#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:29:08 +0100 (vie 25 de mar de 2016) $
#$Revision: 180081 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/27/7052720.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_7052720
loop_
_publ_author_name
'Frey, Alistair S. P.'
'Cloke, F. Geoffrey N.'
'Hitchcock, Peter B.'
'Green, Jennifer C.'
_publ_section_title
;
 Activation of P4 by U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)(THF); the
 X-ray structure of
 [U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)]2(μ-η2:η2-P4)
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2022
_journal_paper_doi               10.1039/c1nj20163h
_journal_volume                  35
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C72 H126 P4 Si4 U2'
_chemical_formula_sum            'C72 H126 P4 Si4 U2'
_chemical_formula_weight         1704.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-06-20T15:09:40-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 111.011(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.0558(4)
_cell_length_b                   20.5033(4)
_cell_length_c                   13.3843(3)
_cell_measurement_reflns_used    29169
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     3856.94(16)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.432862E-1
_diffrn_orient_matrix_UB_12      0.409974E-1
_diffrn_orient_matrix_UB_13      -0.117807E-1
_diffrn_orient_matrix_UB_21      -0.413397E-1
_diffrn_orient_matrix_UB_22      -0.147978E-1
_diffrn_orient_matrix_UB_23      -0.663607E-1
_diffrn_orient_matrix_UB_31      -0.531329E-1
_diffrn_orient_matrix_UB_32      -0.218863E-1
_diffrn_orient_matrix_UB_33      0.228004E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29970
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         3.4
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    4.376
_exptl_absorpt_correction_T_max  0.7581
_exptl_absorpt_correction_T_min  0.5814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         7550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.057
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0112P)²+8.9073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0649
_reflns_number_gt                6039
_reflns_number_total             7550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1nj20163h.txt
_cod_data_source_block           jun1507
_cod_original_cell_volume        3856.94(15)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7052720
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U U 0.266357(11) 0.548030(8) 0.440945(12) 0.01265(6) Uani 1 1 d .
P1 P 0.46603(9) 0.56720(6) 0.45349(9) 0.0195(3) Uani 1 1 d .
P2 P 0.46102(9) 0.51253(6) 0.58831(10) 0.0202(3) Uani 1 1 d .
Si1 Si 0.25051(9) 0.34224(6) 0.53258(10) 0.0187(3) Uani 1 1 d .
Si2 Si 0.24568(9) 0.54810(7) 0.10915(9) 0.0194(3) Uani 1 1 d .
C1 C 0.2258(3) 0.4192(2) 0.4463(3) 0.0178(10) Uani 1 1 d .
C2 C 0.2789(3) 0.4265(2) 0.3775(3) 0.0155(10) Uani 1 1 d .
H2 H 0.3292 0.3957 0.3938 0.019 Uiso 1 1 calc R
C3 C 0.2767(3) 0.4675(2) 0.2917(3) 0.0153(10) Uani 1 1 d .
H3 H 0.327 0.4572 0.2673 0.018 Uiso 1 1 calc R
C4 C 0.2208(3) 0.5194(2) 0.2318(3) 0.0182(10) Uani 1 1 d .
C5 C 0.1392(3) 0.5497(2) 0.2412(3) 0.0190(10) Uani 1 1 d .
H5 H 0.1163 0.5839 0.1905 0.023 Uiso 1 1 calc R
C6 C 0.0830(3) 0.5427(2) 0.3055(3) 0.0209(10) Uani 1 1 d .
H6 H 0.0297 0.5712 0.2841 0.025 Uiso 1 1 calc R
C7 C 0.0874(3) 0.5038(2) 0.3932(3) 0.0189(10) Uani 1 1 d .
H7 H 0.037 0.5131 0.4181 0.023 Uiso 1 1 calc R
C8 C 0.1475(3) 0.4548(2) 0.4529(3) 0.0191(10) Uani 1 1 d .
H8 H 0.132 0.4421 0.513 0.023 Uiso 1 1 calc R
C9 C 0.2761(4) 0.3572(3) 0.6806(4) 0.0291(12) Uani 1 1 d .
H9 H 0.2914 0.3132 0.7147 0.035 Uiso 1 1 calc R
C10 C 0.3651(4) 0.3978(3) 0.7345(4) 0.0485(17) Uani 1 1 d .
H10A H 0.3537 0.4428 0.7081 0.073 Uiso 1 1 calc R
H10B H 0.4183 0.3794 0.7179 0.073 Uiso 1 1 calc R
H10C H 0.3807 0.3975 0.8122 0.073 Uiso 1 1 calc R
C11 C 0.1939(5) 0.3826(3) 0.7120(4) 0.0495(17) Uani 1 1 d .
H11A H 0.2119 0.3805 0.7899 0.074 Uiso 1 1 calc R
H11B H 0.1373 0.3557 0.6778 0.074 Uiso 1 1 calc R
H11C H 0.18 0.4279 0.6882 0.074 Uiso 1 1 calc R
C12 C 0.1345(4) 0.2950(2) 0.4803(4) 0.0311(13) Uani 1 1 d .
H12 H 0.088 0.3217 0.5008 0.037 Uiso 1 1 calc R
C13 C 0.0906(4) 0.2887(3) 0.3579(5) 0.0479(16) Uani 1 1 d .
H13A H 0.1295 0.2591 0.3331 0.072 Uiso 1 1 calc R
H13B H 0.0884 0.3316 0.3252 0.072 Uiso 1 1 calc R
H13C H 0.0259 0.2712 0.3375 0.072 Uiso 1 1 calc R
C14 C 0.1380(5) 0.2289(3) 0.5346(6) 0.0596(19) Uani 1 1 d .
H14A H 0.0736 0.2109 0.5133 0.089 Uiso 1 1 calc R
H14B H 0.1643 0.2345 0.6125 0.089 Uiso 1 1 calc R
H14C H 0.1785 0.199 0.5128 0.089 Uiso 1 1 calc R
C15 C 0.3547(4) 0.2956(2) 0.5211(4) 0.0261(12) Uani 1 1 d .
H15 H 0.4046 0.3287 0.5252 0.031 Uiso 1 1 calc R
C16 C 0.3325(4) 0.2595(3) 0.4128(4) 0.0351(13) Uani 1 1 d .
H16A H 0.391 0.2401 0.41 0.053 Uiso 1 1 calc R
H16B H 0.3068 0.2906 0.3538 0.053 Uiso 1 1 calc R
H16C H 0.2855 0.2251 0.4062 0.053 Uiso 1 1 calc R
C17 C 0.4011(4) 0.2468(3) 0.6135(4) 0.0431(15) Uani 1 1 d .
H17A H 0.3534 0.2151 0.6164 0.065 Uiso 1 1 calc R
H17B H 0.4259 0.2705 0.6814 0.065 Uiso 1 1 calc R
H17C H 0.4534 0.224 0.601 0.065 Uiso 1 1 calc R
C18 C 0.1390(4) 0.5210(3) -0.0082(4) 0.0367(14) Uani 1 1 d .
H18 H 0.0834 0.5452 -0.0026 0.044 Uiso 1 1 calc R
C19 C 0.1445(5) 0.5400(3) -0.1179(4) 0.060(2) Uani 1 1 d .
H19A H 0.1969 0.5163 -0.1287 0.09 Uiso 1 1 calc R
H19B H 0.1557 0.5871 -0.1193 0.09 Uiso 1 1 calc R
H19C H 0.0845 0.5288 -0.1752 0.09 Uiso 1 1 calc R
C20 C 0.1146(4) 0.4482(3) -0.0082(4) 0.0465(16) Uani 1 1 d .
H20A H 0.0547 0.4392 -0.0673 0.07 Uiso 1 1 calc R
H20B H 0.1077 0.4369 0.0598 0.07 Uiso 1 1 calc R
H20C H 0.1656 0.422 -0.0172 0.07 Uiso 1 1 calc R
C21 C 0.3622(4) 0.5142(3) 0.1091(4) 0.0364(14) Uani 1 1 d .
H21 H 0.4089 0.52 0.1836 0.044 Uiso 1 1 calc R
C22 C 0.3632(5) 0.4406(3) 0.0835(4) 0.0517(18) Uani 1 1 d .
H22A H 0.3255 0.4331 0.0078 0.078 Uiso 1 1 calc R
H22B H 0.3358 0.4157 0.128 0.078 Uiso 1 1 calc R
H22C H 0.4288 0.4264 0.0985 0.078 Uiso 1 1 calc R
C23 C 0.4030(5) 0.5534(4) 0.0347(5) 0.061(2) Uani 1 1 d .
H23A H 0.4671 0.5377 0.0449 0.092 Uiso 1 1 calc R
H23B H 0.4057 0.5999 0.0528 0.092 Uiso 1 1 calc R
H23C H 0.3616 0.5473 -0.0402 0.092 Uiso 1 1 calc R
C24 C 0.2539(5) 0.6397(3) 0.1017(4) 0.0413(15) Uani 1 1 d .
H24 H 0.2673 0.6482 0.0349 0.05 Uiso 1 1 calc R
C25 C 0.1654(6) 0.6787(3) 0.0885(7) 0.087(3) Uani 1 1 d .
H25A H 0.1507 0.6756 0.154 0.13 Uiso 1 1 calc R
H25B H 0.112 0.6613 0.0281 0.13 Uiso 1 1 calc R
H25C H 0.1759 0.7244 0.0748 0.13 Uiso 1 1 calc R
C26 C 0.3419(7) 0.6660(3) 0.1931(5) 0.096(3) Uani 1 1 d .
H26A H 0.3459 0.7134 0.1859 0.143 Uiso 1 1 calc R
H26B H 0.3994 0.6455 0.1894 0.143 Uiso 1 1 calc R
H26C H 0.3362 0.6558 0.2622 0.143 Uiso 1 1 calc R
C27 C 0.1965(5) 0.6687(3) 0.4634(4) 0.0440(17) Uani 1 1 d .
C28 C 0.2922(5) 0.6815(3) 0.4840(4) 0.0407(16) Uani 1 1 d .
C29 C 0.3455(3) 0.6515(2) 0.5811(4) 0.0263(12) Uani 1 1 d .
C30 C 0.2826(4) 0.6205(2) 0.6208(4) 0.0239(12) Uani 1 1 d .
C31 C 0.1900(4) 0.6306(3) 0.5493(4) 0.0346(14) Uani 1 1 d .
C32 C 0.1122(6) 0.7000(4) 0.3755(6) 0.103(4) Uani 1 1 d .
H32A H 0.1119 0.7471 0.3883 0.154 Uiso 1 1 calc R
H32B H 0.0528 0.6808 0.3761 0.154 Uiso 1 1 calc R
H32C H 0.1179 0.6923 0.3058 0.154 Uiso 1 1 calc R
C33 C 0.3322(8) 0.7301(3) 0.4269(6) 0.098(4) Uani 1 1 d .
H33A H 0.2824 0.7432 0.3597 0.147 Uiso 1 1 calc R
H33B H 0.3852 0.7103 0.4117 0.147 Uiso 1 1 calc R
H33C H 0.355 0.7686 0.4724 0.147 Uiso 1 1 calc R
C34 C 0.4485(4) 0.6667(3) 0.6453(6) 0.063(2) Uani 1 1 d .
H34A H 0.4832 0.673 0.5966 0.094 Uiso 1 1 calc R
H34B H 0.4767 0.6303 0.6938 0.094 Uiso 1 1 calc R
H34C H 0.4522 0.7065 0.6871 0.094 Uiso 1 1 calc R
C35 C 0.3110(6) 0.5884(3) 0.7304(4) 0.058(2) Uani 1 1 d .
H35A H 0.308 0.6207 0.7831 0.087 Uiso 1 1 calc R
H35B H 0.376 0.5715 0.7511 0.087 Uiso 1 1 calc R
H35C H 0.2672 0.5525 0.7274 0.087 Uiso 1 1 calc R
C36 C 0.1020(5) 0.6141(4) 0.5737(7) 0.086(3) Uani 1 1 d .
H36A H 0.1069 0.5693 0.6007 0.129 Uiso 1 1 calc R
H36B H 0.0457 0.618 0.5082 0.129 Uiso 1 1 calc R
H36C H 0.0964 0.6443 0.6278 0.129 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 0 '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'
Si Si 0.0817 0.0704 '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
C3 U C2 30.92(13) . .
C3 U C8 79.59(14) . .
C2 U C8 58.19(14) . .
C3 U C5 57.74(14) . .
C2 U C5 78.46(14) . .
C8 U C5 79.27(14) . .
C3 U C7 86.28(14) . .
C2 U C7 77.79(14) . .
C8 U C7 30.22(13) . .
C5 U C7 58.02(13) . .
C3 U C4 30.72(13) . .
C2 U C4 59.03(13) . .
C8 U C4 88.83(14) . .
C5 U C4 30.68(14) . .
C7 U C4 79.61(14) . .
C3 U C6 77.91(14) . .
C2 U C6 85.44(14) . .
C8 U C6 57.70(14) . .
C5 U C6 30.47(13) . .
C7 U C6 30.07(13) . .
C4 U C6 58.47(14) . .
C3 U C1 59.09(13) . .
C2 U C1 30.75(14) . .
C8 U C1 30.49(14) . .
C5 U C1 87.23(14) . .
C7 U C1 57.59(14) . .
C4 U C1 80.77(13) . .
C6 U C1 78.10(14) . .
C3 U C31 159.78(15) . .
C2 U C31 147.12(16) . .
C8 U C31 89.60(15) . .
C5 U C31 103.66(16) . .
C7 U C31 76.07(15) . .
C4 U C31 133.32(16) . .
C6 U C31 81.87(15) . .
C1 U C31 116.49(16) . .
C3 U C27 140.83(15) . .
C2 U C27 162.19(16) . .
C8 U C27 110.38(19) . .
C5 U C27 86.15(15) . .
C7 U C27 86.52(18) . .
C4 U C27 110.16(15) . .
C6 U C27 76.76(17) . .
C1 U C27 140.7(2) . .
C31 U C27 30.09(17) . .
C3 U C30 169.98(14) . .
C2 U C30 141.91(13) . .
C8 U C30 100.66(14) . .
C5 U C30 132.26(14) . .
C7 U C30 98.98(15) . .
C4 U C30 158.61(14) . .
C6 U C30 110.83(14) . .
C1 U C30 116.75(14) . .
C31 U C30 29.38(15) . .
C27 U C30 48.58(15) . .
C3 U C28 136.65(14) . .
C2 U C28 164.18(16) . .
C8 U C28 137.53(16) . .
C5 U C28 100.98(16) . .
C7 U C28 115.59(18) . .
C4 U C28 113.08(15) . .
C6 U C28 102.15(18) . .
C1 U C28 164.20(15) . .
C31 U C28 48.63(17) . .
C27 U C28 29.07(18) . .
C30 U C28 48.09(15) . .
C3 U C29 148.77(14) . .
C2 U C29 149.52(14) . .
C8 U C29 129.63(14) . .
C5 U C29 129.83(15) . .
C7 U C29 124.28(14) . .
C4 U C29 138.52(15) . .
C6 U C29 124.47(14) . .
C1 U C29 139.89(14) . .
C31 U C29 48.30(15) . .
C27 U C29 48.06(16) . .
C30 U C29 29.03(14) . .
C28 U C29 29.00(16) . .
C3 U P1 78.05(10) . .
C2 U P1 87.47(10) . .
C8 U P1 141.12(10) . .
C5 U P1 113.65(10) . .
C7 U P1 164.16(10) . .
C4 U P1 87.90(10) . .
C6 U P1 144.06(10) . .
C1 U P1 111.03(10) . .
C31 U P1 119.76(11) . .
C27 U P1 107.07(16) . .
C30 U P1 96.19(11) . .
C28 U P1 78.23(14) . .
C29 U P1 71.55(10) . .
C3 U P2 92.13(10) . .
C2 U P2 79.45(10) . .
C8 U P2 107.92(10) . .
C5 U P2 147.94(10) . .
C7 U P2 137.59(10) . .
C4 U P2 117.26(10) . .
C6 U P2 163.52(10) . .
C1 U P2 85.53(10) . .
C31 U P2 107.52(12) . .
C27 U P2 118.19(13) . .
C30 U P2 78.21(11) . .
C28 U P2 94.11(15) . .
C29 U P2 70.13(11) . .
P1 U P2 42.31(3) . .
P2 P1 P2 89.82(6) . 3_666
P2 P1 U 68.87(5) . .
P2 P1 U 118.97(6) 3_666 .
P1 P2 P1 90.18(6) . 3_666
P1 P2 U 68.82(5) . .
P1 P2 U 119.10(6) 3_666 .
C15 Si1 C12 113.1(2) . .
C15 Si1 C9 107.6(2) . .
C12 Si1 C9 106.4(2) . .
C15 Si1 C1 110.9(2) . .
C12 Si1 C1 104.1(2) . .
C9 Si1 C1 114.8(2) . .
C18 Si2 C21 113.9(3) . .
C18 Si2 C24 107.6(3) . .
C21 Si2 C24 106.8(3) . .
C18 Si2 C4 104.8(2) . .
C21 Si2 C4 110.9(2) . .
C24 Si2 C4 113.0(2) . .
C8 C1 C2 131.1(4) . .
C8 C1 Si1 111.9(3) . .
C2 C1 Si1 116.4(3) . .
C8 C1 U 72.6(3) . .
C2 C1 U 72.3(2) . .
Si1 C1 U 145.2(2) . .
C3 C2 C1 137.1(4) . .
C3 C2 U 73.7(2) . .
C1 C2 U 76.9(2) . .
C3 C2 H2 111.5 . .
C1 C2 H2 111.5 . .
U C2 H2 133.8 . .
C2 C3 C4 138.0(4) . .
C2 C3 U 75.3(2) . .
C4 C3 U 76.9(2) . .
C2 C3 H3 111 . .
C4 C3 H3 111 . .
U C3 H3 132 . .
C3 C4 C5 129.6(4) . .
C3 C4 Si2 117.4(3) . .
C5 C4 Si2 112.6(3) . .
C3 C4 U 72.4(2) . .
C5 C4 U 73.7(2) . .
Si2 C4 U 140.5(2) . .
C6 C5 C4 137.2(4) . .
C6 C5 U 76.1(2) . .
C4 C5 U 75.6(2) . .
C6 C5 H5 111.4 . .
C4 C5 H5 111.4 . .
U C5 H5 132.1 . .
C7 C6 C5 135.2(4) . .
C7 C6 U 74.4(2) . .
C5 C6 U 73.4(2) . .
C7 C6 H6 112.4 . .
C5 C6 H6 112.4 . .
U C6 H6 136.5 . .
C8 C7 C6 135.7(4) . .
C8 C7 U 73.7(3) . .
C6 C7 U 75.5(3) . .
C8 C7 H7 112.2 . .
C6 C7 H7 112.2 . .
U C7 H7 134.8 . .
C7 C8 C1 135.9(4) . .
C7 C8 U 76.1(3) . .
C1 C8 U 76.9(3) . .
C7 C8 H8 112 . .
C1 C8 H8 112 . .
U C8 H8 128.4 . .
C10 C9 C11 110.1(5) . .
C10 C9 Si1 113.4(4) . .
C11 C9 Si1 117.2(4) . .
C10 C9 H9 105 . .
C11 C9 H9 105 . .
Si1 C9 H9 105 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C14 C12 C13 111.0(5) . .
C14 C12 Si1 114.0(4) . .
C13 C12 Si1 115.0(4) . .
C14 C12 H12 105.2 . .
C13 C12 H12 105.2 . .
Si1 C12 H12 105.2 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C17 C15 C16 108.8(4) . .
C17 C15 Si1 114.3(4) . .
C16 C15 Si1 114.2(3) . .
C17 C15 H15 106.3 . .
C16 C15 H15 106.3 . .
Si1 C15 H15 106.3 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C20 C18 C19 109.8(5) . .
C20 C18 Si2 114.8(4) . .
C19 C18 Si2 113.3(4) . .
C20 C18 H18 106.1 . .
C19 C18 H18 106.1 . .
Si2 C18 H18 106.1 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C23 108.8(5) . .
C22 C21 Si2 116.2(4) . .
C23 C21 Si2 112.8(4) . .
C22 C21 H21 106.1 . .
C23 C21 H21 106.1 . .
Si2 C21 H21 106.1 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C26 112.3(6) . .
C25 C24 Si2 117.5(5) . .
C26 C24 Si2 111.1(4) . .
C25 C24 H24 104.9 . .
C26 C24 H24 104.9 . .
Si2 C24 H24 104.9 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 C31 108.0(5) . .
C28 C27 C32 126.1(7) . .
C31 C27 C32 125.1(7) . .
C28 C27 U 77.3(3) . .
C31 C27 U 74.5(3) . .
C32 C27 U 122.6(4) . .
C27 C28 C29 108.0(5) . .
C27 C28 C33 126.7(7) . .
C29 C28 C33 124.1(7) . .
C27 C28 U 73.6(3) . .
C29 C28 U 75.7(3) . .
C33 C28 U 126.5(4) . .
C30 C29 C28 108.2(5) . .
C30 C29 C34 125.1(5) . .
C28 C29 C34 124.6(6) . .
C30 C29 U 74.1(3) . .
C28 C29 U 75.3(3) . .
C34 C29 U 129.8(3) . .
C29 C30 C31 108.6(5) . .
C29 C30 C35 124.8(5) . .
C31 C30 C35 126.2(5) . .
C29 C30 U 76.9(3) . .
C31 C30 U 74.2(3) . .
C35 C30 U 120.9(3) . .
C30 C31 C27 107.1(5) . .
C30 C31 C36 123.8(6) . .
C27 C31 C36 128.1(6) . .
C30 C31 U 76.4(3) . .
C27 C31 U 75.4(3) . .
C36 C31 U 122.9(4) . .
C27 C32 H32A 109.5 . .
C27 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C27 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C28 C33 H33A 109.5 . .
C28 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C28 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C29 C34 H34A 109.5 . .
C29 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C29 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C30 C35 H35A 109.5 . .
C30 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C30 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C31 C36 H36A 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C31 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U C3 2.640(4) .
U C2 2.660(4) .
U C8 2.663(4) .
U C5 2.673(4) .
U C7 2.694(4) .
U C4 2.697(4) .
U C6 2.707(4) .
U C1 2.719(4) .
U C31 2.737(5) .
U C27 2.747(5) .
U C30 2.764(4) .
U C28 2.794(5) .
U C29 2.800(5) .
U P1 2.9763(12) .
U P2 2.9773(12) .
P1 P2 2.1485(17) .
P1 P2 2.1521(17) 3_666
P2 P1 2.1521(17) 3_666
Si1 C15 1.890(5) .
Si1 C12 1.898(5) .
Si1 C9 1.903(5) .
Si1 C1 1.911(5) .
Si2 C18 1.884(5) .
Si2 C21 1.887(6) .
Si2 C24 1.888(6) .
Si2 C4 1.904(5) .
C1 C8 1.416(6) .
C1 C2 1.427(6) .
C2 C3 1.413(6) .
C2 H2 0.95 .
C3 C4 1.415(6) .
C3 H3 0.95 .
C4 C5 1.421(6) .
C5 C6 1.414(6) .
C5 H5 0.95 .
C6 C7 1.401(6) .
C6 H6 0.95 .
C7 C8 1.397(6) .
C7 H7 0.95 .
C8 H8 0.95 .
C9 C10 1.523(7) .
C9 C11 1.533(8) .
C9 H9 1 .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 H11A 0.98 .
C11 H11B 0.98 .
C11 H11C 0.98 .
C12 C14 1.530(7) .
C12 C13 1.537(7) .
C12 H12 1 .
C13 H13A 0.98 .
C13 H13B 0.98 .
C13 H13C 0.98 .
C14 H14A 0.98 .
C14 H14B 0.98 .
C14 H14C 0.98 .
C15 C17 1.548(7) .
C15 C16 1.553(7) .
C15 H15 1 .
C16 H16A 0.98 .
C16 H16B 0.98 .
C16 H16C 0.98 .
C17 H17A 0.98 .
C17 H17B 0.98 .
C17 H17C 0.98 .
C18 C20 1.537(8) .
C18 C19 1.550(7) .
C18 H18 1 .
C19 H19A 0.98 .
C19 H19B 0.98 .
C19 H19C 0.98 .
C20 H20A 0.98 .
C20 H20B 0.98 .
C20 H20C 0.98 .
C21 C22 1.549(8) .
C21 C23 1.567(7) .
C21 H21 1 .
C22 H22A 0.98 .
C22 H22B 0.98 .
C22 H22C 0.98 .
C23 H23A 0.98 .
C23 H23B 0.98 .
C23 H23C 0.98 .
C24 C25 1.508(9) .
C24 C26 1.543(9) .
C24 H24 1 .
C25 H25A 0.98 .
C25 H25B 0.98 .
C25 H25C 0.98 .
C26 H26A 0.98 .
C26 H26B 0.98 .
C26 H26C 0.98 .
C27 C28 1.391(9) .
C27 C31 1.423(8) .
C27 C32 1.528(8) .
C28 C29 1.401(8) .
C28 C33 1.507(8) .
C29 C30 1.395(7) .
C29 C34 1.511(7) .
C30 C31 1.395(7) .
C30 C35 1.522(7) .
C31 C36 1.511(8) .
C32 H32A 0.98 .
C32 H32B 0.98 .
C32 H32C 0.98 .
C33 H33A 0.98 .
C33 H33B 0.98 .
C33 H33C 0.98 .
C34 H34A 0.98 .
C34 H34B 0.98 .
C34 H34C 0.98 .
C35 H35A 0.98 .
C35 H35B 0.98 .
C35 H35C 0.98 .
C36 H36A 0.98 .
C36 H36B 0.98 .
C36 H36C 0.98 .
