#------------------------------------------------------------------------------
#$Date: 2020-05-05 16:20:12 +0300 (Tue, 05 May 2020) $
#$Revision: 251625 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/38/7703863.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_7703863
loop_
_publ_author_name
'Muraoka, Takako'
'Tsuchimoto, Masato'
'Ueno, Keiji'
_publ_section_title
;
 Synthesis, structure, and reactivity of a pyridine-stabilized
 silanonetungsten complex.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5100
_journal_page_last               5107
_journal_paper_doi               10.1039/d0dt00497a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C35 H55 O2 P Si2 W'
_chemical_formula_sum            'C35 H55 O2 P Si2 W'
_chemical_formula_weight         778.79
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-08-06 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.113(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   41.020(5)
_cell_length_b                   10.8934(11)
_cell_length_c                   16.9740(19)
_cell_measurement_reflns_used    13514
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     7249.0(14)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR-2011 (Burla et al., 2012)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
;
Rigaku Pilatus 200K
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            57813
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.548
_diffrn_reflns_theta_min         2.942
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    3.325
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3184
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.454
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         8310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0141P)²+42.7826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0696
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7703
_reflns_number_total             8310
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00497a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703862--7703864.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7703863
_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.
;
_shelxl_version_number           2013-4
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
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.86512(2) 0.34348(2) 0.51567(2) 0.01380(4) Uani 1 1 d . . . . .
P P 0.89291(2) 0.24640(8) 0.41919(6) 0.02217(19) Uani 1 1 d . . . . .
Si1 Si 0.94908(2) 0.48352(9) 0.60170(6) 0.02114(19) Uani 1 1 d . . . . .
Si2 Si 0.86034(2) 0.15014(8) 0.61690(5) 0.01618(18) Uani 1 1 d . . . . .
O1 O 0.86444(6) 0.1515(2) 0.52424(14) 0.0184(5) Uani 1 1 d . . . . .
O2 O 0.85441(6) 0.2980(2) 0.62298(13) 0.0172(5) Uani 1 1 d . . . . .
C1 C 0.90709(9) 0.4085(3) 0.5570(2) 0.0183(6) Uani 1 1 d . . . . .
C2 C 0.96155(12) 0.5932(5) 0.5299(3) 0.0424(11) Uani 1 1 d . . . . .
H2A H 0.9599 0.5525 0.4787 0.064 Uiso 1 1 calc R U . . .
H2B H 0.9846 0.6202 0.5545 0.064 Uiso 1 1 calc R U . . .
H2C H 0.9465 0.6628 0.5199 0.064 Uiso 1 1 calc R U . . .
C3 C 0.98339(11) 0.3648(4) 0.6334(3) 0.0397(10) Uani 1 1 d . . . . .
H3A H 0.9770 0.3040 0.6669 0.059 Uiso 1 1 calc R U . . .
H3B H 1.0043 0.4031 0.6643 0.059 Uiso 1 1 calc R U . . .
H3C H 0.9865 0.3265 0.5852 0.059 Uiso 1 1 calc R U . . .
C4 C 0.94784(10) 0.5749(3) 0.6941(2) 0.0270(8) Uani 1 1 d . . . . .
H4A H 0.9281 0.6268 0.6799 0.040 Uiso 1 1 calc R U . . .
H4B H 0.9680 0.6246 0.7120 0.040 Uiso 1 1 calc R U . . .
H4C H 0.9468 0.5202 0.7376 0.040 Uiso 1 1 calc R U . . .
C5 C 0.90074(9) 0.0963(3) 0.6965(2) 0.0186(6) Uani 1 1 d . . . . .
C6 C 0.92010(9) 0.1696(3) 0.7627(2) 0.0210(7) Uani 1 1 d . . . . .
C7 C 0.94970(9) 0.1225(4) 0.8188(2) 0.0248(7) Uani 1 1 d . . . . .
H7 H 0.9617 0.1715 0.8626 0.030 Uiso 1 1 calc R U . . .
C8 C 0.96171(9) 0.0050(4) 0.8113(2) 0.0259(8) Uani 1 1 d . . . . .
C9 C 0.94305(9) -0.0661(3) 0.7457(2) 0.0256(7) Uani 1 1 d . . . . .
H9 H 0.9507 -0.1448 0.7392 0.031 Uiso 1 1 calc R U . . .
C10 C 0.91309(9) -0.0233(3) 0.6888(2) 0.0203(7) Uani 1 1 d . . . . .
C11 C 0.91078(10) 0.3011(3) 0.7748(2) 0.0257(7) Uani 1 1 d . . . . .
H11A H 0.8894 0.3029 0.7873 0.038 Uiso 1 1 calc R U . . .
H11B H 0.9087 0.3468 0.7252 0.038 Uiso 1 1 calc R U . . .
H11C H 0.9282 0.3370 0.8194 0.038 Uiso 1 1 calc R U . . .
C12 C 0.99463(10) -0.0416(5) 0.8712(3) 0.0385(10) Uani 1 1 d . . . . .
H12A H 1.0137 -0.0060 0.8578 0.058 Uiso 1 1 calc R U . . .
H12B H 0.9956 -0.1294 0.8673 0.058 Uiso 1 1 calc R U . . .
H12C H 0.9954 -0.0189 0.9264 0.058 Uiso 1 1 calc R U . . .
C13 C 0.89457(11) -0.1079(3) 0.6196(2) 0.0305(8) Uani 1 1 d . . . . .
H13A H 0.9087 -0.1775 0.6180 0.046 Uiso 1 1 calc R U . . .
H13B H 0.8895 -0.0647 0.5681 0.046 Uiso 1 1 calc R U . . .
H13C H 0.8737 -0.1353 0.6286 0.046 Uiso 1 1 calc R U . . .
C14 C 0.82279(8) 0.0528(3) 0.6246(2) 0.0180(6) Uani 1 1 d . . . . .
C15 C 0.80472(9) -0.0312(3) 0.5638(2) 0.0229(7) Uani 1 1 d . . . . .
C16 C 0.77812(9) -0.1008(3) 0.5769(2) 0.0245(7) Uani 1 1 d . . . . .
H16 H 0.7667 -0.1556 0.5362 0.029 Uiso 1 1 calc R U . . .
C17 C 0.76815(9) -0.0916(3) 0.6475(2) 0.0245(7) Uani 1 1 d . . . . .
C18 C 0.78545(9) -0.0071(3) 0.7066(2) 0.0221(7) Uani 1 1 d . . . . .
H18 H 0.7790 0.0022 0.7544 0.027 Uiso 1 1 calc R U . . .
C19 C 0.81222(9) 0.0642(3) 0.6962(2) 0.0192(6) Uani 1 1 d . . . . .
C20 C 0.81197(11) -0.0516(4) 0.4818(2) 0.0312(9) Uani 1 1 d . . . . .
H20A H 0.8230 -0.1295 0.4827 0.047 Uiso 1 1 calc R U . . .
H20B H 0.8266 0.0126 0.4731 0.047 Uiso 1 1 calc R U . . .
H20C H 0.7909 -0.0507 0.4380 0.047 Uiso 1 1 calc R U . . .
C21 C 0.73928(11) -0.1688(4) 0.6586(3) 0.0343(9) Uani 1 1 d . . . . .
H21A H 0.7194 -0.1570 0.6124 0.052 Uiso 1 1 calc R U . . .
H21B H 0.7344 -0.1447 0.7083 0.052 Uiso 1 1 calc R U . . .
H21C H 0.7457 -0.2538 0.6622 0.052 Uiso 1 1 calc R U . . .
C22 C 0.82911(10) 0.1544(3) 0.7639(2) 0.0240(7) Uani 1 1 d . . . . .
H22A H 0.8175 0.1532 0.8055 0.036 Uiso 1 1 calc R U . . .
H22B H 0.8280 0.2355 0.7411 0.036 Uiso 1 1 calc R U . . .
H22C H 0.8525 0.1317 0.7881 0.036 Uiso 1 1 calc R U . . .
C23 C 0.92802(11) 0.1498(4) 0.4775(3) 0.0314(9) Uani 1 1 d . . . . .
H23A H 0.9361 0.1007 0.4400 0.047 Uiso 1 1 calc R U . . .
H23B H 0.9202 0.0972 0.5136 0.047 Uiso 1 1 calc R U . . .
H23C H 0.9462 0.2007 0.5094 0.047 Uiso 1 1 calc R U . . .
C24 C 0.91389(13) 0.3403(4) 0.3599(3) 0.0390(11) Uani 1 1 d . . . . .
H24A H 0.9301 0.3935 0.3964 0.059 Uiso 1 1 calc R U . . .
H24B H 0.8972 0.3887 0.3208 0.059 Uiso 1 1 calc R U . . .
H24C H 0.9254 0.2881 0.3311 0.059 Uiso 1 1 calc R U . . .
C25 C 0.86761(12) 0.1386(4) 0.3430(3) 0.0332(9) Uani 1 1 d . . . . .
H25A H 0.8505 0.1827 0.3019 0.050 Uiso 1 1 calc R U . . .
H25B H 0.8568 0.0806 0.3698 0.050 Uiso 1 1 calc R U . . .
H25C H 0.8822 0.0957 0.3173 0.050 Uiso 1 1 calc R U . . .
C26 C 0.80524(9) 0.3773(3) 0.4191(2) 0.0240(7) Uani 1 1 d . . . . .
C27 C 0.80564(9) 0.4201(3) 0.4967(2) 0.0215(7) Uani 1 1 d . . . . .
C28 C 0.83120(8) 0.5155(3) 0.52071(19) 0.0175(6) Uani 1 1 d . . . . .
C29 C 0.84493(9) 0.5351(3) 0.4545(2) 0.0203(7) Uani 1 1 d . . . . .
C30 C 0.83004(9) 0.4463(3) 0.3927(2) 0.0241(7) Uani 1 1 d . . . . .
C31 C 0.78287(11) 0.2770(4) 0.3710(3) 0.0372(10) Uani 1 1 d . . . . .
H31A H 0.7804 0.2136 0.4081 0.056 Uiso 1 1 calc R U . . .
H31B H 0.7931 0.2433 0.3317 0.056 Uiso 1 1 calc R U . . .
H31C H 0.7609 0.3101 0.3426 0.056 Uiso 1 1 calc R U . . .
C32 C 0.78371(10) 0.3766(4) 0.5471(3) 0.0299(8) Uani 1 1 d . . . . .
H32A H 0.7616 0.4140 0.5275 0.045 Uiso 1 1 calc R U . . .
H32B H 0.7940 0.3987 0.6038 0.045 Uiso 1 1 calc R U . . .
H32C H 0.7814 0.2889 0.5426 0.045 Uiso 1 1 calc R U . . .
C33 C 0.83848(10) 0.5884(3) 0.5989(2) 0.0255(8) Uani 1 1 d . . . . .
H33A H 0.8585 0.6373 0.6052 0.038 Uiso 1 1 calc R U . . .
H33B H 0.8421 0.5335 0.6449 0.038 Uiso 1 1 calc R U . . .
H33C H 0.8195 0.6410 0.5966 0.038 Uiso 1 1 calc R U . . .
C34 C 0.86814(10) 0.6390(3) 0.4465(2) 0.0241(7) Uani 1 1 d . . . . .
H34A H 0.8546 0.7068 0.4187 0.036 Uiso 1 1 calc R U . . .
H34B H 0.8829 0.6117 0.4154 0.036 Uiso 1 1 calc R U . . .
H34C H 0.8817 0.6644 0.5004 0.036 Uiso 1 1 calc R U . . .
C35 C 0.83131(11) 0.4516(4) 0.3053(2) 0.0337(9) Uani 1 1 d . . . . .
H35A H 0.8115 0.4941 0.2719 0.051 Uiso 1 1 calc R U . . .
H35B H 0.8317 0.3698 0.2846 0.051 Uiso 1 1 calc R U . . .
H35C H 0.8515 0.4945 0.3034 0.051 Uiso 1 1 calc R U . . .
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'
P P 0.1023 0.0942 '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
C1 W O2 100.27(12) . . ?
C1 W O1 113.30(12) . . ?
O2 W O1 71.80(9) . . ?
C1 W C28 100.39(13) . . ?
O2 W C28 82.92(10) . . ?
O1 W C28 140.57(10) . . ?
C1 W C29 89.72(13) . . ?
O2 W C29 117.53(10) . . ?
O1 W C29 154.00(11) . . ?
C28 W C29 34.85(11) . . ?
C1 W C30 114.17(14) . . ?
O2 W C30 130.15(11) . . ?
O1 W C30 120.14(11) . . ?
C28 W C30 57.12(11) . . ?
C29 W C30 34.51(12) . . ?
C1 W P 81.57(10) . . ?
O2 W P 137.64(7) . . ?
O1 W P 68.90(6) . . ?
C28 W P 138.86(8) . . ?
C29 W P 104.75(8) . . ?
C30 W P 84.30(9) . . ?
C1 W C27 134.50(13) . . ?
O2 W C27 74.98(10) . . ?
O1 W C27 107.98(11) . . ?
C28 W C27 34.46(11) . . ?
C29 W C27 56.57(11) . . ?
C30 W C27 55.18(11) . . ?
P W C27 132.31(8) . . ?
C1 W C26 145.46(13) . . ?
O2 W C26 100.85(11) . . ?
O1 W C26 99.15(11) . . ?
C28 W C26 55.88(12) . . ?
C29 W C26 56.21(12) . . ?
C30 W C26 33.48(12) . . ?
P W C26 100.34(9) . . ?
C27 W C26 31.97(11) . . ?
C1 W Si2 106.97(10) . . ?
O2 W Si2 36.11(7) . . ?
O1 W Si2 36.04(6) . . ?
C28 W Si2 115.74(8) . . ?
C29 W Si2 149.87(8) . . ?
C30 W Si2 138.85(9) . . ?
P W Si2 102.44(3) . . ?
C27 W Si2 95.13(8) . . ?
C26 W Si2 106.23(9) . . ?
C24 P C23 101.4(2) . . ?
C24 P C25 103.4(2) . . ?
C23 P C25 101.9(2) . . ?
C24 P W 120.53(14) . . ?
C23 P W 109.27(13) . . ?
C25 P W 117.64(14) . . ?
C1 Si1 C3 110.05(18) . . ?
C1 Si1 C4 109.03(16) . . ?
C3 Si1 C4 109.32(19) . . ?
C1 Si1 C2 114.33(18) . . ?
C3 Si1 C2 107.5(2) . . ?
C4 Si1 C2 106.5(2) . . ?
O1 Si2 O2 96.40(12) . . ?
O1 Si2 C5 111.91(14) . . ?
O2 Si2 C5 111.99(14) . . ?
O1 Si2 C14 112.71(14) . . ?
O2 Si2 C14 113.89(14) . . ?
C5 Si2 C14 109.48(14) . . ?
O1 Si2 W 49.19(8) . . ?
O2 Si2 W 47.76(8) . . ?
C5 Si2 W 118.16(10) . . ?
C14 Si2 W 132.36(11) . . ?
Si2 O1 W 94.76(10) . . ?
Si2 O2 W 96.14(11) . . ?
W C1 Si1 176.5(2) . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 117.3(3) . . ?
C6 C5 Si2 124.0(3) . . ?
C10 C5 Si2 118.7(3) . . ?
C7 C6 C5 120.3(3) . . ?
C7 C6 C11 117.3(3) . . ?
C5 C6 C11 122.4(3) . . ?
C8 C7 C6 122.3(3) . . ?
C8 C7 H7 118.8 . . ?
C6 C7 H7 118.8 . . ?
C9 C8 C7 117.4(3) . . ?
C9 C8 C12 121.5(4) . . ?
C7 C8 C12 121.0(4) . . ?
C8 C9 C10 122.2(3) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 H9 118.9 . . ?
C9 C10 C5 120.5(3) . . ?
C9 C10 C13 118.1(3) . . ?
C5 C10 C13 121.4(3) . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 117.2(3) . . ?
C19 C14 Si2 118.0(2) . . ?
C15 C14 Si2 124.8(3) . . ?
C16 C15 C14 120.0(3) . . ?
C16 C15 C20 116.0(3) . . ?
C14 C15 C20 124.0(3) . . ?
C17 C16 C15 122.9(3) . . ?
C17 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
C16 C17 C18 117.1(3) . . ?
C16 C17 C21 120.9(4) . . ?
C18 C17 C21 122.1(4) . . ?
C17 C18 C19 121.9(3) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C18 C19 C14 120.8(3) . . ?
C18 C19 C22 117.7(3) . . ?
C14 C19 C22 121.5(3) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P C23 H23A 109.5 . . ?
P C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
P C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P C24 H24A 109.5 . . ?
P C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
P C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
P C25 H25A 109.5 . . ?
P C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
P C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C30 107.9(3) . . ?
C27 C26 C31 126.3(4) . . ?
C30 C26 C31 125.8(3) . . ?
C27 C26 W 72.5(2) . . ?
C30 C26 W 68.89(19) . . ?
C31 C26 W 124.3(3) . . ?
C26 C27 C28 108.2(3) . . ?
C26 C27 C32 126.6(3) . . ?
C28 C27 C32 125.2(3) . . ?
C26 C27 W 75.5(2) . . ?
C28 C27 W 66.79(18) . . ?
C32 C27 W 123.3(2) . . ?
C29 C28 C27 108.0(3) . . ?
C29 C28 C33 127.0(3) . . ?
C27 C28 C33 124.7(3) . . ?
C29 C28 W 73.32(19) . . ?
C27 C28 W 78.76(19) . . ?
C33 C28 W 119.3(2) . . ?
C28 C29 C30 107.4(3) . . ?
C28 C29 C34 126.4(3) . . ?
C30 C29 C34 125.9(3) . . ?
C28 C29 W 71.83(18) . . ?
C30 C29 W 75.2(2) . . ?
C34 C29 W 123.4(2) . . ?
C29 C30 C26 108.3(3) . . ?
C29 C30 C35 124.7(3) . . ?
C26 C30 C35 124.2(3) . . ?
C29 C30 W 70.32(19) . . ?
C26 C30 W 77.6(2) . . ?
C35 C30 W 133.0(3) . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
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 . . ?
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
W C1 1.802(3) . ?
W O2 2.056(2) . ?
W O1 2.097(2) . ?
W C28 2.350(3) . ?
W C29 2.369(3) . ?
W C30 2.432(3) . ?
W P 2.4898(9) . ?
W C27 2.508(3) . ?
W C26 2.547(4) . ?
W Si2 2.7614(9) . ?
P C24 1.819(4) . ?
P C23 1.822(4) . ?
P C25 1.827(4) . ?
Si1 C1 1.855(4) . ?
Si1 C3 1.870(4) . ?
Si1 C4 1.870(4) . ?
Si1 C2 1.881(4) . ?
Si2 O1 1.630(2) . ?
Si2 O2 1.637(2) . ?
Si2 C5 1.897(4) . ?
Si2 C14 1.906(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.417(5) . ?
C5 C10 1.418(5) . ?
C6 C7 1.401(5) . ?
C6 C11 1.512(5) . ?
C7 C8 1.391(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.387(5) . ?
C8 C12 1.519(5) . ?
C9 C10 1.400(5) . ?
C9 H9 0.9300 . ?
C10 C13 1.510(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C19 1.410(5) . ?
C14 C15 1.415(5) . ?
C15 C16 1.399(5) . ?
C15 C20 1.523(5) . ?
C16 C17 1.379(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.392(5) . ?
C17 C21 1.509(5) . ?
C18 C19 1.398(5) . ?
C18 H18 0.9300 . ?
C19 C22 1.517(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.393(5) . ?
C26 C30 1.438(5) . ?
C26 C31 1.504(5) . ?
C27 C28 1.447(5) . ?
C27 C32 1.491(5) . ?
C28 C29 1.414(4) . ?
C28 C33 1.499(5) . ?
C29 C30 1.426(5) . ?
C29 C34 1.510(5) . ?
C30 C35 1.501(5) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
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
O2 Si2 O1 W 7.88(12) . . . . ?
C5 Si2 O1 W -108.95(13) . . . . ?
C14 Si2 O1 W 127.13(13) . . . . ?
O1 Si2 O2 W -8.05(13) . . . . ?
C5 Si2 O2 W 108.70(13) . . . . ?
C14 Si2 O2 W -126.39(13) . . . . ?
O1 Si2 C5 C6 117.8(3) . . . . ?
O2 Si2 C5 C6 10.9(3) . . . . ?
C14 Si2 C5 C6 -116.4(3) . . . . ?
W Si2 C5 C6 63.5(3) . . . . ?
O1 Si2 C5 C10 -60.5(3) . . . . ?
O2 Si2 C5 C10 -167.5(2) . . . . ?
C14 Si2 C5 C10 65.2(3) . . . . ?
W Si2 C5 C10 -114.8(2) . . . . ?
C10 C5 C6 C7 -1.6(5) . . . . ?
Si2 C5 C6 C7 -180.0(3) . . . . ?
C10 C5 C6 C11 176.4(3) . . . . ?
Si2 C5 C6 C11 -2.0(5) . . . . ?
C5 C6 C7 C8 1.5(5) . . . . ?
C11 C6 C7 C8 -176.6(3) . . . . ?
C6 C7 C8 C9 -0.4(5) . . . . ?
C6 C7 C8 C12 177.6(3) . . . . ?
C7 C8 C9 C10 -0.4(5) . . . . ?
C12 C8 C9 C10 -178.4(3) . . . . ?
C8 C9 C10 C5 0.2(5) . . . . ?
C8 C9 C10 C13 -179.9(3) . . . . ?
C6 C5 C10 C9 0.8(5) . . . . ?
Si2 C5 C10 C9 179.3(3) . . . . ?
C6 C5 C10 C13 -179.1(3) . . . . ?
Si2 C5 C10 C13 -0.7(4) . . . . ?
C19 C14 C15 C16 -1.4(5) . . . . ?
Si2 C14 C15 C16 178.1(3) . . . . ?
C19 C14 C15 C20 177.9(3) . . . . ?
Si2 C14 C15 C20 -2.6(5) . . . . ?
C14 C15 C16 C17 0.3(6) . . . . ?
C20 C15 C16 C17 -179.1(4) . . . . ?
C15 C16 C17 C18 1.0(5) . . . . ?
C15 C16 C17 C21 -180.0(4) . . . . ?
C16 C17 C18 C19 -1.2(5) . . . . ?
C21 C17 C18 C19 179.9(3) . . . . ?
C17 C18 C19 C14 0.0(5) . . . . ?
C17 C18 C19 C22 179.4(3) . . . . ?
C15 C14 C19 C18 1.3(5) . . . . ?
Si2 C14 C19 C18 -178.2(3) . . . . ?
C15 C14 C19 C22 -178.1(3) . . . . ?
Si2 C14 C19 C22 2.4(4) . . . . ?
C30 C26 C27 C28 -1.0(4) . . . . ?
C31 C26 C27 C28 179.1(4) . . . . ?
W C26 C27 C28 59.1(2) . . . . ?
C30 C26 C27 C32 179.0(3) . . . . ?
C31 C26 C27 C32 -0.9(6) . . . . ?
W C26 C27 C32 -121.0(4) . . . . ?
C30 C26 C27 W -60.1(2) . . . . ?
C31 C26 C27 W 120.0(4) . . . . ?
C26 C27 C28 C29 3.4(4) . . . . ?
C32 C27 C28 C29 -176.5(3) . . . . ?
W C27 C28 C29 68.1(2) . . . . ?
C26 C27 C28 C33 177.4(3) . . . . ?
C32 C27 C28 C33 -2.6(5) . . . . ?
W C27 C28 C33 -117.9(3) . . . . ?
C26 C27 C28 W -64.7(3) . . . . ?
C32 C27 C28 W 115.3(3) . . . . ?
C27 C28 C29 C30 -4.5(4) . . . . ?
C33 C28 C29 C30 -178.3(3) . . . . ?
W C28 C29 C30 67.4(2) . . . . ?
C27 C28 C29 C34 169.6(3) . . . . ?
C33 C28 C29 C34 -4.2(6) . . . . ?
W C28 C29 C34 -118.6(3) . . . . ?
C27 C28 C29 W -71.9(2) . . . . ?
C33 C28 C29 W 114.4(3) . . . . ?
C28 C29 C30 C26 3.9(4) . . . . ?
C34 C29 C30 C26 -170.2(3) . . . . ?
W C29 C30 C26 69.0(3) . . . . ?
C28 C29 C30 C35 165.5(3) . . . . ?
C34 C29 C30 C35 -8.6(6) . . . . ?
W C29 C30 C35 -129.4(4) . . . . ?
C28 C29 C30 W -65.1(2) . . . . ?
C34 C29 C30 W 120.8(3) . . . . ?
C27 C26 C30 C29 -1.8(4) . . . . ?
C31 C26 C30 C29 178.1(4) . . . . ?
W C26 C30 C29 -64.2(2) . . . . ?
C27 C26 C30 C35 -163.5(3) . . . . ?
C31 C26 C30 C35 16.4(6) . . . . ?
W C26 C30 C35 134.1(4) . . . . ?
C27 C26 C30 W 62.4(3) . . . . ?
C31 C26 C30 W -117.7(4) . . . . ?
