#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:03:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179090 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/52/4305268.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_4305268
loop_
_publ_author_name
'David S. Kuiper'
'Richard E. Douthwaite'
'Ana-Rita Mayol'
'Peter T. Wolczanski'
'Emil B. Lobkovsky'
'Thomas R. Cundari'
'Oanh P. Lam'
'Karsten Meyer'
_publ_section_title
;
Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n+1)s
Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox =tBu3SiO)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7139
_journal_page_last               7153
_journal_paper_doi               10.1021/ic800139c
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C37 H84 O3 Si3 W'
_chemical_formula_sum            'C37 H84 O3 Si3 W'
_chemical_formula_weight         845.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.092(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4036(14)
_cell_length_b                   29.592(3)
_cell_length_c                   12.6935(13)
_cell_measurement_reflns_used    4999
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      20.34
_cell_measurement_theta_min      2.28
_cell_volume                     4441.6(8)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker APEX2'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker X8 APEX II diffractometer'
_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  0.0682
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            30004
_diffrn_reflns_theta_full        23.31
_diffrn_reflns_theta_max         23.31
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    2.711
_exptl_absorpt_correction_T_max  0.7732
_exptl_absorpt_correction_T_min  0.4968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.141
_refine_diff_density_min         -1.337
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         6400
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.424
_refine_ls_shift/su_mean         0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0481P)²+22.0459P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1271
_reflns_number_gt                4909
_reflns_number_total             6400
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800139c-file001_5.cif
_cod_data_source_block           dk12
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_database_code               4305268
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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.702699(19) 0.143361(9) 0.49284(2) 0.03154(7) Uani 0.9461(5) 1 d P A 1
W1' W 0.7066(4) 0.11356(18) 0.4900(4) 0.0398(14) Uani 0.0539(5) 1 d P A 2
Si1 Si 0.42364(13) 0.14704(6) 0.44058(14) 0.0422(5) Uani 1 1 d . A .
Si2 Si 0.94726(14) 0.13479(6) 0.76670(14) 0.0438(5) Uani 1 1 d . A .
Si3 Si 0.72376(14) 0.08904(6) 0.26126(14) 0.0419(5) Uani 1 1 d . A .
O1 O 0.5497(3) 0.14759(14) 0.4458(3) 0.0521(13) Uani 1 1 d . . .
O2 O 0.8428(4) 0.14045(14) 0.6276(4) 0.0608(15) Uani 1 1 d . . .
O3 O 0.7128(3) 0.10302(13) 0.3833(3) 0.0446(12) Uani 1 1 d . . .
C1 C 0.3575(5) 0.0905(2) 0.3710(6) 0.056(2) Uani 1 1 d . . .
C2 C 0.4456(7) 0.0533(2) 0.4191(8) 0.090(3) Uani 1 1 d . A .
H2A H 0.4106 0.0244 0.3825 0.135 Uiso 1 1 calc R . .
H2B H 0.4764 0.0512 0.5059 0.135 Uiso 1 1 calc R . .
H2C H 0.5068 0.0602 0.4000 0.135 Uiso 1 1 calc R . .
C3 C 0.3119(6) 0.0899(2) 0.2356(6) 0.072(3) Uani 1 1 d . A .
H3A H 0.2791 0.0602 0.2041 0.108 Uiso 1 1 calc R . .
H3B H 0.3737 0.0960 0.2169 0.108 Uiso 1 1 calc R . .
H3C H 0.2535 0.1132 0.1989 0.108 Uiso 1 1 calc R . .
C4 C 0.2602(6) 0.0772(3) 0.3976(8) 0.092(3) Uani 1 1 d . A .
H4A H 0.2289 0.0480 0.3602 0.139 Uiso 1 1 calc R . .
H4B H 0.2009 0.1003 0.3653 0.139 Uiso 1 1 calc R . .
H4C H 0.2892 0.0749 0.4841 0.139 Uiso 1 1 calc R . .
C5 C 0.3418(6) 0.1977(2) 0.3465(7) 0.066(2) Uani 1 1 d . . .
C6 C 0.3532(6) 0.2014(2) 0.2307(6) 0.068(2) Uani 1 1 d . A .
H6A H 0.3105 0.2276 0.1845 0.103 Uiso 1 1 calc R . .
H6B H 0.3233 0.1739 0.1830 0.103 Uiso 1 1 calc R . .
H6C H 0.4331 0.2049 0.2517 0.103 Uiso 1 1 calc R . .
C7 C 0.2127(6) 0.1935(3) 0.3069(7) 0.083(3) Uani 1 1 d . A .
H7A H 0.1729 0.2199 0.2589 0.124 Uiso 1 1 calc R . .
H7B H 0.2015 0.1919 0.3778 0.124 Uiso 1 1 calc R . .
H7C H 0.1828 0.1660 0.2593 0.124 Uiso 1 1 calc R . .
C8 C 0.3807(8) 0.2432(3) 0.4080(8) 0.109(3) Uani 1 1 d . A .
H8A H 0.3346 0.2672 0.3539 0.163 Uiso 1 1 calc R . .
H8B H 0.4603 0.2479 0.4292 0.163 Uiso 1 1 calc R . .
H8C H 0.3722 0.2437 0.4806 0.163 Uiso 1 1 calc R . .
C9 C 0.4494(5) 0.1520(3) 0.5999(6) 0.079(3) Uani 1 1 d . . .
C10 C 0.3412(6) 0.1606(4) 0.6153(8) 0.119(4) Uani 1 1 d . A .
H10A H 0.3630 0.1626 0.7005 0.179 Uiso 1 1 calc R . .
H10B H 0.2878 0.1355 0.5793 0.179 Uiso 1 1 calc R . .
H10C H 0.3053 0.1889 0.5757 0.179 Uiso 1 1 calc R . .
C11 C 0.5273(7) 0.1932(4) 0.6648(7) 0.130(4) Uani 1 1 d . A .
H11A H 0.5391 0.1949 0.7470 0.195 Uiso 1 1 calc R . .
H11B H 0.4912 0.2211 0.6223 0.195 Uiso 1 1 calc R . .
H11C H 0.6003 0.1895 0.6657 0.195 Uiso 1 1 calc R . .
C12 C 0.5093(7) 0.1099(4) 0.6710(6) 0.117(4) Uani 1 1 d . A .
H12A H 0.5220 0.1130 0.7533 0.175 Uiso 1 1 calc R . .
H12B H 0.5822 0.1065 0.6713 0.175 Uiso 1 1 calc R . .
H12C H 0.4623 0.0833 0.6341 0.175 Uiso 1 1 calc R . .
C13 C 0.9292(6) 0.1798(2) 0.8632(5) 0.063(2) Uani 1 1 d . . .
C14 C 0.8076(7) 0.1790(4) 0.8441(8) 0.118(4) Uani 1 1 d . A .
H14A H 0.7986 0.2022 0.8942 0.176 Uiso 1 1 calc R . .
H14B H 0.7911 0.1492 0.8661 0.176 Uiso 1 1 calc R . .
H14C H 0.7551 0.1851 0.7600 0.176 Uiso 1 1 calc R . .
C15 C 0.9559(10) 0.2263(3) 0.8422(9) 0.151(4) Uani 1 1 d . A .
H15A H 0.9444 0.2472 0.8955 0.227 Uiso 1 1 calc R . .
H15B H 0.9060 0.2348 0.7590 0.227 Uiso 1 1 calc R . .
H15C H 1.0348 0.2278 0.8581 0.227 Uiso 1 1 calc R . .
C16 C 1.0013(9) 0.1686(4) 0.9987(7) 0.125(4) Uani 1 1 d . A .
H16A H 0.9904 0.1924 1.0462 0.187 Uiso 1 1 calc R . .
H16B H 1.0814 0.1671 1.0190 0.187 Uiso 1 1 calc R . .
H16C H 0.9773 0.1395 1.0159 0.187 Uiso 1 1 calc R . .
C17 C 1.0828(6) 0.1439(2) 0.7545(6) 0.060(2) Uani 1 1 d . . .
C18 C 1.1879(6) 0.1511(3) 0.8783(8) 0.101(4) Uani 1 1 d . A .
H18A H 1.2550 0.1556 0.8676 0.151 Uiso 1 1 calc R . .
H18B H 1.1988 0.1244 0.9284 0.151 Uiso 1 1 calc R . .
H18C H 1.1761 0.1777 0.9170 0.151 Uiso 1 1 calc R . .
C19 C 1.1084(7) 0.1055(3) 0.6931(8) 0.109(3) Uani 1 1 d . A .
H19A H 1.1784 0.1120 0.6894 0.163 Uiso 1 1 calc R . .
H19B H 1.0459 0.1020 0.6119 0.163 Uiso 1 1 calc R . .
H19C H 1.1175 0.0775 0.7379 0.163 Uiso 1 1 calc R . .
C20 C 1.0713(6) 0.1868(3) 0.6814(7) 0.075(3) Uani 1 1 d . A .
H20A H 1.1408 0.1914 0.6753 0.113 Uiso 1 1 calc R . .
H20B H 1.0585 0.2129 0.7210 0.113 Uiso 1 1 calc R . .
H20C H 1.0072 0.1834 0.6012 0.113 Uiso 1 1 calc R . .
C21 C 0.9356(5) 0.0743(2) 0.8136(6) 0.067(3) Uani 1 1 d . . .
C22 C 1.0423(7) 0.0575(3) 0.9184(8) 0.112(4) Uani 1 1 d . A .
H22A H 1.0305 0.0265 0.9378 0.169 Uiso 1 1 calc R . .
H22B H 1.0615 0.0771 0.9875 0.169 Uiso 1 1 calc R . .
H22C H 1.1043 0.0578 0.8979 0.169 Uiso 1 1 calc R . .
C23 C 0.9127(7) 0.0419(3) 0.7042(8) 0.094(3) Uani 1 1 d . A .
H23A H 0.9060 0.0107 0.7256 0.141 Uiso 1 1 calc R . .
H23B H 0.9756 0.0443 0.6855 0.141 Uiso 1 1 calc R . .
H23C H 0.8422 0.0509 0.6344 0.141 Uiso 1 1 calc R . .
C24 C 0.8370(6) 0.0672(3) 0.8413(7) 0.079(3) Uani 1 1 d . A .
H24A H 0.8361 0.0357 0.8646 0.119 Uiso 1 1 calc R . .
H24B H 0.7655 0.0742 0.7702 0.119 Uiso 1 1 calc R . .
H24C H 0.8462 0.0872 0.9069 0.119 Uiso 1 1 calc R . .
C25 C 0.8810(5) 0.0933(2) 0.3038(6) 0.059(2) Uani 1 1 d . . .
C26 C 0.9323(6) 0.1373(2) 0.3714(7) 0.077(3) Uani 1 1 d . A .
H26A H 1.0125 0.1387 0.3922 0.116 Uiso 1 1 calc R . .
H26B H 0.9247 0.1382 0.4444 0.116 Uiso 1 1 calc R . .
H26C H 0.8924 0.1631 0.3207 0.116 Uiso 1 1 calc R . .
C27 C 0.9483(6) 0.0538(3) 0.3876(7) 0.077(3) Uani 1 1 d . A .
H27A H 1.0284 0.0565 0.4084 0.116 Uiso 1 1 calc R . .
H27B H 0.9186 0.0250 0.3469 0.116 Uiso 1 1 calc R . .
H27C H 0.9405 0.0551 0.4606 0.116 Uiso 1 1 calc R . .
C28 C 0.9026(6) 0.0912(3) 0.1947(7) 0.081(3) Uani 1 1 d . A .
H28A H 0.9840 0.0934 0.2216 0.122 Uiso 1 1 calc R . .
H28B H 0.8635 0.1164 0.1406 0.122 Uiso 1 1 calc R . .
H28C H 0.8741 0.0625 0.1526 0.122 Uiso 1 1 calc R . .
C29 C 0.6702(5) 0.0277(2) 0.2308(5) 0.055(2) Uani 1 1 d . . .
C30 C 0.7075(6) 0.0033(2) 0.1472(6) 0.069(2) Uani 1 1 d . A .
H30A H 0.6791 -0.0278 0.1338 0.104 Uiso 1 1 calc R . .
H30B H 0.7903 0.0030 0.1843 0.104 Uiso 1 1 calc R . .
H30C H 0.6767 0.0193 0.0707 0.104 Uiso 1 1 calc R . .
C31 C 0.5412(6) 0.0257(2) 0.1706(7) 0.074(3) Uani 1 1 d . A .
H31A H 0.5165 -0.0059 0.1566 0.111 Uiso 1 1 calc R . .
H31B H 0.5099 0.0418 0.0942 0.111 Uiso 1 1 calc R . .
H31C H 0.5145 0.0400 0.2225 0.111 Uiso 1 1 calc R . .
C32 C 0.7128(7) 0.0004(2) 0.3481(6) 0.076(3) Uani 1 1 d . A .
H32A H 0.6841 -0.0306 0.3296 0.113 Uiso 1 1 calc R . .
H32B H 0.6856 0.0146 0.3996 0.113 Uiso 1 1 calc R . .
H32C H 0.7956 -0.0001 0.3894 0.113 Uiso 1 1 calc R . .
C33 C 0.6321(6) 0.1302(2) 0.1370(6) 0.057(2) Uani 1 1 d . . .
C34 C 0.6109(7) 0.1133(3) 0.0133(6) 0.089(3) Uani 1 1 d . A .
H34A H 0.5638 0.1352 -0.0479 0.134 Uiso 1 1 calc R . .
H34B H 0.5719 0.0841 -0.0035 0.134 Uiso 1 1 calc R . .
H34C H 0.6833 0.1098 0.0127 0.134 Uiso 1 1 calc R . .
C35 C 0.5179(5) 0.1371(2) 0.1335(6) 0.064(2) Uani 1 1 d . A .
H35A H 0.4724 0.1583 0.0694 0.095 Uiso 1 1 calc R . .
H35B H 0.5294 0.1493 0.2101 0.095 Uiso 1 1 calc R . .
H35C H 0.4784 0.1080 0.1186 0.095 Uiso 1 1 calc R . .
C36 C 0.6885(7) 0.1771(3) 0.1580(8) 0.095(3) Uani 1 1 d . A .
H36A H 0.6400 0.1976 0.0934 0.142 Uiso 1 1 calc R . .
H36B H 0.7620 0.1743 0.1596 0.142 Uiso 1 1 calc R . .
H36C H 0.6993 0.1892 0.2345 0.142 Uiso 1 1 calc R . .
C37 C 0.7157(6) 0.2126(2) 0.4872(7) 0.086(3) Uani 1 1 d . . .
H37A H 0.7077 0.2262 0.5532 0.130 Uiso 1 1 calc R A 1
H37B H 0.6560 0.2240 0.4111 0.130 Uiso 1 1 calc R A 1
H37C H 0.7898 0.2205 0.4946 0.130 Uiso 1 1 calc R A 1
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
O2 W1 O1 142.0(2) . . ?
O2 W1 O3 104.91(17) . . ?
O1 W1 O3 104.99(16) . . ?
O2 W1 C37 90.7(2) . . ?
O1 W1 C37 91.2(2) . . ?
O3 W1 C37 124.5(3) . . ?
O3 W1' O2 118.5(4) . . ?
O3 W1' O1 109.9(3) . . ?
O2 W1' O1 114.7(3) . . ?
O1 Si1 C9 106.7(3) . . ?
O1 Si1 C5 107.0(3) . . ?
C9 Si1 C5 111.7(4) . . ?
O1 Si1 C1 105.6(3) . . ?
C9 Si1 C1 112.0(4) . . ?
C5 Si1 C1 113.3(3) . . ?
O2 Si2 C13 108.3(2) . . ?
O2 Si2 C17 104.8(3) . . ?
C13 Si2 C17 111.6(3) . . ?
O2 Si2 C21 105.8(3) . . ?
C13 Si2 C21 113.6(4) . . ?
C17 Si2 C21 112.1(3) . . ?
O3 Si3 C33 107.7(3) . . ?
O3 Si3 C29 103.4(3) . . ?
C33 Si3 C29 113.7(3) . . ?
O3 Si3 C25 106.7(3) . . ?
C33 Si3 C25 112.6(3) . . ?
C29 Si3 C25 112.1(3) . . ?
Si1 O1 W1 164.8(3) . . ?
Si1 O1 W1' 149.0(3) . . ?
W1 O1 W1' 24.03(15) . . ?
Si2 O2 W1 164.3(4) . . ?
Si2 O2 W1' 148.2(3) . . ?
W1 O2 W1' 26.17(16) . . ?
W1' O3 Si3 177.7(4) . . ?
W1' O3 W1 26.7(2) . . ?
Si3 O3 W1 155.0(3) . . ?
C2 C1 C3 105.5(6) . . ?
C2 C1 C4 107.8(6) . . ?
C3 C1 C4 108.1(6) . . ?
C2 C1 Si1 110.3(4) . . ?
C3 C1 Si1 112.5(5) . . ?
C4 C1 Si1 112.3(6) . . ?
C8 C5 C6 105.1(7) . . ?
C8 C5 C7 107.2(7) . . ?
C6 C5 C7 106.8(6) . . ?
C8 C5 Si1 114.7(5) . . ?
C6 C5 Si1 111.4(5) . . ?
C7 C5 Si1 111.2(5) . . ?
C12 C9 C11 106.9(6) . . ?
C12 C9 C10 108.5(7) . . ?
C11 C9 C10 103.6(7) . . ?
C12 C9 Si1 110.5(6) . . ?
C11 C9 Si1 111.4(6) . . ?
C10 C9 Si1 115.5(5) . . ?
C15 C13 C14 108.3(8) . . ?
C15 C13 C16 108.6(7) . . ?
C14 C13 C16 103.4(7) . . ?
C15 C13 Si2 114.9(6) . . ?
C14 C13 Si2 109.7(5) . . ?
C16 C13 Si2 111.3(6) . . ?
C19 C17 C20 107.0(7) . . ?
C19 C17 C18 107.9(6) . . ?
C20 C17 C18 106.4(6) . . ?
C19 C17 Si2 113.1(5) . . ?
C20 C17 Si2 109.7(5) . . ?
C18 C17 Si2 112.4(6) . . ?
C22 C21 C24 108.3(7) . . ?
C22 C21 C23 106.4(7) . . ?
C24 C21 C23 106.4(6) . . ?
C22 C21 Si2 113.7(5) . . ?
C24 C21 Si2 113.9(5) . . ?
C23 C21 Si2 107.6(5) . . ?
C26 C25 C28 108.2(7) . . ?
C26 C25 C27 107.0(5) . . ?
C28 C25 C27 106.9(6) . . ?
C26 C25 Si3 110.9(5) . . ?
C28 C25 Si3 113.0(4) . . ?
C27 C25 Si3 110.5(5) . . ?
C31 C29 C32 106.2(6) . . ?
C31 C29 C30 107.1(5) . . ?
C32 C29 C30 108.9(6) . . ?
C31 C29 Si3 111.4(5) . . ?
C32 C29 Si3 111.5(4) . . ?
C30 C29 Si3 111.6(5) . . ?
C35 C33 C36 106.8(6) . . ?
C35 C33 C34 108.2(5) . . ?
C36 C33 C34 108.1(7) . . ?
C35 C33 Si3 110.8(5) . . ?
C36 C33 Si3 111.0(4) . . ?
C34 C33 Si3 111.8(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
W1 O2 1.853(4) . ?
W1 O1 1.851(4) . ?
W1 O3 1.885(4) . ?
W1 C37 2.060(7) . ?
W1' O3 1.429(7) . ?
W1' O2 2.003(6) . ?
W1' O1 2.155(7) . ?
Si1 O1 1.659(5) . ?
Si1 C9 1.890(7) . ?
Si1 C5 1.908(7) . ?
Si1 C1 1.905(6) . ?
Si2 O2 1.667(4) . ?
Si2 C13 1.899(7) . ?
Si2 C17 1.913(8) . ?
Si2 C21 1.915(8) . ?
Si3 O3 1.675(5) . ?
Si3 C33 1.913(6) . ?
Si3 C29 1.923(7) . ?
Si3 C25 1.918(7) . ?
C1 C2 1.516(10) . ?
C1 C3 1.530(10) . ?
C1 C4 1.544(11) . ?
C5 C8 1.520(10) . ?
C5 C6 1.552(11) . ?
C5 C7 1.564(10) . ?
C9 C12 1.526(13) . ?
C9 C11 1.564(12) . ?
C9 C10 1.573(11) . ?
C13 C15 1.478(12) . ?
C13 C14 1.532(11) . ?
C13 C16 1.560(10) . ?
C17 C19 1.506(11) . ?
C17 C20 1.537(10) . ?
C17 C18 1.554(9) . ?
C21 C22 1.507(10) . ?
C21 C24 1.534(11) . ?
C21 C23 1.594(11) . ?
C25 C26 1.533(10) . ?
C25 C28 1.544(11) . ?
C25 C27 1.552(10) . ?
C29 C31 1.527(9) . ?
C29 C32 1.548(9) . ?
C29 C30 1.549(10) . ?
C33 C35 1.524(10) . ?
C33 C36 1.541(10) . ?
C33 C34 1.541(10) . ?
