#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/28/4512881.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_4512881
loop_
_publ_author_name
'Si, Chang-Dai'
'Hu, Dong-Cheng'
'Fan, Yan'
'Wu, Yu'
'Yao, Xiao-Qiang'
'Yang, Yun-Xia'
'Liu, Jia-Cheng'
_publ_section_title
;
 Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids
 and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties,
 and Photoluminescences
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2419
_journal_paper_doi               10.1021/acs.cgd.5b00205
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C32 H30.8 Cu5 O26.4'
_chemical_formula_weight         1155.47
_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                101.006(4)
_cell_angle_beta                 110.549(4)
_cell_angle_gamma                99.779(4)
_cell_formula_units_Z            1
_cell_length_a                   10.7643(4)
_cell_length_b                   11.1903(5)
_cell_length_c                   11.8805(6)
_cell_measurement_reflns_used    3928
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      2.5
_cell_volume                     1270.95(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71000
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7818
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    2.136
_exptl_absorpt_correction_T_max  0.6871
_exptl_absorpt_correction_T_min  0.6066
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             579
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_platon_squeeze_details
;
;
_refine_diff_density_max         0.431
_refine_diff_density_min         -1.099
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4482
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0391
_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)+(0.0465P)²+1.5064P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1119
_reflns_number_gt                3837
_reflns_number_total             4482
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00205_si_001.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
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

 Adding full bibliography for 4512880--4512886.cif.
;
_cod_original_cell_volume        1270.94(10)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C32 H30.80 Cu5 O26.40'
_cod_database_code               4512881
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 0.64404(4) 0.51070(4) 0.01199(4) 0.01799(14) Uani 1 1 d .
Cu1 Cu 0.5000 0.0000 1.0000 0.0347(2) Uani 1 2 d S
Cu2 Cu 0.56218(5) 0.38577(5) 0.21048(4) 0.02223(15) Uani 1 1 d .
O1 O 0.3837(3) -0.0152(3) 0.8297(3) 0.0375(8) Uani 1 1 d .
O2 O 0.4732(3) 0.1903(3) 0.8747(3) 0.0362(7) Uani 1 1 d .
O3 O 0.2626(3) 0.3386(3) 0.8100(2) 0.0272(6) Uani 1 1 d .
O4 O 0.3966(3) 0.4084(3) 0.7164(3) 0.0410(8) Uani 1 1 d .
O5 O 0.0377(3) 0.0555(2) 0.3085(2) 0.0218(6) Uani 1 1 d .
O6 O -0.2705(3) 0.3433(3) 0.2078(3) 0.0373(8) Uani 1 1 d .
O7 O -0.2228(3) 0.4129(3) 0.0586(3) 0.0278(6) Uani 1 1 d .
H7B H -0.2936 0.4401 0.0504 0.033 Uiso 1 1 d R
O8 O 0.2456(3) 0.4233(3) 0.0726(3) 0.0312(7) Uani 1 1 d .
O9 O 0.3763(3) 0.3326(3) 0.2047(3) 0.0351(7) Uani 1 1 d .
O10 O 0.3657(5) 0.0624(5) 1.0555(4) 0.0771(14) Uani 1 1 d .
H10A H 0.3948 0.0781 1.1346 0.116 Uiso 1 1 d R
H10B H 0.3553 0.1297 1.0343 0.116 Uiso 1 1 d R
O11 O 0.6215(4) 0.3587(4) 0.3785(3) 0.0588(11) Uani 1 1 d .
H11A H 0.5712 0.2770 0.3735 0.088 Uiso 1 1 d R
H11B H 0.7179 0.3634 0.4098 0.088 Uiso 1 1 d R
O12 O 0.5012(2) 0.4003(2) 0.0421(2) 0.0172(5) Uani 1 1 d .
H12A H 0.4771 0.3274 -0.0081 0.021 Uiso 1 1 d R
H12B H 0.4311 0.4298 0.0269 0.021 Uiso 1 1 d R
C1 C 0.3901(4) 0.0893(4) 0.8018(4) 0.0282(9) Uani 1 1 d .
C2 C 0.2952(4) 0.0851(4) 0.6732(4) 0.0234(8) Uani 1 1 d .
C3 C 0.2675(4) 0.1941(3) 0.6395(3) 0.0219(8) Uani 1 1 d .
C4 C 0.1837(4) 0.1867(3) 0.5168(3) 0.0217(8) Uani 1 1 d .
H4 H 0.1673 0.2594 0.4939 0.026 Uiso 1 1 calc R
C5 C 0.1258(4) 0.0710(3) 0.4301(3) 0.0189(8) Uani 1 1 d .
C6 C 0.1494(4) -0.0386(4) 0.4620(4) 0.0252(9) Uani 1 1 d .
H6 H 0.1090 -0.1164 0.4028 0.030 Uiso 1 1 calc R
C7 C 0.2334(4) -0.0305(4) 0.5824(4) 0.0274(9) Uani 1 1 d .
H7 H 0.2494 -0.1038 0.6039 0.033 Uiso 1 1 calc R
C8 C 0.3162(4) 0.3237(4) 0.7319(4) 0.0256(9) Uani 1 1 d .
C9 C 0.0394(4) 0.1611(3) 0.2598(3) 0.0197(8) Uani 1 1 d .
C10 C -0.0753(4) 0.2060(4) 0.2308(4) 0.0223(8) Uani 1 1 d .
H10 H -0.1480 0.1732 0.2505 0.027 Uiso 1 1 calc R
C11 C -0.0809(4) 0.3026(4) 0.1707(3) 0.0210(8) Uani 1 1 d .
C12 C 0.0297(4) 0.3496(4) 0.1423(4) 0.0225(8) Uani 1 1 d .
H12 H 0.0252 0.4113 0.0996 0.027 Uiso 1 1 calc R
C13 C 0.1459(4) 0.3051(4) 0.1772(3) 0.0199(8) Uani 1 1 d .
C14 C 0.1517(4) 0.2098(4) 0.2363(3) 0.0215(8) Uani 1 1 d .
H14 H 0.2294 0.1793 0.2597 0.026 Uiso 1 1 calc R
C15 C 0.2663(4) 0.3584(4) 0.1489(4) 0.0225(8) Uani 1 1 d .
C16 C -0.2017(4) 0.3571(4) 0.1430(4) 0.0233(8) Uani 1 1 d .
O13 O 0.8291(3) 0.8578(3) 0.0947(3) 0.0459(8) Uani 1 1 d G
H13B H 0.8135 0.7855 0.1156 0.055 Uiso 1 1 d R
H13A H 0.8956 0.9219 0.1628 0.055 Uiso 1 1 d R
O14 O 0.5163(16) 0.4563(19) 0.5368(15) 0.061(6) Uani 0.20 1 d P
H14B H 0.4829 0.4434 0.5877 0.073 Uiso 0.20 1 d PR
H14A H 0.5697 0.5317 0.5629 0.091 Uiso 0.20 1 d PR
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 Cu3 O8 84.45(11) 1_655 2_665
O7 Cu3 O12 176.17(11) 1_655 2_665
O8 Cu3 O12 97.17(11) 2_665 2_665
O7 Cu3 O12 94.69(10) 1_655 .
O8 Cu3 O12 160.45(12) 2_665 .
O12 Cu3 O12 82.62(10) 2_665 .
O7 Cu3 O3 96.08(11) 1_655 2_666
O8 Cu3 O3 98.73(12) 2_665 2_666
O12 Cu3 O3 87.13(10) 2_665 2_666
O12 Cu3 O3 100.78(10) . 2_666
O7 Cu3 Cu3 135.89(8) 1_655 2_665
O8 Cu3 Cu3 135.30(9) 2_665 2_665
O12 Cu3 Cu3 41.36(7) 2_665 2_665
O12 Cu3 Cu3 41.26(7) . 2_665
O3 Cu3 Cu3 95.24(7) 2_666 2_665
O1 Cu1 O1 179.998(1) 2_657 .
O1 Cu1 O10 90.27(16) 2_657 .
O1 Cu1 O10 89.73(16) . .
O1 Cu1 O10 89.73(16) 2_657 2_657
O1 Cu1 O10 90.27(16) . 2_657
O10 Cu1 O10 180.000(2) . 2_657
O12 Cu2 O6 93.42(11) . 1_655
O12 Cu2 O9 94.58(11) . .
O6 Cu2 O9 149.35(14) 1_655 .
O12 Cu2 O11 176.22(15) . .
O6 Cu2 O11 85.53(13) 1_655 .
O9 Cu2 O11 84.56(13) . .
O12 Cu2 O4 90.61(11) . 2_666
O6 Cu2 O4 109.59(14) 1_655 2_666
O9 Cu2 O4 99.87(13) . 2_666
O11 Cu2 O4 93.17(15) . 2_666
C1 O1 Cu1 113.6(3) . .
C8 O3 Cu3 123.6(3) . 2_666
C8 O4 Cu2 127.4(3) . 2_666
C5 O5 C9 118.4(3) . .
C16 O6 Cu2 134.9(3) . 1_455
C16 O7 Cu3 127.6(3) . 1_455
C16 O7 H7B 109.0 . .
Cu3 O7 H7B 19.7 1_455 .
C15 O8 Cu3 132.1(3) . 2_665
C15 O9 Cu2 132.5(3) . .
Cu1 O10 H10A 109.3 . .
Cu1 O10 H10B 109.4 . .
H10A O10 H10B 109.2 . .
Cu2 O11 H11A 109.2 . .
Cu2 O11 H11B 109.4 . .
H11A O11 H11B 109.5 . .
Cu2 O12 Cu3 117.96(12) . 2_665
Cu2 O12 Cu3 112.89(12) . .
Cu3 O12 Cu3 97.38(10) 2_665 .
Cu2 O12 H12A 109.1 . .
Cu3 O12 H12A 109.8 2_665 .
Cu3 O12 H12A 109.1 . .
Cu2 O12 H12B 108.9 . .
Cu3 O12 H12B 12.0 2_665 .
Cu3 O12 H12B 108.9 . .
H12A O12 H12B 107.9 . .
O2 C1 O1 123.0(4) . .
O2 C1 C2 120.8(4) . .
O1 C1 C2 116.2(3) . .
C7 C2 C3 118.3(4) . .
C7 C2 C1 119.5(4) . .
C3 C2 C1 122.2(3) . .
C4 C3 C2 120.3(3) . .
C4 C3 C8 115.9(3) . .
C2 C3 C8 123.7(3) . .
C5 C4 C3 119.4(3) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 O5 122.8(3) . .
C4 C5 C6 121.3(3) . .
O5 C5 C6 115.9(3) . .
C7 C6 C5 119.1(4) . .
C7 C6 H6 120.5 . .
C5 C6 H6 120.5 . .
C6 C7 C2 121.6(4) . .
C6 C7 H7 119.2 . .
C2 C7 H7 119.2 . .
O3 C8 O4 125.9(4) . .
O3 C8 C3 116.3(4) . .
O4 C8 C3 117.5(4) . .
C10 C9 C14 122.8(3) . .
C10 C9 O5 117.8(3) . .
C14 C9 O5 119.3(3) . .
C9 C10 C11 118.6(3) . .
C9 C10 H10 120.7 . .
C11 C10 H10 120.7 . .
C12 C11 C10 119.3(3) . .
C12 C11 C16 120.9(3) . .
C10 C11 C16 119.7(3) . .
C13 C12 C11 120.5(3) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 120.3(3) . .
C12 C13 C15 120.2(3) . .
C14 C13 C15 119.4(3) . .
C9 C14 C13 118.5(4) . .
C9 C14 H14 120.8 . .
C13 C14 H14 120.8 . .
O8 C15 O9 127.2(3) . .
O8 C15 C13 116.7(3) . .
O9 C15 C13 116.1(3) . .
O7 C16 O6 127.1(4) . .
O7 C16 C11 116.7(3) . .
O6 C16 C11 116.2(3) . .
H13B O13 H13A 111.3 . .
O14 O14 H14B 124.0 2_666 .
O14 O14 H14A 61.0 2_666 .
H14B O14 H14A 110.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu3 O7 1.941(3) 1_655
Cu3 O8 1.946(3) 2_665
Cu3 O12 1.979(2) 2_665
Cu3 O12 1.983(2) .
Cu3 O3 2.213(3) 2_666
Cu3 Cu3 2.9759(8) 2_665
Cu1 O1 1.926(3) 2_657
Cu1 O1 1.926(3) .
Cu1 O10 1.962(4) .
Cu1 O10 1.962(4) 2_657
Cu2 O12 1.922(2) .
Cu2 O6 1.948(3) 1_655
Cu2 O9 1.960(3) .
Cu2 O11 1.971(3) .
Cu2 O4 2.208(3) 2_666
O1 C1 1.273(5) .
O2 C1 1.251(5) .
O3 C8 1.253(5) .
O3 Cu3 2.213(3) 2_666
O4 C8 1.256(5) .
O4 Cu2 2.208(3) 2_666
O5 C5 1.379(4) .
O5 C9 1.412(4) .
O6 C16 1.254(5) .
O6 Cu2 1.948(3) 1_455
O7 C16 1.255(4) .
O7 Cu3 1.941(3) 1_455
O7 H7B 0.8500 .
O8 C15 1.250(5) .
O8 Cu3 1.946(3) 2_665
O9 C15 1.250(5) .
O10 H10A 0.8509 .
O10 H10B 0.8519 .
O11 H11A 0.9600 .
O11 H11B 0.9600 .
O12 Cu3 1.979(2) 2_665
O12 H12A 0.8499 .
O12 H12B 0.8499 .
C1 C2 1.496(5) .
C2 C7 1.397(5) .
C2 C3 1.402(5) .
C3 C4 1.397(5) .
C3 C8 1.521(5) .
C4 C5 1.376(5) .
C4 H4 0.9300 .
C5 C6 1.389(5) .
C6 C7 1.372(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C9 C10 1.369(5) .
C9 C14 1.381(5) .
C10 C11 1.402(5) .
C10 H10 0.9300 .
C11 C12 1.395(5) .
C11 C16 1.489(5) .
C12 C13 1.382(5) .
C12 H12 0.9300 .
C13 C14 1.383(5) .
C13 C15 1.506(5) .
C14 H14 0.9300 .
O13 H13B 0.8964 .
O13 H13A 0.9375 .
O14 O14 1.44(4) 2_666
O14 H14B 0.8269 .
O14 H14A 0.8648 .
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
O1 Cu1 O1 C1 -31(7) 2_657 .
O10 Cu1 O1 C1 77.8(3) . .
O10 Cu1 O1 C1 -102.2(3) 2_657 .
O12 Cu2 O9 C15 -32.5(4) . .
O6 Cu2 O9 C15 -137.1(4) 1_655 .
O11 Cu2 O9 C15 151.2(4) . .
O4 Cu2 O9 C15 59.0(4) 2_666 .
O6 Cu2 O12 Cu3 -163.18(15) 1_655 2_665
O9 Cu2 O12 Cu3 46.43(15) . 2_665
O11 Cu2 O12 Cu3 123.0(18) . 2_665
O4 Cu2 O12 Cu3 -53.51(14) 2_666 2_665
O6 Cu2 O12 Cu3 -50.73(15) 1_655 .
O9 Cu2 O12 Cu3 158.89(14) . .
O11 Cu2 O12 Cu3 -124.5(18) . .
O4 Cu2 O12 Cu3 58.94(14) 2_666 .
O7 Cu3 O12 Cu2 58.15(14) 1_655 .
O8 Cu3 O12 Cu2 144.8(3) 2_665 .
O12 Cu3 O12 Cu2 -124.60(17) 2_665 .
O3 Cu3 O12 Cu2 -38.96(14) 2_666 .
Cu3 Cu3 O12 Cu2 -124.60(17) 2_665 .
O7 Cu3 O12 Cu3 -177.26(12) 1_655 2_665
O8 Cu3 O12 Cu3 -90.6(3) 2_665 2_665
O12 Cu3 O12 Cu3 0.0 2_665 2_665
O3 Cu3 O12 Cu3 85.63(11) 2_666 2_665
Cu1 O1 C1 O2 6.1(6) . .
Cu1 O1 C1 C2 -176.1(3) . .
O2 C1 C2 C7 161.4(4) . .
O1 C1 C2 C7 -16.4(6) . .
O2 C1 C2 C3 -17.4(6) . .
O1 C1 C2 C3 164.7(4) . .
C7 C2 C3 C4 -2.2(6) . .
C1 C2 C3 C4 176.7(4) . .
C7 C2 C3 C8 173.7(4) . .
C1 C2 C3 C8 -7.5(6) . .
C2 C3 C4 C5 1.7(6) . .
C8 C3 C4 C5 -174.4(4) . .
C3 C4 C5 O5 177.4(3) . .
C3 C4 C5 C6 -0.3(6) . .
C9 O5 C5 C4 20.0(5) . .
C9 O5 C5 C6 -162.1(3) . .
C4 C5 C6 C7 -0.6(6) . .
O5 C5 C6 C7 -178.5(4) . .
C5 C6 C7 C2 0.1(6) . .
C3 C2 C7 C6 1.3(6) . .
C1 C2 C7 C6 -177.7(4) . .
Cu3 O3 C8 O4 -26.9(6) 2_666 .
Cu3 O3 C8 C3 159.6(2) 2_666 .
Cu2 O4 C8 O3 -13.8(6) 2_666 .
Cu2 O4 C8 C3 159.5(3) 2_666 .
C4 C3 C8 O3 107.8(4) . .
C2 C3 C8 O3 -68.2(5) . .
C4 C3 C8 O4 -66.2(5) . .
C2 C3 C8 O4 117.8(5) . .
C5 O5 C9 C10 -113.7(4) . .
C5 O5 C9 C14 70.2(4) . .
C14 C9 C10 C11 2.3(6) . .
O5 C9 C10 C11 -173.6(3) . .
C9 C10 C11 C12 0.1(6) . .
C9 C10 C11 C16 -177.3(3) . .
C10 C11 C12 C13 -2.5(6) . .
C16 C11 C12 C13 174.9(4) . .
C11 C12 C13 C14 2.6(6) . .
C11 C12 C13 C15 -178.5(4) . .
C10 C9 C14 C13 -2.2(6) . .
O5 C9 C14 C13 173.6(3) . .
C12 C13 C14 C9 -0.3(6) . .
C15 C13 C14 C9 -179.1(3) . .
Cu3 O8 C15 O9 10.6(7) 2_665 .
Cu3 O8 C15 C13 -169.3(3) 2_665 .
Cu2 O9 C15 O8 4.8(7) . .
Cu2 O9 C15 C13 -175.3(3) . .
C12 C13 C15 O8 -14.1(5) . .
C14 C13 C15 O8 164.8(4) . .
C12 C13 C15 O9 166.0(4) . .
C14 C13 C15 O9 -15.1(5) . .
Cu3 O7 C16 O6 6.9(6) 1_455 .
Cu3 O7 C16 C11 -172.2(2) 1_455 .
Cu2 O6 C16 O7 4.0(7) 1_455 .
Cu2 O6 C16 C11 -176.9(3) 1_455 .
C12 C11 C16 O7 23.7(5) . .
C10 C11 C16 O7 -158.9(4) . .
C12 C11 C16 O6 -155.6(4) . .
C10 C11 C16 O6 21.8(6) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.013 0.007 -0.020 398 68 ' '
2 0.371 0.382 0.465 7 2 ' '
3 0.629 0.618 0.535 7 2 ' '
