#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:17:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179569 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/35/4503593.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_4503593
loop_
_publ_author_name
'Xue, Ming'
'Zhu, Guangshan'
'Li, Yangxue'
'Zhao, Xiaojun'
'Jin, Zhao'
'Kang, Enhua'
'Qiu, Shilun'
_publ_section_title
;
 Structure, Hydrogen Storage, and Luminescence Properties of Three 3D
 Metal−Organic Frameworks with NbO and PtS Topologies
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2478
_journal_paper_doi               10.1021/cg8001114
_journal_volume                  8
_journal_year                    2008
_chemical_formula_moiety         'C32 H12 Cu4 N4 O20'
_chemical_formula_sum            'C32 H12 Cu4 N4 O20'
_chemical_formula_weight         1026.62
_chemical_melting_point          ?
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   45.571(6)
_cell_length_b                   45.571(6)
_cell_length_c                   20.270(4)
_cell_measurement_temperature    293(2)
_cell_volume                     36455(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.907
_diffrn_measured_fraction_theta_max 0.907
_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  0.0947
_diffrn_reflns_av_sigmaI/netI    0.2751
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27323
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.13
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    0.842
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             9144
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         12954
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1897
_refine_ls_R_factor_gt           0.0923
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0119P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1516
_reflns_number_gt                3951
_reflns_number_total             12954
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8001114-file004.cif
_cod_data_source_block           JUC-62
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Trigonal' changed to 'trigonal' 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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4503593
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.43176(3) 0.06966(3) 0.32792(6) 0.0527(4) Uani 1 1 d .
Cu2 Cu 0.39694(3) 0.10103(3) 0.30228(6) 0.0581(4) Uani 1 1 d .
Cu3 Cu 0.53333(3) 0.27780(3) -0.01182(6) 0.0520(4) Uani 1 1 d .
Cu4 Cu 0.46675(3) 0.24626(3) 0.01250(6) 0.0479(3) Uani 1 1 d .
N1 N 0.5769(2) 0.1767(3) 0.1483(5) 0.104(3) Uani 1 1 d U
N2 N 0.5785(2) 0.1552(3) 0.1864(5) 0.105(4) Uani 1 1 d .
N3 N 0.3371(3) -0.0755(2) 0.1367(5) 0.104(4) Uani 1 1 d U
N4 N 0.3552(2) -0.0800(2) 0.1754(5) 0.084(3) Uani 1 1 d .
O1 O 0.46222(15) 0.10190(19) 0.2612(3) 0.069(2) Uani 1 1 d .
O2 O 0.43435(16) 0.13045(17) 0.2412(3) 0.075(2) Uani 1 1 d .
O3 O 0.53161(16) 0.24715(16) 0.0479(4) 0.079(3) Uani 1 1 d .
O4 O 0.4777(2) 0.22034(14) 0.0684(4) 0.093(3) Uani 1 1 d .
O5 O 0.69165(16) 0.22437(18) 0.0582(3) 0.066(2) Uani 1 1 d .
O6 O 0.72051(17) 0.19778(19) 0.0802(3) 0.078(2) Uani 1 1 d U
O7 O 0.6840(2) 0.12346(17) 0.2771(4) 0.102(3) Uani 1 1 d U
O8 O 0.62679(19) 0.09137(19) 0.2953(4) 0.090(3) Uani 1 1 d U
O9 O 0.40248(16) 0.03749(16) 0.2572(3) 0.066(2) Uani 1 1 d .
O10 O 0.37469(15) 0.06526(16) 0.2327(3) 0.065(2) Uani 1 1 d .
O11 O 0.29157(15) 0.0186(2) 0.0589(3) 0.088(3) Uani 1 1 d U
O12 O 0.26535(14) -0.03293(13) 0.0228(4) 0.070(2) Uani 1 1 d U
O13 O 0.28156(16) -0.19012(14) 0.0556(3) 0.0610(19) Uani 1 1 d .
O14 O 0.30511(16) -0.22289(15) 0.0774(3) 0.062(2) Uani 1 1 d .
O15 O 0.38790(15) -0.1866(2) 0.2643(4) 0.079(3) Uani 1 1 d U
O16 O 0.41886(14) -0.12915(15) 0.2777(3) 0.064(2) Uani 1 1 d .
O17 O 0.4632(2) 0.0466(2) 0.3412(4) 0.142(4) Uani 1 1 d .
O18 O 0.3631(2) 0.1209(3) 0.2816(4) 0.159(4) Uani 1 1 d .
O19 O 0.41310(14) 0.22404(18) 0.0318(4) 0.109(3) Uani 1 1 d .
O20 O 0.58580(18) 0.3031(2) -0.0320(4) 0.121(3) Uani 1 1 d U
C1 C 0.4587(3) 0.1240(3) 0.2329(5) 0.069(4) Uani 1 1 d .
C2 C 0.4867(2) 0.1503(2) 0.1908(5) 0.055(3) Uani 1 1 d .
C3 C 0.4851(3) 0.1749(3) 0.1562(5) 0.072(3) Uani 1 1 d .
H3 H 0.4653 0.1758 0.1590 0.087 Uiso 1 1 calc R
C4 C 0.5101(2) 0.1979(3) 0.1181(5) 0.058(3) Uani 1 1 d .
C5 C 0.5077(3) 0.2249(3) 0.0809(5) 0.054(3) Uani 1 1 d .
C6 C 0.5408(2) 0.1982(3) 0.1185(5) 0.082(4) Uani 1 1 d .
H6 H 0.5592 0.2142 0.0942 0.099 Uiso 1 1 calc R
C7 C 0.5431(2) 0.1743(3) 0.1558(6) 0.074(3) Uani 1 1 d .
C8 C 0.5165(3) 0.1503(3) 0.1977(6) 0.110(5) Uani 1 1 d .
H8 H 0.5192 0.1360 0.2268 0.132 Uiso 1 1 calc R
C9 C 0.6098(3) 0.1581(3) 0.1750(5) 0.068(3) Uani 1 1 d .
C10 C 0.6371(3) 0.1802(3) 0.1367(5) 0.081(4) Uani 1 1 d .
H10 H 0.6333 0.1942 0.1088 0.098 Uiso 1 1 calc R
C11 C 0.6713(4) 0.1845(4) 0.1343(6) 0.102(5) Uani 1 1 d .
C12 C 0.6967(3) 0.2017(3) 0.0857(6) 0.064(3) Uani 1 1 d U
C13 C 0.6732(2) 0.1590(2) 0.1750(5) 0.061(3) Uani 1 1 d .
H13 H 0.6921 0.1564 0.1706 0.073 Uiso 1 1 calc R
C14 C 0.6474(3) 0.1376(3) 0.2216(5) 0.085(4) Uani 1 1 d U
C15 C 0.6496(4) 0.1126(3) 0.2677(6) 0.077(4) Uani 1 1 d .
C16 C 0.6163(3) 0.1383(3) 0.2249(6) 0.100(4) Uani 1 1 d U
H16 H 0.6004 0.1264 0.2577 0.120 Uiso 1 1 calc R
C17 C 0.3820(3) 0.0404(3) 0.2240(5) 0.075(4) Uani 1 1 d .
C18 C 0.3592(3) 0.0122(3) 0.1811(5) 0.065(3) Uani 1 1 d .
C19 C 0.3362(3) 0.0174(2) 0.1416(5) 0.082(4) Uani 1 1 d .
H19 H 0.3352 0.0373 0.1439 0.098 Uiso 1 1 calc R
C20 C 0.3160(3) -0.0081(2) 0.1009(5) 0.072(3) Uani 1 1 d U
C21 C 0.2849(3) -0.0135(3) 0.0594(6) 0.072(3) Uani 1 1 d U
C22 C 0.3140(3) -0.0387(3) 0.1038(5) 0.090(4) Uani 1 1 d U
H22 H 0.2982 -0.0568 0.0788 0.108 Uiso 1 1 calc R
C23 C 0.3361(3) -0.0420(3) 0.1448(6) 0.093(4) Uani 1 1 d U
C24 C 0.3595(3) -0.0164(3) 0.1791(6) 0.088(4) Uani 1 1 d .
H24 H 0.3761 -0.0186 0.2016 0.106 Uiso 1 1 calc R
C25 C 0.3552(3) -0.1097(3) 0.1645(7) 0.099(4) Uani 1 1 d .
C26 C 0.3303(3) -0.1372(3) 0.1274(6) 0.092(4) Uani 1 1 d U
H26 H 0.3147 -0.1338 0.1041 0.111 Uiso 1 1 calc R
C27 C 0.3276(3) -0.1684(2) 0.1233(4) 0.067(3) Uani 1 1 d .
C28 C 0.3021(2) -0.1969(3) 0.0783(6) 0.072(4) Uani 1 1 d .
C29 C 0.3491(2) -0.1734(2) 0.1624(5) 0.061(3) Uani 1 1 d .
H29 H 0.3477 -0.1945 0.1620 0.074 Uiso 1 1 calc R
C30 C 0.3753(3) -0.1456(2) 0.2067(5) 0.080(4) Uani 1 1 d .
C31 C 0.3975(3) -0.1558(4) 0.2482(6) 0.080(4) Uani 1 1 d U
C32 C 0.3757(3) -0.1166(3) 0.2028(5) 0.072(3) Uani 1 1 d .
H32 H 0.3916 -0.0990 0.2288 0.087 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'
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'
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 84.8(3) 17 .
O7 Cu1 O9 169.0(3) 17 .
O1 Cu1 O9 91.0(3) . .
O7 Cu1 O11 94.3(3) 17 6
O1 Cu1 O11 166.4(3) . 6
O9 Cu1 O11 87.4(3) . 6
O7 Cu1 O17 95.0(4) 17 .
O1 Cu1 O17 93.2(3) . .
O9 Cu1 O17 95.4(3) . .
O11 Cu1 O17 100.4(3) 6 .
O7 Cu1 Cu2 85.3(2) 17 .
O1 Cu1 Cu2 81.5(2) . .
O9 Cu1 Cu2 84.0(2) . .
O11 Cu1 Cu2 84.9(2) 6 .
O17 Cu1 Cu2 174.7(2) . .
O12 Cu2 O8 95.7(3) 6 17
O12 Cu2 O2 165.1(3) 6 .
O8 Cu2 O2 86.3(3) 17 .
O12 Cu2 O10 83.4(3) 6 .
O8 Cu2 O10 167.4(3) 17 .
O2 Cu2 O10 91.5(3) . .
O12 Cu2 O18 95.7(3) 6 .
O8 Cu2 O18 101.0(4) 17 .
O2 Cu2 O18 98.4(3) . .
O10 Cu2 O18 91.5(3) . .
O12 Cu2 Cu1 78.85(18) 6 .
O8 Cu2 Cu1 83.5(2) 17 .
O2 Cu2 Cu1 86.75(18) . .
O10 Cu2 Cu1 84.01(17) . .
O18 Cu2 Cu1 173.3(3) . .
O3 Cu3 O15 81.9(3) . 8_544
O3 Cu3 O14 171.2(3) . 12
O15 Cu3 O14 93.3(3) 8_544 12
O3 Cu3 O5 93.0(3) . 3_665
O15 Cu3 O5 162.2(3) 8_544 3_665
O14 Cu3 O5 89.4(3) 12 3_665
O3 Cu3 O20 98.6(3) . .
O15 Cu3 O20 98.2(3) 8_544 .
O14 Cu3 O20 89.3(3) 12 .
O5 Cu3 O20 99.4(3) 3_665 .
O3 Cu3 Cu4 82.1(2) . .
O15 Cu3 Cu4 81.9(2) 8_544 .
O14 Cu3 Cu4 89.93(19) 12 .
O5 Cu3 Cu4 80.56(18) 3_665 .
O20 Cu3 Cu4 179.2(2) . .
O4 Cu4 O6 91.4(3) . 3_665
O4 Cu4 O16 85.5(3) . 8_544
O6 Cu4 O16 172.4(3) 3_665 8_544
O4 Cu4 O13 160.7(3) . 12
O6 Cu4 O13 88.6(3) 3_665 12
O16 Cu4 O13 91.9(3) 8_544 12
O4 Cu4 O19 101.0(3) . .
O6 Cu4 O19 91.0(3) 3_665 .
O16 Cu4 O19 96.4(3) 8_544 .
O13 Cu4 O19 98.3(3) 12 .
O4 Cu4 Cu3 82.0(2) . .
O6 Cu4 Cu3 86.51(18) 3_665 .
O16 Cu4 Cu3 86.16(18) 8_544 .
O13 Cu4 Cu3 78.69(18) 12 .
O19 Cu4 Cu3 176.1(2) . .
N2 N1 C7 109.6(9) . .
N1 N2 C9 106.1(9) . .
N4 N3 C23 116.5(9) . .
N3 N4 C25 113.0(10) . .
C1 O1 Cu1 126.5(7) . .
C1 O2 Cu2 118.1(6) . .
C5 O3 Cu3 131.8(7) . .
C5 O4 Cu4 127.4(7) . .
C12 O5 Cu3 122.3(7) . 2_655
C12 O6 Cu4 121.3(7) . 2_655
C15 O7 Cu1 117.6(7) . 18_545
C15 O8 Cu2 125.4(8) . 18_545
C17 O9 Cu1 125.8(7) . .
C17 O10 Cu2 122.7(6) . .
C21 O11 Cu1 115.3(7) . 8_544
C21 O12 Cu2 139.7(8) . 8_544
C28 O13 Cu4 121.9(7) . 11
C28 O14 Cu3 114.0(7) . 11
C31 O15 Cu3 125.1(7) . 6
C31 O16 Cu4 117.8(8) . 6
O1 C1 O2 127.0(9) . .
O1 C1 C2 120.5(11) . .
O2 C1 C2 111.9(9) . .
C3 C2 C8 121.3(10) . .
C3 C2 C1 125.4(10) . .
C8 C2 C1 112.7(9) . .
C4 C3 C2 124.8(10) . .
C3 C4 C6 117.4(10) . .
C3 C4 C5 123.6(9) . .
C6 C4 C5 118.8(10) . .
O3 C5 O4 116.4(10) . .
O3 C5 C4 123.2(9) . .
O4 C5 C4 118.1(10) . .
C7 C6 C4 118.1(9) . .
C6 C7 C8 124.1(9) . .
C6 C7 N1 111.8(9) . .
C8 C7 N1 124.2(10) . .
C2 C8 C7 113.5(11) . .
C10 C9 N2 132.1(10) . .
C10 C9 C16 116.7(9) . .
N2 C9 C16 109.7(11) . .
C9 C10 C11 128.5(10) . .
C12 C11 C13 118.1(11) . .
C12 C11 C10 128.0(10) . .
C13 C11 C10 110.8(12) . .
O6 C12 O5 128.4(11) . .
O6 C12 C11 122.5(12) . .
O5 C12 C11 108.4(11) . .
C14 C13 C11 123.6(10) . .
C16 C14 C13 119.7(10) . .
C16 C14 C15 115.1(10) . .
C13 C14 C15 125.1(11) . .
O8 C15 O7 127.8(11) . .
O8 C15 C14 124.1(12) . .
O7 C15 C14 107.5(12) . .
C14 C16 C9 118.7(11) . .
O9 C17 O10 123.3(10) . .
O9 C17 C18 118.8(11) . .
O10 C17 C18 116.8(9) . .
C24 C18 C19 121.3(10) . .
C24 C18 C17 122.4(11) . .
C19 C18 C17 116.2(9) . .
C20 C19 C18 116.1(9) . .
C19 C20 C22 121.9(10) . .
C19 C20 C21 130.1(10) . .
C22 C20 C21 105.8(9) . .
O12 C21 O11 119.9(10) . .
O12 C21 C20 139.5(12) . .
O11 C21 C20 97.9(10) . .
C20 C22 C23 117.8(10) . .
C24 C23 C22 122.2(11) . .
C24 C23 N3 121.2(10) . .
C22 C23 N3 115.3(10) . .
C18 C24 C23 119.6(11) . .
N4 C25 C32 118.1(12) . .
N4 C25 C26 124.6(11) . .
C32 C25 C26 115.7(12) . .
C27 C26 C25 124.9(11) . .
C29 C27 C26 116.0(9) . .
C29 C27 C28 120.3(9) . .
C26 C27 C28 123.8(11) . .
O13 C28 O14 134.0(10) . .
O13 C28 C27 111.1(11) . .
O14 C28 C27 114.5(10) . .
C27 C29 C30 122.3(9) . .
C32 C30 C29 114.2(9) . .
C32 C30 C31 130.4(10) . .
C29 C30 C31 115.4(9) . .
O16 C31 O15 127.4(11) . .
O16 C31 C30 105.9(12) . .
O15 C31 C30 123.0(10) . .
C30 C32 C25 126.7(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O7 1.931(8) 17
Cu1 O1 1.969(7) .
Cu1 O9 2.008(6) .
Cu1 O11 2.029(7) 6
Cu1 O17 2.178(7) .
Cu1 Cu2 2.6649(16) .
Cu2 O12 1.786(7) 6
Cu2 O8 1.927(7) 17
Cu2 O2 1.987(6) .
Cu2 O10 2.005(6) .
Cu2 O18 2.183(7) .
Cu3 O3 1.821(9) .
Cu3 O15 1.867(8) 8_544
Cu3 O14 1.918(6) 12
Cu3 O5 1.998(6) 3_665
Cu3 O20 2.111(7) .
Cu3 Cu4 2.6748(15) .
Cu4 O4 1.877(8) .
Cu4 O6 1.918(7) 3_665
Cu4 O16 1.934(6) 8_544
Cu4 O13 2.046(6) 12
Cu4 O19 2.163(6) .
N1 N2 1.279(10) .
N1 C7 1.496(11) .
N2 C9 1.385(11) .
N3 N4 1.228(10) .
N3 C23 1.560(13) .
N4 C25 1.368(13) .
O1 C1 1.236(11) .
O2 C1 1.294(13) .
O3 C5 1.247(11) .
O4 C5 1.301(10) .
O5 C12 1.292(12) .
O5 Cu3 1.998(6) 2_655
O6 C12 1.188(12) .
O6 Cu4 1.918(7) 2_655
O7 C15 1.400(13) .
O7 Cu1 1.932(8) 18_545
O8 C15 1.151(14) .
O8 Cu2 1.927(7) 18_545
O9 C17 1.209(10) .
O10 C17 1.345(12) .
O11 C21 1.340(12) .
O11 Cu1 2.029(7) 8_544
O12 C21 1.157(12) .
O12 Cu2 1.786(7) 8_544
O13 C28 1.216(11) .
O13 Cu4 2.046(6) 11
O14 C28 1.256(12) .
O14 Cu3 1.918(6) 11
O15 C31 1.288(13) .
O15 Cu3 1.866(8) 6
O16 C31 1.263(13) .
O16 Cu4 1.933(6) 6
C1 C2 1.507(12) .
C2 C3 1.352(12) .
C2 C8 1.363(12) .
C3 C4 1.342(12) .
C4 C6 1.390(11) .
C4 C5 1.491(13) .
C6 C7 1.373(12) .
C7 C8 1.438(13) .
C9 C10 1.381(13) .
C9 C16 1.479(13) .
C10 C11 1.471(14) .
C11 C12 1.421(15) .
C11 C13 1.466(13) .
C13 C14 1.441(12) .
C14 C16 1.438(13) .
C14 C15 1.515(14) .
C17 C18 1.466(13) .
C18 C24 1.307(12) .
C18 C19 1.433(12) .
C19 C20 1.344(12) .
C20 C22 1.352(12) .
C20 C21 1.559(14) .
C22 C23 1.372(12) .
C23 C24 1.318(13) .
C25 C32 1.368(12) .
C25 C26 1.414(14) .
C26 C27 1.365(12) .
C27 C29 1.365(12) .
C27 C28 1.536(13) .
C29 C30 1.524(12) .
C30 C32 1.317(12) .
C30 C31 1.553(14) .
