.3156 0.2562 1.5367 0.036 Uiso 1 1 calc R
H25B H 0.4332 0.2598 1.6416 0.036 Uiso 1 1 calc R
C26 C 0.3541(9) 0.0644(8) 1.5224(8) 0.029(2) Uani 1 1 d .
C27 C 0.4460(8) 0.3474(7) 1.3270(7) 0.018(2) Uani 1 1 d .
C28 C 0.5473(10) 0.1163(10) 1.6058(9) 0.048(3) Uani 1 1 d .
H28A H 0.5520 0.1094 1.6792 0.071 Uiso 1 1 calc R
H28B H 0.6004 0.1664 1.6072 0.071 Uiso 1 1 calc R
H28C H 0.5635 0.0519 1.5820 0.071 Uiso 1 1 calc R
C29 C 0.4760(9) 0.1092(7) 1.3643(8) 0.038(3) Uani 1 1 d .
H29A H 0.4484 0.0411 1.3617 0.057 Uiso 1 1 calc R
H29B H 0.5547 0.1108 1.4129 0.057 Uiso 1 1 calc R
H29C H 0.4630 0.1298 1.2906 0.057 Uiso 1 1 calc R
C30 C 0.2931(8) 0.1865(9) 1.3238(7) 0.031(3) Uani 1 1 d .
H30A H 0.2857 0.2077 1.2521 0.046 Uiso 1 1 calc R
H30B H 0.2576 0.2356 1.3508 0.046 Uiso 1 1 calc R
H30C H 0.2584 0.1211 1.3172 0.046 Uiso 1 1 calc R
C31 C 0.0685(9) 0.7720(8) 0.5019(9) 0.048(3) Uani 1 1 d .
C32 C 0.1252(8) 0.6739(7) 0.5746(7) 0.029(2) Uani 1 1 d .
C33 C 0.0241(9) 0.6238(9) 0.5822(9) 0.036(3) Uani 1 1 d .
H33 H -0.0194 0.5905 0.5100 0.043 Uiso 1 1 calc R
C34 C -0.0485(10) 0.7131(9) 0.5886(13) 0.070(4) Uani 1 1 d .
H34A H -0.1267 0.7010 0.5392 0.084 Uiso 1 1 calc R
H34B H -0.0398 0.7210 0.6642 0.084 Uiso 1 1 calc R
C35 C -0.0074(12) 0.8078(11) 0.5525(16) 0.103(7) Uani 1 1 d .
H35A H 0.0335 0.8516 0.6163 0.123 Uiso 1 1 calc R
H35B H -0.0700 0.8459 0.4979 0.123 Uiso 1 1 calc R
C36 C 0.1504(10) 0.8482(10) 0.5094(9) 0.043(3) Uani 1 1 d .
C37 C 0.0491(8) 0.5444(8) 0.6671(8) 0.023(2) Uani 1 1 d .
C38 C 0.0000(15) 0.7398(12) 0.3813(11) 0.111(8) Uani 1 1 d .
H38A H 0.0451 0.7443 0.3421 0.166 Uiso 1 1 calc R
H38B H -0.0636 0.7839 0.3466 0.166 Uiso 1 1 calc R
H38C H -0.0249 0.6707 0.3790 0.166 Uiso 1 1 calc R
C39 C 0.1818(12) 0.5994(8) 0.5259(10) 0.064(4) Uani 1 1 d .
H39A H 0.2319 0.5555 0.5841 0.096 Uiso 1 1 calc R
H39B H 0.2229 0.6375 0.4950 0.096 Uiso 1 1 calc R
H39C H 0.1258 0.5589 0.4683 0.096 Uiso 1 1 calc R
C40 C 0.2110(9) 0.7045(9) 0.6849(8) 0.033(3) Uani 1 1 d .
H40A H 0.2317 0.6467 0.7342 0.050 Uiso 1 1 calc R
H40B H 0.1822 0.7575 0.7144 0.050 Uiso 1 1 calc R
H40C H 0.2755 0.7292 0.6783 0.050 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'
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
O7 Cu1 O1 171.6(3) . .
O7 Cu1 O5 90.1(3) . .
O1 Cu1 O5 89.5(3) . .
O7 Cu1 O3 89.8(3) . .
O1 Cu1 O3 89.0(3) . .
O5 Cu1 O3 168.6(2) . .
O7 Cu1 O11 97.1(2) . .
O1 Cu1 O11 91.2(2) . .
O5 Cu1 O11 100.4(2) . .
O3 Cu1 O11 91.0(2) . .
O7 Cu1 Cu2 88.29(18) . .
O1 Cu1 Cu2 83.37(18) . .
O5 Cu1 Cu2 82.82(16) . .
O3 Cu1 Cu2 85.78(15) . .
O11 Cu1 Cu2 173.69(18) . .
O4 Cu2 O2 90.5(3) . .
O4 Cu2 O8 89.9(3) . .
O2 Cu2 O8 169.6(2) . .
O4 Cu2 O6 172.2(2) . .
O2 Cu2 O6 89.9(3) . .
O8 Cu2 O6 88.3(3) . .
O4 Cu2 O15 95.0(3) . .
O2 Cu2 O15 102.0(2) . .
O8 Cu2 O15 88.3(2) . .
O6 Cu2 O15 92.5(3) . .
O4 Cu2 Cu1 85.08(18) . .
O2 Cu2 Cu1 87.12(17) . .
O8 Cu2 Cu1 82.54(17) . .
O6 Cu2 Cu1 87.18(16) . .
O15 Cu2 Cu1 170.86(19) . .
C6 O1 Cu1 122.4(6) . .
C6 O2 Cu2 119.4(6) . .
C7 O3 Cu1 119.9(5) . .
C7 O4 Cu2 123.3(6) . .
C16 O5 Cu1 127.0(6) . .
C16 O6 Cu2 118.8(6) . .
C17 O7 Cu1 119.6(6) . .
C17 O8 Cu2 124.3(6) . .
C27 O11 Cu1 127.1(6) . .
C37 O15 Cu2 122.3(6) . .
C8 C1 C5 116.2(9) . .
C8 C1 C2 103.3(9) . 2_647
C5 C1 C2 97.9(8) . 2_647
C8 C1 C6 112.2(7) . .
C5 C1 C6 116.4(8) . .
C2 C1 C6 108.5(8) 2_647 .
C9 C2 C10 110.1(15) . .
C9 C2 C1 114.5(10) . 2_657
C10 C2 C1 110.9(11) . 2_657
C9 C2 C3 113.0(10) . .
C10 C2 C3 108.8(12) . .
C1 C2 C3 99.1(8) 2_657 .
C4 C3 C7 115.5(8) . .
C4 C3 C2 106.9(9) . .
C7 C3 C2 110.6(8) . .
C3 C4 C5 98.2(9) . 2_657
C1 C5 C4 110.0(8) . 2_647
O2 C6 O1 127.0(9) . .
O2 C6 C1 118.9(8) . .
O1 C6 C1 114.0(8) . .
O3 C7 O4 124.9(8) . .
O3 C7 C3 118.5(8) . .
O4 C7 C3 116.5(7) . .
C18 C11 C16 115.8(7) . .
C18 C11 C15 115.9(10) . 2_547
C16 C11 C15 111.0(9) . 2_547
C18 C11 C12 104.8(11) . 2_547
C16 C11 C12 113.5(9) . 2_547
C15 C11 C12 93.6(9) 2_547 2_547
C20 C12 C13 120.5(14) . .
C20 C12 C11 119.4(14) . 2_557
C13 C12 C11 105.7(10) . 2_557
C20 C12 C19 101.4(12) . .
C13 C12 C19 103.9(13) . .
C11 C12 C19 103.3(12) 2_557 .
C12 C13 C14 109.4(12) . .
C12 C13 C17 114.4(10) . .
C14 C13 C17 112.7(8) . .
C13 C14 C15 96.9(10) . .
C11 C15 C14 104.3(9) 2_557 .
O5 C16 O6 123.5(10) . .
O5 C16 C11 119.2(8) . .
O6 C16 C11 117.1(8) . .
O8 C17 O7 124.2(9) . .
O8 C17 C13 119.3(8) . .
O7 C17 C13 116.4(8) . .
C26 C21 C28 104.8(8) . .
C26 C21 C22 114.0(7) . .
C28 C21 C22 112.8(8) . .
C26 C21 C25 112.1(7) . .
C28 C21 C25 111.7(8) . .
C22 C21 C25 101.8(6) . .
C29 C22 C23 112.3(8) . .
C29 C22 C30 110.8(8) . .
C23 C22 C30 110.1(8) . .
C29 C22 C21 114.5(7) . .
C23 C22 C21 100.0(6) . .
C30 C22 C21 108.7(7) . .
C24 C23 C27 112.2(8) . .
C24 C23 C22 107.2(7) . .
C27 C23 C22 113.2(7) . .
C23 C24 C25 105.2(7) . .
C24 C25 C21 107.0(7) . .
O9 C26 O10 123.1(10) . .
O9 C26 C21 120.0(9) . .
O10 C26 C21 116.9(9) . .
O11 C27 O12 123.0(8) . .
O11 C27 C23 123.6(9) . .
O12 C27 C23 113.4(8) . .
C36 C31 C38 110.2(11) . .
C36 C31 C35 112.8(12) . .
C38 C31 C35 110.5(13) . .
C36 C31 C32 112.0(9) . .
C38 C31 C32 108.9(10) . .
C35 C31 C32 102.0(9) . .
C40 C32 C39 106.6(10) . .
C40 C32 C33 111.5(8) . .
C39 C32 C33 111.4(8) . .
C40 C32 C31 110.0(9) . .
C39 C32 C31 116.4(9) . .
C33 C32 C31 101.0(8) . .
C37 C33 C32 116.6(9) . .
C37 C33 C34 115.3(9) . .
C32 C33 C34 105.7(9) . .
C35 C34 C33 106.0(9) . .
C34 C35 C31 107.2(11) . .
O13 C36 O14 119.7(10) . .
O13 C36 C31 119.7(11) . .
O14 C36 C31 120.6(12) . .
O15 C37 O16 122.7(9) . .
O15 C37 C33 125.9(9) . .
O16 C37 C33 111.4(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O7 1.918(7) .
Cu1 O1 1.940(6) .
Cu1 O5 1.956(6) .
Cu1 O3 1.989(6) .
Cu1 O11 2.176(6) .
Cu1 Cu2 2.5585(13) .
Cu2 O4 1.938(6) .
Cu2 O2 1.957(7) .
Cu2 O8 1.974(6) .
Cu2 O6 1.993(7) .
Cu2 O15 2.179(6) .
O1 C6 1.297(11) .
O2 C6 1.209(11) .
O3 C7 1.269(10) .
O4 C7 1.278(11) .
O5 C16 1.235(11) .
O6 C16 1.290(11) .
O7 C17 1.304(10) .
O8 C17 1.252(10) .
O9 C26 1.242(11) .
O10 C26 1.296(11) .
O11 C27 1.187(11) .
O12 C27 1.307(11) .
O13 C36 1.270(14) .
O14 C36 1.332(14) .
O15 C37 1.215(12) .
O16 C37 1.357(11) .
C1 C8 1.492(12) .
C1 C5 1.549(16) .
C1 C2 1.550(13) 2_647
C1 C6 1.556(14) .
C2 C9 1.464(17) .
C2 C10 1.542(17) .
C2 C1 1.550(13) 2_657
C2 C3 1.572(15) .
C3 C4 1.512(13) .
C3 C7 1.523(12) .
C4 C5 1.629(18) 2_657
C5 C4 1.629(18) 2_647
C11 C18 1.475(13) .
C11 C16 1.497(13) .
C11 C15 1.538(14) 2_547
C11 C12 1.551(18) 2_547
C12 C20 1.40(2) .
C12 C13 1.452(16) .
C12 C11 1.551(18) 2_557
C12 C19 1.78(2) .
C13 C14 1.472(14) .
C13 C17 1.504(14) .
C14 C15 1.79(2) .
C15 C11 1.538(14) 2_557
C21 C26 1.499(13) .
C21 C28 1.545(13) .
C21 C22 1.553(12) .
C21 C25 1.563(12) .
C22 C29 1.463(12) .
C22 C23 1.538(12) .
C22 C30 1.541(13) .
C23 C24 1.506(12) .
C23 C27 1.513(12) .
C24 C25 1.511(11) .
C31 C36 1.452(15) .
C31 C38 1.516(17) .
C31 C35 1.522(19) .
C31 C32 1.586(12) .
C32 C40 1.464(13) .
C32 C39 1.544(14) .
C32 C33 1.545(14) .
C33 C37 1.464(14) .
C33 C34 1.546(16) .
C34 C35 1.518(16) .
