#------------------------------------------------------------------------------
#$Date: 2018-10-13 05:12:53 +0300 (Sat, 13 Oct 2018) $
#$Revision: 211454 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/16/7231658.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_7231658
loop_
_publ_author_name
'Ling, Jie'
'Lu, Huangjie'
'Wang, Yaxing'
'Johnson, Kenndra'
'Wang, Shuao'
_publ_section_title
;
 One-dimensional chain structures of hexanuclear uranium(iv) clusters
 bridged by formate ligands
;
_journal_issue                   61
_journal_name_full               'RSC Advances'
_journal_page_first              34947
_journal_paper_doi               10.1039/C8RA06330C
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C12 H18 O39 U6'
_chemical_formula_sum            'C12 H18 O39 U6'
_chemical_formula_weight         2214.45
_chemical_melting_point          ?
_chemical_name_common            'Uranium formic acid'
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-06-21 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.698(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.236(3)
_cell_length_b                   11.8211(16)
_cell_length_c                   16.322(2)
_cell_measurement_reflns_used    5124
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.24
_cell_volume                     3776.6(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEX-III '
_diffrn_measurement_method       '0.5 wide w/ exposures'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11345
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.536
_diffrn_reflns_theta_min         2.875
_diffrn_source                   'Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    25.760
_exptl_absorpt_correction_T_max  0.006
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SHELTXPREP
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    3.895
_exptl_crystal_description       Rhombus
_exptl_crystal_F_000             3816
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.555
_refine_diff_density_min         -1.355
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         4221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0151P)²+73.0952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0698
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3292
_reflns_number_total             4221
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra06330c2.cif
_cod_data_source_block           C12H18O39U6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'N/a' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        3776.7(9)
_cod_database_code               7231658
_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   0.018
_shelx_estimated_absorpt_t_max   0.079
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
U2 U 0.43218(2) 0.33052(3) 0.08566(2) 0.01716(9) Uani 1 1 d . . .
U1 U 0.5000 0.56261(4) 0.2500 0.01733(11) Uani 1 2 d S T P
U4 U 0.5000 0.10237(4) 0.2500 0.02526(13) Uani 1 2 d S T P
U3 U 0.62070(2) 0.33670(3) 0.20693(2) 0.02056(9) Uani 1 1 d . . .
O1 O 0.5182(4) 0.6726(5) 0.0337(4) 0.0335(17) Uani 1 1 d . . .
O2 O 0.4056(4) 0.1517(5) 0.0142(4) 0.0295(16) Uani 1 1 d . . .
O3 O 0.3965(3) 0.2053(5) 0.1836(4) 0.0230(14) Uani 1 1 d . . .
H3B H 0.3570 0.1577 0.1582 0.028 Uiso 1 1 calc R U .
O4 O 0.5275(3) 0.4622(5) 0.1316(3) 0.0178(13) Uani 1 1 d . . .
H4B H 0.5377 0.5099 0.0872 0.021 Uiso 1 1 calc R U .
O5 O 0.6035(4) 0.5083(6) 0.0041(4) 0.0342(16) Uani 1 1 d . . .
O6 O 0.4231(3) 0.4293(5) 0.1993(4) 0.0191(13) Uani 1 1 d . . .
O7 O 0.6048(4) 0.6539(6) 0.2391(5) 0.0389(18) Uani 1 1 d . . .
O8 O 0.3089(4) 0.3421(6) 0.0549(4) 0.0333(16) Uani 1 1 d . . .
O9 O 0.6728(4) 0.5232(6) 0.2039(4) 0.0331(16) Uani 1 1 d . . .
O10 O 0.4692(4) 0.7028(6) 0.1386(4) 0.0386(19) Uani 1 1 d . . .
O11 O 0.6414(4) 0.3481(6) 0.0685(5) 0.045(2) Uani 1 1 d . . .
O12 O 0.2788(3) 0.3408(7) 0.1774(4) 0.0370(18) Uani 1 1 d . . .
O13 O 0.5216(3) 0.2430(5) 0.1631(4) 0.0208(14) Uani 1 1 d . . .
O14 O 0.4523(4) 0.0197(5) 0.1092(4) 0.0391(19) Uani 1 1 d . . .
O15 O 0.6665(4) 0.1568(7) 0.1792(5) 0.047(2) Uani 1 1 d . . .
O16 O 0.5973(5) 0.0217(6) 0.2043(5) 0.050(2) Uani 1 1 d . . .
O17 O 0.5000 -0.1057(9) 0.2500 0.093(6) Uani 1 2 d S T P
H17A H 0.4890 -0.1451 0.2941 0.111 Uiso 0.5 1 calc R U P
H17B H 0.5110 -0.1451 0.2059 0.111 Uiso 0.5 1 calc R U P
C1 C 0.6573(6) 0.6202(10) 0.2201(7) 0.043(3) Uani 1 1 d . . .
H1A H 0.6893 0.6758 0.2179 0.052 Uiso 1 1 calc R U .
C2 C 0.6377(6) 0.4203(9) 0.0115(7) 0.039(3) Uani 1 1 d . . .
H2A H 0.6625 0.4069 -0.0283 0.047 Uiso 1 1 calc R U .
C3 C 0.2653(5) 0.3428(9) 0.0974(6) 0.033(2) Uani 1 1 d . . .
H3A H 0.2195 0.3450 0.0678 0.039 Uiso 1 1 calc R U .
C4 C 0.6497(8) 0.0564(12) 0.1866(7) 0.052(4) Uani 1 1 d . . .
H4A H 0.6801 0.0014 0.1780 0.062 Uiso 1 1 calc R U .
C5 C 0.4188(6) 0.0521(8) 0.0380(6) 0.034(3) Uani 1 1 d . . .
H5A H 0.4019 -0.0041 -0.0016 0.041 Uiso 1 1 calc R U .
C6 C 0.4910(7) 0.7341(9) 0.0766(7) 0.044(3) Uani 1 1 d . . .
H6A H 0.4862 0.8102 0.0619 0.053 Uiso 1 1 calc R U .
O1W O 0.830(2) 0.341(4) 0.153(3) 0.087(12) Uiso 0.3 1 d . . P
O2W O 0.7566(17) 0.180(3) 0.092(2) 0.086(9) Uiso 0.35 1 d . . P
O1WA O 0.7576(14) 0.344(2) 0.1751(18) 0.084(8) Uiso 0.4 1 d . . P
O3W O 0.2846(4) 0.0703(7) 0.1116(6) 0.057(2) Uiso 1 1 d . . .
O1WB O 0.826(2) 0.328(3) 0.100(3) 0.074(10) Uiso 0.3 1 d . . P
O2WA O 0.792(2) 0.297(3) 0.125(3) 0.078(11) Uiso 0.3 1 d . . P
O2WB O 0.7273(18) 0.133(3) 0.041(2) 0.091(10) Uiso 0.35 1 d . . P
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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'
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
O13 U2 O6 89.9(2) . .
O13 U2 O5 143.6(2) . 5_665
O6 U2 O5 90.9(2) . 5_665
O13 U2 O1 90.4(2) . 5_665
O6 U2 O1 144.8(2) . 5_665
O5 U2 O1 69.0(2) 5_665 5_665
O13 U2 O2 85.1(2) . .
O6 U2 O2 143.5(2) . .
O5 U2 O2 113.9(2) 5_665 .
O1 U2 O2 71.5(2) 5_665 .
O13 U2 O3 70.7(2) . .
O6 U2 O3 70.8(2) . .
O5 U2 O3 142.7(2) 5_665 .
O1 U2 O3 141.3(2) 5_665 .
O2 U2 O3 73.5(2) . .
O13 U2 O8 143.6(2) . .
O6 U2 O8 81.1(2) . .
O5 U2 O8 72.2(2) 5_665 .
O1 U2 O8 116.9(2) 5_665 .
O2 U2 O8 81.8(2) . .
O3 U2 O8 73.0(2) . .
O13 U2 O4 69.6(2) . .
O6 U2 O4 68.75(19) . .
O5 U2 O4 76.9(2) 5_665 .
O1 U2 O4 78.4(2) 5_665 .
O2 U2 O4 140.3(2) . .
O3 U2 O4 122.11(19) . .
O8 U2 O4 136.0(2) . .
O13 U2 U3 82.68(15) . 2_655
O6 U2 U3 31.93(14) . 2_655
O5 U2 U3 114.79(16) 5_665 2_655
O1 U2 U3 172.02(17) 5_665 2_655
O2 U2 U3 111.70(15) . 2_655
O3 U2 U3 39.17(14) . 2_655
O8 U2 U3 71.07(15) . 2_655
O4 U2 U3 95.35(13) . 2_655
O13 U2 U4 32.82(16) . .
O6 U2 U4 82.92(15) . .
O5 U2 U4 172.54(17) 5_665 .
O1 U2 U4 114.18(16) 5_665 .
O2 U2 U4 73.50(15) . .
O3 U2 U4 38.32(15) . .
O8 U2 U4 110.78(16) . .
O4 U2 U4 96.87(13) . .
U3 U2 U4 61.224(10) 2_655 .
O13 U2 U3 30.69(16) . .
O6 U2 U3 80.91(16) . .
O5 U2 U3 113.98(17) 5_665 .
O1 U2 U3 81.57(17) 5_665 .
O2 U2 U3 109.78(17) . .
O3 U2 U3 95.47(15) . .
O8 U2 U3 161.08(15) . .
O4 U2 U3 39.05(13) . .
U3 U2 U3 90.457(13) 2_655 .
U4 U2 U3 60.994(8) . .
O13 U2 U1 80.65(15) . .
O6 U2 U1 30.46(14) . .
O5 U2 U1 81.83(17) 5_665 .
O1 U2 U1 115.34(16) 5_665 .
O2 U2 U1 164.18(15) . .
O3 U2 U1 95.12(14) . .
O8 U2 U1 105.75(16) . .
O4 U2 U1 38.37(13) . .
U3 U2 U1 59.703(9) 2_655 .
U4 U2 U1 90.742(14) . .
U3 U2 U1 59.484(8) . .
O6 U1 O6 89.7(3) . 2_655
O6 U1 O10 141.9(2) . 2_655
O6 U1 O10 100.5(2) 2_655 2_655
O6 U1 O10 100.6(2) . .
O6 U1 O10 141.9(2) 2_655 .
O10 U1 O10 93.6(4) 2_655 .
O6 U1 O7 78.5(2) . 2_655
O6 U1 O7 146.2(2) 2_655 2_655
O10 U1 O7 72.8(3) 2_655 2_655
O10 U1 O7 71.8(2) . 2_655
O6 U1 O7 146.2(2) . .
O6 U1 O7 78.5(2) 2_655 .
O10 U1 O7 71.8(2) 2_655 .
O10 U1 O7 72.8(3) . .
O7 U1 O7 127.2(3) 2_655 .
O6 U1 O4 70.88(19) . 2_655
O6 U1 O4 68.9(2) 2_655 2_655
O10 U1 O4 78.8(2) 2_655 2_655
O10 U1 O4 149.0(2) . 2_655
O7 U1 O4 77.3(2) 2_655 2_655
O7 U1 O4 130.6(2) . 2_655
O6 U1 O4 68.9(2) . .
O6 U1 O4 70.88(19) 2_655 .
O10 U1 O4 149.0(2) 2_655 .
O10 U1 O4 78.8(2) . .
O7 U1 O4 130.6(2) 2_655 .
O7 U1 O4 77.3(2) . .
O4 U1 O4 122.0(3) 2_655 .
O6 U1 U3 31.68(14) . 2_655
O6 U1 U3 81.66(15) 2_655 2_655
O10 U1 U3 113.36(16) 2_655 2_655
O10 U1 U3 124.37(19) . 2_655
O7 U1 U3 71.59(17) 2_655 2_655
O7 U1 U3 160.10(18) . 2_655
O4 U1 U3 39.52(13) 2_655 2_655
O4 U1 U3 95.21(13) . 2_655
O6 U1 U3 81.66(15) . .
O6 U1 U3 31.68(14) 2_655 .
O10 U1 U3 124.37(19) 2_655 .
O10 U1 U3 113.36(16) . .
O7 U1 U3 160.10(18) 2_655 .
O7 U1 U3 71.59(17) . .
O4 U1 U3 95.21(13) 2_655 .
O4 U1 U3 39.52(13) . .
U3 U1 U3 90.792(17) 2_655 .
O6 U1 U2 81.14(15) . 2_655
O6 U1 U2 30.71(14) 2_655 2_655
O10 U1 U2 89.21(18) 2_655 2_655
O10 U1 U2 172.66(16) . 2_655
O7 U1 U2 115.52(17) 2_655 2_655
O7 U1 U2 101.82(18) . 2_655
O4 U1 U2 38.28(14) 2_655 2_655
O4 U1 U2 95.30(13) . 2_655
U3 U1 U2 60.100(12) 2_655 2_655
U3 U1 U2 59.654(11) . 2_655
O6 U1 U2 30.71(14) . .
O6 U1 U2 81.14(15) 2_655 .
O10 U1 U2 172.66(16) 2_655 .
O10 U1 U2 89.21(18) . .
O7 U1 U2 101.82(18) 2_655 .
O7 U1 U2 115.52(17) . .
O4 U1 U2 95.30(13) 2_655 .
O4 U1 U2 38.28(14) . .
U3 U1 U2 59.654(11) 2_655 .
U3 U1 U2 60.101(12) . .
U2 U1 U2 88.766(17) 2_655 .
O13 U4 O13 87.3(3) 2_655 .
O13 U4 O3 68.6(2) 2_655 .
O13 U4 O3 68.9(2) . .
O13 U4 O3 68.9(2) 2_655 2_655
O13 U4 O3 68.6(2) . 2_655
O3 U4 O3 119.8(3) . 2_655
O13 U4 O14 78.6(2) 2_655 2_655
O13 U4 O14 140.7(2) . 2_655
O3 U4 O14 135.0(2) . 2_655
O3 U4 O14 72.1(2) 2_655 2_655
O13 U4 O14 140.7(2) 2_655 .
O13 U4 O14 78.6(2) . .
O3 U4 O14 72.1(2) . .
O3 U4 O14 135.0(2) 2_655 .
O14 U4 O14 133.2(3) 2_655 .
O13 U4 O16 78.6(2) 2_655 2_655
O13 U4 O16 139.2(2) . 2_655
O3 U4 O16 70.4(2) . 2_655
O3 U4 O16 136.3(2) 2_655 2_655
O14 U4 O16 73.6(3) 2_655 2_655
O14 U4 O16 88.6(3) . 2_655
O13 U4 O16 139.2(2) 2_655 .
O13 U4 O16 78.6(2) . .
O3 U4 O16 136.3(2) . .
O3 U4 O16 70.4(2) 2_655 .
O14 U4 O16 88.6(3) 2_655 .
O14 U4 O16 73.6(3) . .
O16 U4 O16 134.5(4) 2_655 .
O13 U4 O17 136.34(14) 2_655 .
O13 U4 O17 136.34(14) . .
O3 U4 O17 120.09(14) . .
O3 U4 O17 120.09(14) 2_655 .
O14 U4 O17 66.58(15) 2_655 .
O14 U4 O17 66.58(15) . .
O16 U4 O17 67.3(2) 2_655 .
O16 U4 O17 67.3(2) . .
O13 U4 U2 31.06(15) 2_655 2_655
O13 U4 U2 80.28(14) . 2_655
O3 U4 U2 94.33(14) . 2_655
O3 U4 U2 38.18(14) 2_655 2_655
O14 U4 U2 68.71(15) 2_655 2_655
O14 U4 U2 157.89(15) . 2_655
O16 U4 U2 103.5(2) 2_655 2_655
O16 U4 U2 108.32(19) . 2_655
O17 U4 U2 135.126(9) . 2_655
O13 U4 U2 80.28(14) 2_655 .
O13 U4 U2 31.06(15) . .
O3 U4 U2 38.18(14) . .
O3 U4 U2 94.33(14) 2_655 .
O14 U4 U2 157.89(15) 2_655 .
O14 U4 U2 68.71(15) . .
O16 U4 U2 108.32(19) 2_655 .
O16 U4 U2 103.5(2) . .
O17 U4 U2 135.125(9) . .
U2 U4 U2 89.749(17) 2_655 .
O13 U4 U3 31.05(15) 2_655 2_655
O13 U4 U3 79.74(14) . 2_655
O3 U4 U3 37.82(14) . 2_655
O3 U4 U3 94.18(14) 2_655 2_655
O14 U4 U3 103.35(17) 2_655 2_655
O14 U4 U3 109.73(17) . 2_655
O16 U4 U3 68.5(2) 2_655 2_655
O16 U4 U3 156.9(2) . 2_655
O17 U4 U3 135.653(9) . 2_655
U2 U4 U3 59.772(11) 2_655 2_655
U2 U4 U3 59.329(11) . 2_655
O6 U3 O13 89.0(2) 2_655 .
O6 U3 O12 81.7(2) 2_655 2_655
O13 U3 O12 140.5(2) . 2_655
O6 U3 O11 144.0(2) 2_655 .
O13 U3 O11 94.8(3) . .
O12 U3 O11 115.1(3) 2_655 .
O6 U3 O15 142.9(2) 2_655 .
O13 U3 O15 81.9(3) . .
O12 U3 O15 82.9(3) 2_655 .
O11 U3 O15 72.9(2) . .
O6 U3 O9 79.7(2) 2_655 .
O13 U3 O9 142.4(2) . .
O12 U3 O9 73.4(2) 2_655 .
O11 U3 O9 75.6(2) . .
O15 U3 O9 127.1(3) . .
O6 U3 O3 70.0(2) 2_655 2_655
O13 U3 O3 68.9(2) . 2_655
O12 U3 O3 71.9(2) 2_655 2_655
O11 U3 O3 144.0(2) . 2_655
O15 U3 O3 73.2(2) . 2_655
O9 U3 O3 136.4(2) . 2_655
O6 U3 O4 70.24(19) 2_655 .
O13 U3 O4 68.3(2) . .
O12 U3 O4 140.2(2) 2_655 .
O11 U3 O4 77.9(2) . .
O15 U3 O4 136.0(2) . .
O9 U3 O4 74.2(2) . .
O3 U3 O4 120.7(2) 2_655 .
O6 U3 O1WA 131.2(6) 2_655 .
O13 U3 O1WA 139.7(6) . .
O12 U3 O1WA 59.4(6) 2_655 .
O11 U3 O1WA 55.8(6) . .
O15 U3 O1WA 64.5(6) . .
O9 U3 O1WA 62.6(6) . .
O3 U3 O1WA 117.4(6) 2_655 .
O4 U3 O1WA 121.9(5) . .
O6 U3 U2 31.90(14) 2_655 2_655
O13 U3 U2 80.98(15) . 2_655
O12 U3 U2 70.94(15) 2_655 2_655
O11 U3 U2 173.55(19) . 2_655
O15 U3 U2 111.05(18) . 2_655
O9 U3 U2 104.80(16) . 2_655
O3 U3 U2 38.43(13) 2_655 2_655
O4 U3 U2 95.91(13) . 2_655
O1WA U3 U2 130.3(6) . 2_655
O6 U3 U1 31.38(15) 2_655 .
O13 U3 U1 80.88(15) . .
O12 U3 U1 107.24(18) 2_655 .
O11 U3 U1 114.05(16) . .
O15 U3 U1 161.9(2) . .
O9 U3 U1 70.85(16) . .
O3 U3 U1 95.35(14) 2_655 .
O4 U3 U1 39.16(12) . .
O1WA U3 U1 133.5(5) . .
U2 U3 U1 60.642(8) 2_655 .
O6 U3 U2 81.22(16) 2_655 .
O13 U3 U2 29.83(14) . .
O12 U3 U2 160.43(15) 2_655 .
O11 U3 U2 84.4(2) . .
O15 U3 U2 105.4(2) . .
O9 U3 U2 112.61(17) . .
O3 U3 U2 93.29(15) 2_655 .
O4 U3 U2 38.60(13) . .
O1WA U3 U2 140.2(6) . .
U2 U3 U2 89.499(13) 2_655 .
U1 U3 U2 60.415(10) . .
C6 O1 U2 143.9(7) . 5_665
C5 O2 U2 132.3(6) . .
U2 O3 U4 103.5(2) . .
U2 O3 U3 102.4(2) . 2_655
U4 O3 U3 104.9(2) . 2_655
U2 O4 U1 103.4(2) . .
U2 O4 U3 102.4(2) . .
U1 O4 U3 101.3(2) . .
C2 O5 U2 143.2(7) . 5_665
U1 O6 U2 118.8(2) . .
U1 O6 U3 116.9(2) . 2_655
U2 O6 U3 116.2(2) . 2_655
C1 O7 U1 133.9(7) . .
C3 O8 U2 136.0(6) . .
C1 O9 U3 134.2(7) . .
C6 O10 U1 136.8(7) . .
C2 O11 U3 138.2(7) . .
C3 O12 U3 137.0(6) . 2_655
U2 O13 U3 119.5(3) . .
U2 O13 U4 116.1(3) . .
U3 O13 U4 117.1(2) . .
C5 O14 U4 137.8(6) . .
C4 O15 U3 133.9(8) . .
C4 O16 U4 137.7(8) . .
O9 C1 O7 129.0(11) . .
O5 C2 O11 125.0(10) . .
O8 C3 O12 125.0(9) . .
O16 C4 O15 127.5(11) . .
O14 C5 O2 127.1(9) . .
O1 C6 O10 125.6(10) . .
O1WB O1W O2WA 64(4) . .
O1WB O1W O1WA 112(5) . .
O2WA O1W O1WA 56(4) . .
O2WB O2W O2WA 148(4) . .
O2WA O1WA O1W 36(2) . .
O2WA O1WA U3 140(2) . .
O1W O1WA U3 176(2) . .
O1W O1WB O2WA 63(4) . .
O1W O2WA O1WB 53(4) . .
O1W O2WA O1WA 88(5) . .
O1WB O2WA O1WA 131(5) . .
O1W O2WA O2W 153(5) . .
O1WB O2WA O2W 120(5) . .
O1WA O2WA O2W 108(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U2 O13 2.187(6) .
U2 O6 2.238(5) .
U2 O5 2.399(7) 5_665
U2 O1 2.407(6) 5_665
U2 O2 2.408(6) .
U2 O3 2.419(6) .
U2 O8 2.420(7) .
U2 O4 2.444(6) .
U2 U3 3.8011(6) 2_655
U2 U4 3.8058(6) .
U2 U3 3.8270(7) .
U2 U1 3.8390(6) .
U1 O6 2.222(6) .
U1 O6 2.222(6) 2_655
U1 O10 2.421(6) 2_655
U1 O10 2.422(6) .
U1 O7 2.426(7) 2_655
U1 O7 2.426(7) .
U1 O4 2.449(5) 2_655
U1 O4 2.449(5) .
U1 U3 3.8030(6) 2_655
U1 U3 3.8031(6) .
U1 U2 3.8389(6) 2_655
U4 O13 2.297(6) 2_655
U4 O13 2.297(6) .
U4 O3 2.427(6) .
U4 O3 2.427(6) 2_655
U4 O14 2.458(7) 2_655
U4 O14 2.458(7) .
U4 O16 2.468(9) 2_655
U4 O16 2.468(9) .
U4 O17 2.460(11) .
U4 U2 3.8057(6) 2_655
U4 U3 3.8736(6) 2_655
U3 O6 2.240(5) 2_655
U3 O13 2.244(6) .
U3 O12 2.400(7) 2_655
U3 O11 2.403(7) .
U3 O15 2.408(7) .
U3 O9 2.449(7) .
U3 O3 2.458(6) 2_655
U3 O4 2.468(6) .
U3 O1WA 2.95(3) .
U3 U2 3.8012(6) 2_655
O1 C6 1.231(11) .
O1 U2 2.407(6) 5_665
O2 C5 1.248(11) .
O3 U3 2.458(6) 2_655
O5 C2 1.238(12) .
O5 U2 2.399(7) 5_665
O6 U3 2.240(5) 2_655
O7 C1 1.245(13) .
O8 C3 1.254(12) .
O9 C1 1.235(13) .
O10 C6 1.258(12) .
O11 C2 1.251(12) .
O12 C3 1.264(12) .
O12 U3 2.399(7) 2_655
O14 C5 1.247(12) .
O15 C4 1.249(16) .
O16 C4 1.237(16) .
O1W O1WB 0.85(5) .
O1W O2WA 0.95(5) .
O1W O1WA 1.61(5) .
O2W O2WB 1.06(4) .
O2W O2WA 1.58(5) .
O1WA O2WA 1.33(4) .
O1WB O2WA 0.95(5) .
