#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:46:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179154 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/15/4311514.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_4311514
loop_
_publ_author_name
'Andrew D. Sutton'
'Gordon H. John'
'Mark J. Sarsfield'
'Joanna C. Renshaw'
'Iain May'
'Leigh R. Martin'
'Andrew J. Selvage'
'David Collison'
'Madeleine Helliwell'
_publ_contact_author
;
    Madeleine Helliwell and Mark Sarsfield
;
_publ_section_title
;
 Spectroscopic Evidence for the Direct Coordination of the Pertechnetate
 Anion to the Uranyl Cation in [UO2(TcO4)(DPPMO2)2]+
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5480
_journal_page_last               5482
_journal_paper_doi               10.1021/ic049588r
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C51 H48 O15 P4 Re2 U'
_chemical_formula_weight         1635.20
_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                108.702(2)
_cell_angle_beta                 98.098(2)
_cell_angle_gamma                100.592(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8208(11)
_cell_length_b                   14.0952(15)
_cell_length_c                   19.307(2)
_cell_measurement_reflns_used    5617
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.41
_cell_volume                     2677.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18919
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    7.711
_exptl_absorpt_correction_T_max  0.5127
_exptl_absorpt_correction_T_min  0.4115
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Square
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         9.341
_refine_diff_density_min         -2.151
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         9307
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0453
_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)+(0.0512P)²+39.3828P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                8387
_reflns_number_total             9307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049588rsi20040709_010833_1.cif
_cod_data_source_block           ghj3bp-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2677.9(5)
_cod_database_code               4311514
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
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.48474(3) 0.59276(2) 0.275997(17) 0.01167(10) Uani 1 1 d . . .
Re1 Re 0.70501(3) 0.41813(3) 0.31786(2) 0.01776(11) Uani 1 1 d . . .
Re2 Re 0.78219(3) 0.13340(3) 0.19483(2) 0.01859(11) Uani 1 1 d . . .
P1 P 0.7517(2) 0.81870(17) 0.31098(13) 0.0135(4) Uani 1 1 d . . .
P2 P 0.4984(2) 0.82363(16) 0.22511(12) 0.0122(4) Uani 1 1 d . . .
P3 P 0.1571(2) 0.44746(16) 0.17045(12) 0.0119(4) Uani 1 1 d . . .
P4 P 0.2695(2) 0.35202(17) 0.27349(12) 0.0134(4) Uani 1 1 d . . .
O1 O 0.4327(6) 0.6390(5) 0.3605(3) 0.0186(13) Uani 1 1 d . . .
O2 O 0.5373(6) 0.5502(5) 0.1912(3) 0.0176(13) Uani 1 1 d . . .
O3 O 0.6748(6) 0.7312(5) 0.3282(3) 0.0176(13) Uani 1 1 d . . .
O4 O 0.4393(6) 0.7334(4) 0.2456(3) 0.0163(13) Uani 1 1 d . . .
O5 O 0.2723(5) 0.5388(4) 0.1998(3) 0.0125(12) Uani 1 1 d . . .
O6 O 0.3925(6) 0.4224(5) 0.2733(3) 0.0180(13) Uani 1 1 d . . .
O7 O 0.6500(6) 0.5309(5) 0.3281(4) 0.0203(14) Uani 1 1 d . . .
O8 O 0.8710(6) 0.4514(6) 0.3462(4) 0.0334(18) Uani 1 1 d . . .
O9 O 0.6363(7) 0.3565(5) 0.3706(4) 0.0300(16) Uani 1 1 d . . .
O10 O 0.6633(7) 0.3400(5) 0.2255(4) 0.0285(16) Uani 1 1 d . . .
O11 O 0.8883(7) 0.2057(6) 0.1622(4) 0.0307(17) Uani 1 1 d . . .
O12 O 0.7869(8) 0.2002(6) 0.2866(4) 0.0365(18) Uani 1 1 d . . .
O13 O 0.6315(6) 0.1041(5) 0.1411(4) 0.0264(15) Uani 1 1 d . . .
O14 O 0.8250(6) 0.0177(5) 0.1892(4) 0.0236(15) Uani 1 1 d . . .
C1 C 0.1304(8) 0.3924(7) 0.2413(5) 0.0130(17) Uani 1 1 d . . .
H1A H 0.1110 0.4443 0.2842 0.016 Uiso 1 1 calc R . .
H1B H 0.0550 0.3323 0.2205 0.016 Uiso 1 1 calc R . .
C2 C 0.6671(8) 0.8284(6) 0.2270(5) 0.0140(18) Uani 1 1 d . . .
H2A H 0.6747 0.7712 0.1831 0.017 Uiso 1 1 calc R . .
H2B H 0.7089 0.8941 0.2224 0.017 Uiso 1 1 calc R . .
C3 C 0.01352(13) 0.48370(13) 0.14302(10) 0.0136(17) Uani 1 1 d G . .
C4 C -0.10106(13) 0.45281(15) 0.16346(12) 0.0163(18) Uani 1 1 d G . .
H4 H -0.1063 0.4080 0.1912 0.020 Uiso 1 1 calc R . .
C5 C -0.20795(13) 0.48751(16) 0.14327(14) 0.024(2) Uani 1 1 d G . .
H5 H -0.2863 0.4664 0.1572 0.029 Uiso 1 1 calc R . .
C6 C -0.20025(14) 0.55310(17) 0.10264(14) 0.022(2) Uani 1 1 d G . .
H6 H -0.2733 0.5768 0.0888 0.027 Uiso 1 1 calc R . .
C7 C -0.08567(15) 0.58399(15) 0.08220(12) 0.022(2) Uani 1 1 d G . .
H7 H -0.0804 0.6288 0.0544 0.027 Uiso 1 1 calc R . .
C8 C 0.02122(14) 0.54929(14) 0.10240(10) 0.0195(19) Uani 1 1 d G . .
H8 H 0.0995 0.5704 0.0884 0.023 Uiso 1 1 calc R . .
C9 C 0.18016(16) 0.34938(11) 0.09144(9) 0.0134(17) Uani 1 1 d G . .
C10 C 0.08810(17) 0.25599(12) 0.05857(10) 0.0195(19) Uani 1 1 d G . .
H10 H 0.0127 0.2449 0.0778 0.023 Uiso 1 1 calc R . .
C11 C 0.1063(2) 0.17875(12) -0.00238(10) 0.024(2) Uani 1 1 d G . .
H11 H 0.0434 0.1149 -0.0248 0.029 Uiso 1 1 calc R . .
C12 C 0.2166(2) 0.19491(12) -0.03048(10) 0.026(2) Uani 1 1 d G . .
H12 H 0.2291 0.1421 -0.0721 0.031 Uiso 1 1 calc R . .
C13 C 0.30870(19) 0.28830(12) 0.00239(9) 0.022(2) Uani 1 1 d G . .
H13 H 0.3841 0.2993 -0.0168 0.026 Uiso 1 1 calc R . .
C14 C 0.29046(17) 0.36554(11) 0.06335(8) 0.0197(19) Uani 1 1 d G . .
H14 H 0.3534 0.4294 0.0858 0.024 Uiso 1 1 calc R . .
C15 C 0.25515(19) 0.22229(11) 0.21396(11) 0.0150(18) Uani 1 1 d G . .
C16 C 0.1527(2) 0.14412(12) 0.21061(12) 0.0198(19) Uani 1 1 d G . .
H16 H 0.0921 0.1595 0.2411 0.024 Uiso 1 1 calc R . .
C17 C 0.1389(2) 0.04351(11) 0.16265(13) 0.022(2) Uani 1 1 d G . .
H17 H 0.0689 -0.0099 0.1604 0.026 Uiso 1 1 calc R . .
C18 C 0.2276(2) 0.02106(11) 0.11804(14) 0.021(2) Uani 1 1 d G . .
H18 H 0.2182 -0.0477 0.0853 0.026 Uiso 1 1 calc R . .
C19 C 0.3300(2) 0.09923(11) 0.12138(13) 0.0200(19) Uani 1 1 d G . .
H19 H 0.3906 0.0839 0.0909 0.024 Uiso 1 1 calc R . .
C20 C 0.34381(19) 0.19985(11) 0.16934(11) 0.0181(19) Uani 1 1 d G . .
H20 H 0.4138 0.2533 0.1716 0.022 Uiso 1 1 calc R . .
C21 C 0.2548(2) 0.35039(14) 0.36427(10) 0.0170(18) Uani 1 1 d G . .
C22 C 0.3657(2) 0.37266(15) 0.41857(10) 0.023(2) Uani 1 1 d G . .
H22 H 0.4478 0.3931 0.4084 0.027 Uiso 1 1 calc R . .
C23 C 0.3563(3) 0.36505(17) 0.48775(11) 0.028(2) Uani 1 1 d G . .
H23 H 0.4321 0.3803 0.5249 0.034 Uiso 1 1 calc R . .
C24 C 0.2362(3) 0.33517(18) 0.50264(12) 0.030(2) Uani 1 1 d G . .
H24 H 0.2298 0.3300 0.5499 0.036 Uiso 1 1 calc R . .
C25 C 0.1254(2) 0.31290(17) 0.44834(12) 0.037(3) Uani 1 1 d G . .
H25 H 0.0432 0.2925 0.4585 0.045 Uiso 1 1 calc R . .
C26 C 0.1347(2) 0.32052(15) 0.37916(11) 0.025(2) Uani 1 1 d G . .
H26 H 0.0589 0.3053 0.3420 0.031 Uiso 1 1 calc R . .
C27 C 0.42772(17) 0.80777(12) 0.13151(9) 0.0136(17) Uani 1 1 d G . .
C28 C 0.31013(17) 0.73597(13) 0.09889(9) 0.023(2) Uani 1 1 d G . .
H28 H 0.2714 0.6980 0.1262 0.028 Uiso 1 1 calc R . .
C29 C 0.24926(19) 0.71970(14) 0.02623(10) 0.029(2) Uani 1 1 d G . .
H29 H 0.1689 0.6706 0.0039 0.035 Uiso 1 1 calc R . .
C30 C 0.3060(2) 0.77525(16) -0.01380(10) 0.023(2) Uani 1 1 d G . .
H30 H 0.2644 0.7641 -0.0635 0.027 Uiso 1 1 calc R . .
C31 C 0.4236(2) 0.84705(15) 0.01883(11) 0.021(2) Uani 1 1 d G . .
H31 H 0.4623 0.8850 -0.0085 0.025 Uiso 1 1 calc R . .
C32 C 0.48444(19) 0.86332(14) 0.09148(10) 0.0169(18) Uani 1 1 d G . .
H32 H 0.5648 0.9124 0.1138 0.020 Uiso 1 1 calc R . .
C33 C 0.47957(17) 0.94034(11) 0.28914(10) 0.0162(18) Uani 1 1 d G . .
C34 C 0.48700(19) 1.02870(11) 0.27097(12) 0.0195(19) Uani 1 1 d G . .
H34 H 0.4976 1.0265 0.2225 0.023 Uiso 1 1 calc R . .
C35 C 0.4789(2) 1.12022(11) 0.32369(13) 0.027(2) Uani 1 1 d G . .
H35 H 0.4840 1.1806 0.3113 0.032 Uiso 1 1 calc R . .
C36 C 0.4635(2) 1.12338(11) 0.39459(13) 0.035(3) Uani 1 1 d G . .
H36 H 0.4579 1.1859 0.4306 0.042 Uiso 1 1 calc R . .
C37 C 0.4560(2) 1.03503(11) 0.41276(11) 0.030(2) Uani 1 1 d G . .
H37 H 0.4454 1.0372 0.4612 0.036 Uiso 1 1 calc R . .
C38 C 0.46408(18) 0.94351(11) 0.36004(10) 0.020(2) Uani 1 1 d G . .
H38 H 0.4590 0.8831 0.3725 0.025 Uiso 1 1 calc R . .
C39 C 0.78159(16) 0.93975(13) 0.38629(10) 0.0163(18) Uani 1 1 d G . .
C40 C 0.78922(18) 1.03162(12) 0.37289(11) 0.0179(19) Uani 1 1 d G . .
H40 H 0.7779 1.0309 0.3230 0.021 Uiso 1 1 calc R . .
C41 C 0.8135(2) 1.12460(12) 0.43249(12) 0.028(2) Uani 1 1 d G . .
H41 H 0.8187 1.1874 0.4233 0.034 Uiso 1 1 calc R . .
C42 C 0.8301(2) 1.12572(13) 0.50549(12) 0.032(2) Uani 1 1 d G . .
H42 H 0.8466 1.1893 0.5462 0.038 Uiso 1 1 calc R . .
C43 C 0.8225(2) 1.03385(14) 0.51888(11) 0.036(3) Uani 1 1 d G . .
H43 H 0.8338 1.0346 0.5688 0.043 Uiso 1 1 calc R . .
C44 C 0.79821(18) 0.94086(14) 0.45929(10) 0.025(2) Uani 1 1 d G . .
H44 H 0.7930 0.8781 0.4684 0.030 Uiso 1 1 calc R . .
C45 C 0.90370(14) 0.79732(15) 0.29309(12) 0.0168(18) Uani 1 1 d G . .
C46 C 0.98365(14) 0.86398(16) 0.26930(13) 0.026(2) Uani 1 1 d G . .
H46 H 0.9557 0.9195 0.2597 0.032 Uiso 1 1 calc R . .
C47 C 1.10452(14) 0.84939(18) 0.25952(15) 0.030(2) Uani 1 1 d G . .
H47 H 1.1592 0.8950 0.2433 0.036 Uiso 1 1 calc R . .
C48 C 1.14544(13) 0.76815(19) 0.27354(16) 0.028(2) Uani 1 1 d G . .
H48 H 1.2281 0.7582 0.2669 0.034 Uiso 1 1 calc R . .
C49 C 1.06549(13) 0.70148(18) 0.29732(15) 0.025(2) Uani 1 1 d G . .
H49 H 1.0935 0.6460 0.3069 0.030 Uiso 1 1 calc R . .
C50 C 0.94462(13) 0.71607(16) 0.30710(13) 0.0183(19) Uani 1 1 d G . .
H50 H 0.8900 0.6705 0.3234 0.022 Uiso 1 1 calc R . .
C1S C 0.1966(12) 0.5951(9) 0.4736(6) 0.039(3) Uani 1 1 d . . .
H1S1 H 0.2755 0.6471 0.4803 0.058 Uiso 1 1 calc R . .
H1S2 H 0.2186 0.5314 0.4753 0.058 Uiso 1 1 calc R . .
H1S3 H 0.1516 0.6211 0.5137 0.058 Uiso 1 1 calc R . .
O1S O 0.1168(9) 0.5749(7) 0.4043(5) 0.052(2) Uani 1 1 d . . .
H1S H 0.1584 0.6008 0.3784 0.078 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'
P P 0.1023 0.0942 '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
O1 U1 O2 178.3(3) . . ?
O1 U1 O4 89.6(3) . . ?
O2 U1 O4 88.8(3) . . ?
O1 U1 O7 94.4(3) . . ?
O2 U1 O7 86.6(3) . . ?
O4 U1 O7 144.2(2) . . ?
O1 U1 O5 93.9(2) . . ?
O2 U1 O5 86.1(2) . . ?
O4 U1 O5 71.8(2) . . ?
O7 U1 O5 143.0(2) . . ?
O1 U1 O3 88.8(3) . . ?
O2 U1 O3 90.2(2) . . ?
O4 U1 O3 72.9(2) . . ?
O7 U1 O3 71.6(2) . . ?
O5 U1 O3 144.6(2) . . ?
O1 U1 O6 86.3(3) . . ?
O2 U1 O6 95.4(3) . . ?
O4 U1 O6 144.3(2) . . ?
O7 U1 O6 71.6(2) . . ?
O5 U1 O6 73.1(2) . . ?
O3 U1 O6 142.3(2) . . ?
O9 Re1 O10 110.2(3) . . ?
O9 Re1 O8 110.6(4) . . ?
O10 Re1 O8 108.8(4) . . ?
O9 Re1 O7 109.0(3) . . ?
O10 Re1 O7 109.0(3) . . ?
O8 Re1 O7 109.2(3) . . ?
O13 Re2 O12 111.4(4) . . ?
O13 Re2 O11 109.3(3) . . ?
O12 Re2 O11 109.5(4) . . ?
O13 Re2 O14 108.3(3) . . ?
O12 Re2 O14 108.0(3) . . ?
O11 Re2 O14 110.3(3) . . ?
O3 P1 C45 111.9(3) . . ?
O3 P1 C39 111.8(3) . . ?
C45 P1 C39 107.73(13) . . ?
O3 P1 C2 110.1(4) . . ?
C45 P1 C2 106.0(3) . . ?
C39 P1 C2 109.1(3) . . ?
O4 P2 C33 109.8(3) . . ?
O4 P2 C27 111.2(3) . . ?
C33 P2 C27 110.24(14) . . ?
O4 P2 C2 109.2(4) . . ?
C33 P2 C2 110.5(3) . . ?
C27 P2 C2 105.8(3) . . ?
O5 P3 C9 110.6(3) . . ?
O5 P3 C3 111.5(3) . . ?
C9 P3 C3 108.38(14) . . ?
O5 P3 C1 111.1(4) . . ?
C9 P3 C1 108.2(3) . . ?
C3 P3 C1 107.0(3) . . ?
O6 P4 C15 110.9(3) . . ?
O6 P4 C21 113.8(3) . . ?
C15 P4 C21 107.68(13) . . ?
O6 P4 C1 111.3(4) . . ?
C15 P4 C1 108.0(3) . . ?
C21 P4 C1 104.7(3) . . ?
P1 O3 U1 140.8(4) . . ?
P2 O4 U1 143.0(4) . . ?
P3 O5 U1 140.2(3) . . ?
P4 O6 U1 143.5(4) . . ?
Re1 O7 U1 142.2(3) . . ?
P4 C1 P3 111.2(4) . . ?
P1 C2 P2 113.4(4) . . ?
C4 C3 C8 120.0 . . ?
C4 C3 P3 122.74(8) . . ?
C8 C3 P3 117.19(8) . . ?
C3 C4 C5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C8 C7 C6 120.0 . . ?
C7 C8 C3 120.0 . . ?
C10 C9 C14 120.0 . . ?
C10 C9 P3 119.73(8) . . ?
C14 C9 P3 120.26(8) . . ?
C9 C10 C11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C11 C12 C13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C9 C14 C13 120.0 . . ?
C16 C15 C20 120.0 . . ?
C16 C15 P4 119.77(9) . . ?
C20 C15 P4 120.20(9) . . ?
C15 C16 C17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C19 C20 C15 120.0 . . ?
C22 C21 C26 120.0 . . ?
C22 C21 P4 119.21(9) . . ?
C26 C21 P4 120.65(9) . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C25 C26 C21 120.0 . . ?
C28 C27 C32 120.0 . . ?
C28 C27 P2 116.82(8) . . ?
C32 C27 P2 123.18(8) . . ?
C29 C28 C27 120.0 . . ?
C28 C29 C30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C30 C31 C32 120.0 . . ?
C31 C32 C27 120.0 . . ?
C34 C33 C38 120.0 . . ?
C34 C33 P2 121.39(8) . . ?
C38 C33 P2 118.52(8) . . ?
C33 C34 C35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C36 C37 C38 120.0 . . ?
C37 C38 C33 120.0 . . ?
C40 C39 C44 120.0 . . ?
C40 C39 P1 121.23(9) . . ?
C44 C39 P1 118.77(9) . . ?
C41 C40 C39 120.0 . . ?
C42 C41 C40 120.0 . . ?
C41 C42 C43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C43 C44 C39 120.0 . . ?
C46 C45 C50 120.0 . . ?
C46 C45 P1 120.78(9) . . ?
C50 C45 P1 119.13(9) . . ?
C47 C46 C45 120.0 . . ?
C46 C47 C48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C48 C49 C50 120.0 . . ?
C49 C50 C45 120.0 . . ?
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 O1 1.764(6) . ?
U1 O2 1.766(6) . ?
U1 O4 2.352(6) . ?
U1 O7 2.366(6) . ?
U1 O5 2.390(6) . ?
U1 O3 2.395(6) . ?
U1 O6 2.406(6) . ?
Re1 O9 1.699(7) . ?
Re1 O10 1.711(7) . ?
Re1 O8 1.731(7) . ?
Re1 O7 1.761(6) . ?
Re2 O13 1.705(7) . ?
Re2 O12 1.708(8) . ?
Re2 O11 1.715(7) . ?
Re2 O14 1.750(7) . ?
P1 O3 1.512(6) . ?
P1 C45 1.786(3) . ?
P1 C39 1.790(3) . ?
P1 C2 1.805(9) . ?
P2 O4 1.510(6) . ?
P2 C33 1.779(3) . ?
P2 C27 1.786(3) . ?
P2 C2 1.809(9) . ?
P3 O5 1.509(6) . ?
P3 C9 1.784(3) . ?
P3 C3 1.786(3) . ?
P3 C1 1.808(8) . ?
P4 O6 1.508(6) . ?
P4 C15 1.785(3) . ?
P4 C21 1.789(3) . ?
P4 C1 1.804(9) . ?
C3 C4 1.3900 . ?
C3 C8 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.3900 . ?
C9 C10 1.3900 . ?
C9 C14 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C15 C16 1.3900 . ?
C15 C20 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C33 C34 1.3900 . ?
C33 C38 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C39 C40 1.3900 . ?
C39 C44 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C45 C46 1.3900 . ?
C45 C50 1.3901 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C48 C49 1.3900 . ?
C49 C50 1.3900 . ?
C1S O1S 1.398(14) . ?
