#------------------------------------------------------------------------------
#$Date: 2024-07-05 16:37:17 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292828 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/30/7133063.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_7133063
loop_
_publ_author_name
'Shohel, Mohammad'
'Nyman, May'
_publ_section_title
;
 Uranyl-Tc(VII)/Tc(V) hybrid clusters.
;
_journal_issue                   45
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5820
_journal_page_last               5823
_journal_paper_doi               10.1039/d4cc01726a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C4 H18 O32 Re2 U5'
_chemical_formula_sum            'C4 H18 O32 Re2 U5'
_chemical_formula_weight         2140.73
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2023-10-03
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-02-11 deposited with the CCDC.	2024-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                94.029(3)
_cell_angle_beta                 99.086(3)
_cell_angle_gamma                109.920(3)
_cell_formula_units_Z            1
_cell_length_a                   7.7354(3)
_cell_length_b                   8.4717(3)
_cell_length_c                   12.7820(4)
_cell_measurement_reflns_used    6641
_cell_measurement_temperature    149.98(10)
_cell_measurement_theta_max      30.9270
_cell_measurement_theta_min      2.8480
_cell_volume                     770.66(5)
_computing_cell_refinement       'CrysAlisPro 1.171.41.121a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.121a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.121a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.98(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00 -17.00   0.50   70.00    --    4.12 -64.00 -71.00   98
  2  ω     -4.00  72.00   0.50   70.00    --    4.12  64.00  65.00  152
  3  ω    -70.00   5.00   0.50   70.00    --    4.12 -19.00 150.00  150
  4  ω    -12.00  22.00   0.50   70.00    --    4.12 -64.00 -71.00   68
  5  ω    -14.00  25.00   0.50   70.00    --    4.12 -99.00 -90.00   78
  6  ω    -15.00  23.00   0.50   70.00    --    4.12 -99.00  60.00   76
  7  ω    -14.00  11.00   0.50   70.00    --   -6.08 -99.00 -60.00   50
  8  ω    -39.00  14.00   0.50   70.00    --   -6.08 -77.00-120.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0099248000
_diffrn_orient_matrix_UB_12      -0.0538909000
_diffrn_orient_matrix_UB_13      -0.0418572000
_diffrn_orient_matrix_UB_21      0.0926588000
_diffrn_orient_matrix_UB_22      0.0567269000
_diffrn_orient_matrix_UB_23      0.0019995000
_diffrn_orient_matrix_UB_31      0.0346377000
_diffrn_orient_matrix_UB_32      -0.0441894000
_diffrn_orient_matrix_UB_33      0.0382038000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9602
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.861
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    34.100
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.121a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    4.613
_exptl_crystal_description       cube
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.309
_refine_diff_density_min         -1.420
_refine_diff_density_rms         0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3149
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0197
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0177P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0443
_refine_ls_wR_factor_ref         0.0455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2840
_reflns_number_total             3149
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc01726a2.cif
_cod_data_source_block           ui_36_ms_mo_auto
_cod_depositor_comments
'Adding full bibliography for 7133061--7133065.cif.'
_cod_database_code               7133063
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         UReO16C2
_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.
;
_reflns_odcompleteness_completeness 94.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 U3-H16A \\sim U3-H16B
 with sigma of 0.02
 U2-H12A \\sim U2-H12B
 with sigma of 0.02
3.a Free rotating group:
 O16(H16A,H16B), O12(H12A,H12B)
3.b Rotating group:
 O15(H15A,H15B)
3.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.096
_oxdiff_exptl_absorpt_empirical_full_min 0.531
loop_
_space_group_symop_operation_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_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
U1 U 0.500000 0.500000 0.500000 0.01076(8) Uani 1 2 d S . P . .
U2 U 0.50188(3) 0.35030(3) 0.78630(2) 0.00940(6) Uani 1 1 d D . . . .
U3 U 0.24547(3) 0.64361(3) 0.71340(2) 0.00975(6) Uani 1 1 d D . . . .
Re4 Re 0.84721(3) 0.09694(3) 0.87975(2) 0.01274(7) Uani 1 1 d . . . . .
O17 O 0.6895(6) 0.1757(6) 0.8098(3) 0.0183(10) Uani 1 1 d . . . . .
O15 O 0.0884(6) 0.8362(6) 0.6481(3) 0.0167(9) Uani 1 1 d . . . . .
H15A H 0.144055 0.939908 0.685931 0.025 Uiso 1 1 d R U . . .
H15B H -0.029106 0.804028 0.660585 0.025 Uiso 1 1 d R U . . .
O18 O 0.7670(6) 0.0066(6) 0.9882(3) 0.0193(10) Uani 1 1 d . . . . .
O7 O 0.5927(6) 0.2956(6) 0.6155(3) 0.0165(9) Uani 1 1 d . . . . .
O10 O 0.7132(6) 0.5267(6) 0.8363(3) 0.0178(10) Uani 1 1 d . . . . .
O5 O 0.4141(6) 0.4948(5) 0.6617(3) 0.0133(9) Uani 1 1 d . . . . .
O9 O 0.2922(6) 0.1679(5) 0.7454(3) 0.0162(9) Uani 1 1 d . . . . .
O11 O 0.3296(6) 0.5015(5) 0.8558(3) 0.0134(9) Uani 1 1 d . . . . .
O16 O 0.0932(6) 0.7052(6) 0.8549(3) 0.0176(9) Uani 1 1 d G . . . .
H16A H -0.025292 0.685298 0.832196 0.026 Uiso 1 1 d DG U . . .
H16B H 0.139633 0.811852 0.881427 0.026 Uiso 1 1 d DG U . . .
O13 O 0.0322(6) 0.4734(6) 0.6614(3) 0.0180(9) Uani 1 1 d . . . . .
O14 O 0.4452(6) 0.8235(6) 0.7715(3) 0.0174(9) Uani 1 1 d . . . . .
O12 O 0.4974(6) 0.2807(6) 0.9666(3) 0.0158(9) Uani 1 1 d G . . . .
H12A H 0.553338 0.352390 1.024177 0.024 Uiso 1 1 d DG U . . .
H12B H 0.403818 0.204756 0.985566 0.024 Uiso 1 1 d DG U . . .
O20 O 0.8884(7) -0.0465(6) 0.7958(3) 0.0258(11) Uani 1 1 d . . . . .
O6 O 0.7156(6) 0.6690(6) 0.5572(3) 0.0176(9) Uani 1 1 d . . . . .
O8 O 0.6834(6) 0.3051(6) 0.4633(3) 0.0169(10) Uani 1 1 d . . . . .
C22 C 0.7392(9) 0.0992(9) 0.5680(4) 0.0203(14) Uani 1 1 d . . . . .
H22A H 0.658445 0.021565 0.608527 0.030 Uiso 1 1 calc R U . . .
H22B H 0.868130 0.144331 0.608763 0.030 Uiso 1 1 calc R U . . .
H22C H 0.735620 0.038139 0.499245 0.030 Uiso 1 1 calc R U . . .
O19 O 1.0538(7) 0.2633(7) 0.9279(4) 0.0259(11) Uani 1 1 d . . . . .
C21 C 0.6737(9) 0.2363(8) 0.5499(4) 0.0158(13) Uani 1 1 d . . . . .
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'
Re Re -1.0185 7.2310 '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'
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
U2 U1 U2 180.0 . 2_666 ?
O7 U1 U2 142.93(9) 2_666 . ?
O7 U1 U2 37.07(9) . . ?
O7 U1 U2 37.07(9) 2_666 2_666 ?
O7 U1 U2 142.93(9) . 2_666 ?
O7 U1 O7 180.00(12) 2_666 . ?
O7 U1 O8 49.86(12) 2_666 2_666 ?
O7 U1 O8 130.14(12) . 2_666 ?
O7 U1 O8 130.14(12) 2_666 . ?
O7 U1 O8 49.86(12) . . ?
O7 U1 C21 24.98(13) 2_666 2_666 ?
O7 U1 C21 155.03(13) . 2_666 ?
O7 U1 C21 155.02(13) 2_666 . ?
O7 U1 C21 24.98(13) . . ?
O5 U1 U2 28.31(10) . . ?
O5 U1 U2 151.69(10) . 2_666 ?
O5 U1 U2 151.69(10) 2_666 . ?
O5 U1 U2 28.31(10) 2_666 2_666 ?
O5 U1 O7 114.90(13) 2_666 . ?
O5 U1 O7 114.90(13) . 2_666 ?
O5 U1 O7 65.10(13) 2_666 2_666 ?
O5 U1 O7 65.10(13) . . ?
O5 U1 O5 180.0 2_666 . ?
O5 U1 O8 114.94(12) 2_666 2_666 ?
O5 U1 O8 65.06(12) 2_666 . ?
O5 U1 O8 114.94(12) . . ?
O5 U1 O8 65.06(12) . 2_666 ?
O5 U1 C21 90.08(14) 2_666 2_666 ?
O5 U1 C21 89.92(14) 2_666 . ?
O5 U1 C21 90.08(14) . . ?
O5 U1 C21 89.92(14) . 2_666 ?
O6 U1 U2 92.66(13) 2_666 . ?
O6 U1 U2 87.34(13) . . ?
O6 U1 U2 92.66(13) . 2_666 ?
O6 U1 U2 87.34(13) 2_666 2_666 ?
O6 U1 O7 91.27(17) 2_666 2_666 ?
O6 U1 O7 88.73(17) . 2_666 ?
O6 U1 O7 91.27(17) . . ?
O6 U1 O7 88.73(17) 2_666 . ?
O6 U1 O5 90.22(17) . 2_666 ?
O6 U1 O5 89.78(17) 2_666 2_666 ?
O6 U1 O5 89.78(17) . . ?
O6 U1 O5 90.22(17) 2_666 . ?
O6 U1 O6 180.0 . 2_666 ?
O6 U1 O8 90.03(18) . . ?
O6 U1 O8 89.97(18) 2_666 . ?
O6 U1 O8 89.97(18) . 2_666 ?
O6 U1 O8 90.03(18) 2_666 2_666 ?
O6 U1 C21 91.58(19) 2_666 2_666 ?
O6 U1 C21 88.42(19) 2_666 . ?
O6 U1 C21 91.58(19) . . ?
O6 U1 C21 88.42(19) . 2_666 ?
O8 U1 U2 86.73(8) . . ?
O8 U1 U2 93.27(8) 2_666 . ?
O8 U1 U2 86.73(8) 2_666 2_666 ?
O8 U1 U2 93.27(8) . 2_666 ?
O8 U1 O8 180.0 2_666 . ?
O8 U1 C21 155.08(13) 2_666 . ?
O8 U1 C21 155.08(13) . 2_666 ?
O8 U1 C21 24.92(13) . . ?
O8 U1 C21 24.92(13) 2_666 2_666 ?
C21 U1 U2 118.02(10) 2_666 . ?
C21 U1 U2 61.98(10) . . ?
C21 U1 U2 118.02(10) . 2_666 ?
C21 U1 U2 61.98(10) 2_666 2_666 ?
C21 U1 C21 180.0 . 2_666 ?
U3 U2 U1 61.715(5) . . ?
O17 U2 U1 109.66(9) . . ?
O17 U2 U3 171.04(10) . . ?
O17 U2 O7 71.41(13) . . ?
O17 U2 O12 74.91(14) . . ?
O7 U2 U1 38.93(10) . . ?
O7 U2 U3 100.29(9) . . ?
O10 U2 U1 89.14(13) . . ?
O10 U2 U3 90.62(14) . . ?
O10 U2 O17 86.65(18) . . ?
O10 U2 O7 93.89(17) . . ?
O10 U2 O5 90.62(18) . . ?
O10 U2 O9 175.79(17) . . ?
O10 U2 O11 89.69(18) . . ?
O10 U2 O12 89.01(17) . . ?
O5 U2 U1 28.75(10) . . ?
O5 U2 U3 32.99(10) . . ?
O5 U2 O17 138.40(13) . . ?
O5 U2 O7 67.38(14) . . ?
O5 U2 O11 70.82(13) . . ?
O5 U2 O12 146.60(14) . . ?
O9 U2 U1 95.03(13) . . ?
O9 U2 U3 91.87(14) . . ?
O9 U2 O17 91.38(18) . . ?
O9 U2 O7 89.01(17) . . ?
O9 U2 O5 93.32(18) . . ?
O9 U2 O11 90.20(18) . . ?
O9 U2 O12 86.88(17) . . ?
O11 U2 U1 99.51(9) . . ?
O11 U2 U3 37.83(9) . . ?
O11 U2 O17 150.51(13) . . ?
O11 U2 O7 138.06(13) . . ?
O11 U2 O12 75.78(14) . . ?
O12 U2 U1 174.95(11) . . ?
O12 U2 U3 113.61(11) . . ?
O12 U2 O7 145.95(14) . . ?
U2 U3 U1 61.678(5) . . ?
O15 U3 U1 112.46(9) . . ?
O15 U3 U2 174.13(9) . . ?
O5 U3 U1 28.73(9) . . ?
O5 U3 U2 32.96(9) . . ?
O5 U3 O15 141.18(13) . . ?
O5 U3 O11 70.51(13) . . ?
O5 U3 O16 144.87(14) . . ?
O5 U3 O8 67.95(13) . 2_666 ?
O11 U3 U1 99.20(10) . . ?
O11 U3 U2 37.55(10) . . ?
O11 U3 O15 148.30(14) . . ?
O11 U3 O16 74.54(14) . . ?
O11 U3 O8 138.09(14) . 2_666 ?
O16 U3 U1 173.44(10) . . ?
O16 U3 U2 111.99(10) . . ?
O16 U3 O15 73.88(14) . . ?
O16 U3 O8 147.18(14) . 2_666 ?
O13 U3 U1 91.90(14) . . ?
O13 U3 U2 92.60(14) . . ?
O13 U3 O15 87.72(18) . . ?
O13 U3 O5 91.79(19) . . ?
O13 U3 O11 93.20(17) . . ?
O13 U3 O16 86.58(18) . . ?
O13 U3 O8 93.40(18) . 2_666 ?
O14 U3 U1 93.51(14) . . ?
O14 U3 U2 91.57(15) . . ?
O14 U3 O15 88.53(18) . . ?
O14 U3 O5 93.83(19) . . ?
O14 U3 O11 87.74(17) . . ?
O14 U3 O16 88.24(17) . . ?
O14 U3 O13 174.3(2) . . ?
O14 U3 O8 89.64(17) . 2_666 ?
O8 U3 U1 39.25(10) 2_666 . ?
O8 U3 U2 100.81(10) 2_666 . ?
O8 U3 O15 73.32(14) 2_666 . ?
O18 Re4 O17 111.5(2) . . ?
O20 Re4 O17 109.8(2) . . ?
O20 Re4 O18 110.7(2) . . ?
O20 Re4 O19 109.0(3) . . ?
O19 Re4 O17 108.2(2) . . ?
O19 Re4 O18 107.6(2) . . ?
Re4 O17 U2 155.9(2) . . ?
U3 O15 H15A 110.6 . . ?
U3 O15 H15B 111.1 . . ?
H15A O15 H15B 103.1 . . ?
U2 O7 U1 104.00(15) . . ?
C21 O7 U1 98.2(3) . . ?
C21 O7 U2 157.2(4) . . ?
U2 O5 U1 122.95(18) . . ?
U2 O5 U3 114.05(15) . . ?
U3 O5 U1 122.95(16) . . ?
U2 O11 U3 104.62(14) . . ?
U3 O16 H16A 112.3 . . ?
U3 O16 H16B 112.1 . . ?
H16A O16 H16B 104.5 . . ?
U2 O12 H12A 124.6 . . ?
U2 O12 H12B 124.4 . . ?
H12A O12 H12B 104.6 . . ?
U3 O8 U1 103.98(14) 2_666 . ?
C21 O8 U1 97.5(4) . . ?
C21 O8 U3 158.4(4) . 2_666 ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
O7 C21 U1 56.8(3) . . ?
O7 C21 C22 123.5(5) . . ?
O8 C21 U1 57.6(3) . . ?
O8 C21 O7 114.3(6) . . ?
O8 C21 C22 122.1(5) . . ?
C22 C21 U1 174.4(5) . . ?
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
U1 U2 3.9558(2) . ?
U1 U2 3.9558(2) 2_666 ?
U1 O7 2.562(4) 2_666 ?
U1 O7 2.562(4) . ?
U1 O5 2.267(4) 2_666 ?
U1 O5 2.267(4) . ?
U1 O6 1.791(5) . ?
U1 O6 1.791(5) 2_666 ?
U1 O8 2.580(4) . ?
U1 O8 2.580(4) 2_666 ?
U1 C21 3.030(7) 2_666 ?
U1 C21 3.030(7) . ?
U2 U3 3.7518(3) . ?
U2 O17 2.403(4) . ?
U2 O7 2.458(4) . ?
U2 O10 1.785(5) . ?
U2 O5 2.235(4) . ?
U2 O9 1.790(4) . ?
U2 O11 2.363(4) . ?
U2 O12 2.421(4) . ?
U3 O15 2.461(4) . ?
U3 O5 2.237(4) . ?
U3 O11 2.378(4) . ?
U3 O16 2.427(4) . ?
U3 O13 1.772(5) . ?
U3 O14 1.771(5) . ?
U3 O8 2.441(4) 2_666 ?
Re4 O17 1.739(4) . ?
Re4 O18 1.728(4) . ?
Re4 O20 1.708(4) . ?
Re4 O19 1.718(5) . ?
O15 H15A 0.8989 . ?
O15 H15B 0.8998 . ?
O7 C21 1.293(7) . ?
O16 H16A 0.8698 . ?
O16 H16B 0.8700 . ?
O12 H12A 0.8692 . ?
O12 H12B 0.8698 . ?
O8 C21 1.287(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 C21 1.435(9) . ?
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
U1 O7 C21 O8 3.4(6) . . . . ?
U1 O7 C21 C22 -173.4(6) . . . . ?
U1 O8 C21 O7 -3.4(6) . . . . ?
U1 O8 C21 C22 173.4(5) . . . . ?
U2 O7 C21 U1 -167.2(11) . . . . ?
U2 O7 C21 O8 -163.8(8) . . . . ?
U2 O7 C21 C22 19.5(15) . . . . ?
U3 O8 C21 U1 -174.2(12) 2_666 . . . ?
U3 O8 C21 O7 -177.7(8) 2_666 . . . ?
U3 O8 C21 C22 -0.8(16) 2_666 . . . ?
O18 Re4 O17 U2 59.3(7) . . . . ?
O20 Re4 O17 U2 -177.6(6) . . . . ?
O19 Re4 O17 U2 -58.8(6) . . . . ?
