# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1945751'
loop_
_audit_author_name
_audit_author_address
'Takako Muraoka'
;Gunma University
Japan
;
_audit_update_record             
;
2019-08-06 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H51 N O3 Si2 W, C H2 Cl2'
_chemical_formula_sum            'C39 H53 Cl2 N O3 Si2 W'
_chemical_formula_weight         894.74

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.969(5)
_cell_length_b                   16.001(5)
_cell_length_c                   19.069(6)
_cell_angle_alpha                91.880(5)
_cell_angle_beta                 109.446(6)
_cell_angle_gamma                110.618(5)
_cell_volume                     3972(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    13390
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_F_000             1816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    3.139
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.833
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  
;
Rigaku Pilatus 200K
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            66119
_diffrn_reflns_av_unetI/netI     0.0641
_diffrn_reflns_av_R_equivalents  0.1020
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.752
_diffrn_reflns_theta_max         27.531
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             18079
_reflns_number_gt                15221
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_structure_solution    'SIR-2011 (Burla et al., 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0493P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18079
_refine_ls_number_parameters     921
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0925
_refine_ls_wR_factor_gt          0.0903
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
W1 W 0.69223(2) 0.30525(2) 0.03246(2) 0.01675(4) Uani 1 1 d . . . . .
W2 W 0.80679(2) 0.18268(2) 0.51124(2) 0.01813(4) Uani 1 1 d . . . . .
Si1 Si 0.49604(7) 0.22928(7) 0.01138(6) 0.0249(2) Uani 1 1 d . . . . .
Si2 Si 0.84571(7) 0.19807(6) -0.01618(5) 0.01708(18) Uani 1 1 d . . . . .
Si3 Si 0.75641(9) 0.02080(7) 0.54927(7) 0.0317(2) Uani 1 1 d . . . . .
Si4 Si 0.67772(7) 0.33896(6) 0.50119(5) 0.01903(19) Uani 1 1 d . . . . .
O1 O 0.6470(2) 0.14278(19) 0.11951(17) 0.0379(7) Uani 1 1 d . . . . .
O2 O 0.5613(2) 0.2508(2) -0.14001(15) 0.0352(6) Uani 1 1 d . . . . .
O3 O 0.80566(18) 0.26584(15) 0.01123(13) 0.0204(5) Uani 1 1 d . . . . .
O4 O 0.8127(2) 0.1920(2) 0.67650(16) 0.0457(8) Uani 1 1 d . . . . .
O5 O 0.5944(2) 0.04949(18) 0.39651(15) 0.0352(6) Uani 1 1 d . . . . .
O6 O 0.75004(18) 0.28937(16) 0.49908(14) 0.0231(5) Uani 1 1 d . . . . .
N1 N 0.7295(2) 0.11701(18) -0.09974(16) 0.0192(6) Uani 1 1 d . . . . .
N2 N 0.6318(2) 0.29699(19) 0.58027(16) 0.0202(6) Uani 1 1 d . . . . .
C1 C 0.6623(3) 0.2001(2) 0.0830(2) 0.0237(7) Uani 1 1 d . . . . .
C2 C 0.6087(3) 0.2642(2) -0.0751(2) 0.0225(7) Uani 1 1 d . . . . .
C3 C 0.4592(3) 0.2147(3) 0.0978(2) 0.0368(9) Uani 1 1 d . . . . .
H3A H 0.388491 0.174445 0.082686 0.055 Uiso 1 1 calc R U . . .
H3B H 0.468613 0.272501 0.121694 0.055 Uiso 1 1 calc R U . . .
H3C H 0.501729 0.189670 0.132556 0.055 Uiso 1 1 calc R U . . .
C4 C 0.4336(3) 0.1095(3) -0.0422(2) 0.0307(8) Uani 1 1 d . . . . .
H4A H 0.469738 0.073905 -0.015943 0.046 Uiso 1 1 calc R U . . .
H4B H 0.435905 0.109933 -0.091877 0.046 Uiso 1 1 calc R U . . .
H4C H 0.363433 0.083624 -0.045922 0.046 Uiso 1 1 calc R U . . .
C5 C 0.4098(3) 0.2861(3) -0.0458(2) 0.0384(10) Uani 1 1 d . . . . .
H5A H 0.427281 0.302543 -0.088902 0.058 Uiso 1 1 calc R U . . .
H5B H 0.419329 0.339430 -0.014954 0.058 Uiso 1 1 calc R U . . .
H5C H 0.339371 0.244778 -0.062417 0.058 Uiso 1 1 calc R U . . .
C6 C 0.8694(3) 0.1130(2) 0.04664(19) 0.0200(7) Uani 1 1 d . . . . .
C7 C 0.8919(3) 0.1316(2) 0.12498(19) 0.0216(7) Uani 1 1 d . . . . .
C8 C 0.9018(3) 0.0657(3) 0.1699(2) 0.0295(8) Uani 1 1 d . . . . .
H8 H 0.915157 0.078827 0.221161 0.035 Uiso 1 1 calc R U . . .
C9 C 0.8923(3) -0.0183(3) 0.1404(2) 0.0303(8) Uani 1 1 d . . . . .
C10 C 0.8762(3) -0.0342(2) 0.0643(2) 0.0293(8) Uani 1 1 d . . . . .
H10 H 0.871665 -0.089774 0.043807 0.035 Uiso 1 1 calc R U . . .
C11 C 0.8666(3) 0.0291(2) 0.0178(2) 0.0237(7) Uani 1 1 d . . . . .
C12 C 0.9130(3) 0.2234(2) 0.1653(2) 0.0271(8) Uani 1 1 d . . . . .
H12A H 0.979795 0.265037 0.169751 0.041 Uiso 1 1 calc R U . . .
H12B H 0.910480 0.218114 0.214634 0.041 Uiso 1 1 calc R U . . .
H12C H 0.862069 0.245297 0.136963 0.041 Uiso 1 1 calc R U . . .
C13 C 0.9021(4) -0.0895(3) 0.1885(3) 0.0487(12) Uani 1 1 d . . . . .
H13A H 0.952631 -0.109989 0.182540 0.073 Uiso 1 1 calc R U . . .
H13B H 0.837168 -0.139674 0.173305 0.073 Uiso 1 1 calc R U . . .
H13C H 0.922916 -0.064270 0.240491 0.073 Uiso 1 1 calc R U . . .
C14 C 0.8567(3) 0.0045(3) -0.0631(2) 0.0321(9) Uani 1 1 d . . . . .
H14A H 0.889198 -0.037251 -0.064846 0.048 Uiso 1 1 calc R U . . .
H14B H 0.889315 0.058328 -0.080586 0.048 Uiso 1 1 calc R U . . .
H14C H 0.785401 -0.023089 -0.094940 0.048 Uiso 1 1 calc R U . . .
C15 C 0.9473(2) 0.2514(2) -0.05715(18) 0.0173(6) Uani 1 1 d . . . . .
C16 C 1.0485(3) 0.2521(2) -0.02539(19) 0.0207(7) Uani 1 1 d . . . . .
C17 C 1.1157(3) 0.2832(2) -0.06317(19) 0.0216(7) Uani 1 1 d . . . . .
H17 H 1.181177 0.282734 -0.042392 0.026 Uiso 1 1 calc R U . . .
C18 C 1.0884(3) 0.3150(2) -0.1311(2) 0.0223(7) Uani 1 1 d . . . . .
C19 C 0.9931(3) 0.3203(2) -0.1586(2) 0.0224(7) Uani 1 1 d . . . . .
H19 H 0.975091 0.344275 -0.202592 0.027 Uiso 1 1 calc R U . . .
C20 C 0.9225(3) 0.2908(2) -0.12250(19) 0.0188(6) Uani 1 1 d . . . . .
C21 C 1.0892(3) 0.2246(3) 0.0500(2) 0.0279(8) Uani 1 1 d . . . . .
H21A H 1.161139 0.237649 0.063559 0.042 Uiso 1 1 calc R U . . .
H21B H 1.053097 0.160854 0.046744 0.042 Uiso 1 1 calc R U . . .
H21C H 1.079390 0.257793 0.087737 0.042 Uiso 1 1 calc R U . . .
C22 C 1.1605(3) 0.3425(2) -0.1730(2) 0.0284(8) Uani 1 1 d . . . . .
H22A H 1.137955 0.296090 -0.215359 0.043 Uiso 1 1 calc R U . . .
H22B H 1.228443 0.350824 -0.139866 0.043 Uiso 1 1 calc R U . . .
H22C H 1.161297 0.398282 -0.190457 0.043 Uiso 1 1 calc R U . . .
C23 C 0.8234(3) 0.3055(2) -0.1566(2) 0.0231(7) Uani 1 1 d . . . . .
H23A H 0.838716 0.367235 -0.164211 0.035 Uiso 1 1 calc R U . . .
H23B H 0.786426 0.292814 -0.123125 0.035 Uiso 1 1 calc R U . . .
H23C H 0.782358 0.265711 -0.204216 0.035 Uiso 1 1 calc R U . . .
C24 C 0.7263(3) 0.0981(2) -0.17060(19) 0.0241(7) Uani 1 1 d . . . . .
H24 H 0.785210 0.125501 -0.181360 0.029 Uiso 1 1 calc R U . . .
C25 C 0.6377(3) 0.0391(3) -0.2273(2) 0.0327(9) Uani 1 1 d . . . . .
H25 H 0.637564 0.026867 -0.275353 0.039 Uiso 1 1 calc R U . . .
C26 C 0.5500(3) -0.0015(3) -0.2123(2) 0.0338(9) Uani 1 1 d . . . . .
H26 H 0.489532 -0.040505 -0.250001 0.041 Uiso 1 1 calc R U . . .
C27 C 0.5537(3) 0.0171(2) -0.1393(2) 0.0306(8) Uani 1 1 d . . . . .
H27 H 0.495763 -0.010009 -0.127405 0.037 Uiso 1 1 calc R U . . .
C28 C 0.6441(3) 0.0761(2) -0.0848(2) 0.0238(7) Uani 1 1 d . . . . .
H28 H 0.646092 0.087981 -0.036100 0.029 Uiso 1 1 calc R U . . .
C29 C 0.6968(3) 0.4520(2) 0.0321(2) 0.0241(7) Uani 1 1 d . . . . .
C30 C 0.6923(3) 0.4275(2) 0.1029(2) 0.0243(7) Uani 1 1 d . . . . .
C31 C 0.7863(3) 0.4186(2) 0.1445(2) 0.0226(7) Uani 1 1 d . . . . .
C32 C 0.8477(3) 0.4363(2) 0.1000(2) 0.0225(7) Uani 1 1 d . . . . .
C33 C 0.7916(3) 0.4549(2) 0.0294(2) 0.0241(7) Uani 1 1 d . . . . .
C34 C 0.6231(3) 0.4827(3) -0.0247(2) 0.0357(9) Uani 1 1 d . . . . .
H34A H 0.652284 0.547504 -0.019772 0.054 Uiso 1 1 calc R U . . .
H34B H 0.559857 0.464665 -0.015985 0.054 Uiso 1 1 calc R U . . .
H34C H 0.609928 0.455668 -0.074649 0.054 Uiso 1 1 calc R U . . .
C35 C 0.6183(3) 0.4365(3) 0.1377(2) 0.0350(9) Uani 1 1 d . . . . .
H35A H 0.642168 0.498047 0.161775 0.052 Uiso 1 1 calc R U . . .
H35B H 0.614168 0.397154 0.174496 0.052 Uiso 1 1 calc R U . . .
H35C H 0.551610 0.419988 0.099074 0.052 Uiso 1 1 calc R U . . .
C36 C 0.8170(3) 0.4009(3) 0.2249(2) 0.0318(8) Uani 1 1 d . . . . .
H36A H 0.867419 0.374420 0.233929 0.048 Uiso 1 1 calc R U . . .
H36B H 0.757722 0.360085 0.232668 0.048 Uiso 1 1 calc R U . . .
H36C H 0.845438 0.457018 0.259216 0.048 Uiso 1 1 calc R U . . .
C37 C 0.9554(3) 0.4401(2) 0.1220(2) 0.0308(8) Uani 1 1 d . . . . .
H37A H 0.976458 0.423655 0.171020 0.046 Uiso 1 1 calc R U . . .
H37B H 1.000815 0.500495 0.123146 0.046 Uiso 1 1 calc R U . . .
H37C H 0.957867 0.398653 0.085775 0.046 Uiso 1 1 calc R U . . .
C38 C 0.8342(3) 0.4855(2) -0.0300(2) 0.0348(9) Uani 1 1 d . . . . .
H38A H 0.778868 0.476192 -0.077040 0.052 Uiso 1 1 calc R U . . .
H38B H 0.873389 0.451241 -0.035774 0.052 Uiso 1 1 calc R U . . .
H38C H 0.877739 0.548708 -0.015543 0.052 Uiso 1 1 calc R U . . .
C39 C 0.8058(3) 0.1877(2) 0.6133(2) 0.0269(8) Uani 1 1 d . . . . .
C40 C 0.6708(3) 0.1002(2) 0.44331(19) 0.0219(7) Uani 1 1 d . . . . .
C41 C 0.8531(4) 0.0032(4) 0.6358(3) 0.0674(17) Uani 1 1 d . . . . .
H41A H 0.871204 0.048320 0.678047 0.101 Uiso 1 1 calc R U . . .
H41B H 0.913484 0.008414 0.625933 0.101 Uiso 1 1 calc R U . . .
H41C H 0.823279 -0.055960 0.647094 0.101 Uiso 1 1 calc R U . . .
C42 C 0.7225(4) -0.0816(3) 0.4774(3) 0.0556(14) Uani 1 1 d . . . . .
H42A H 0.681369 -0.135304 0.490321 0.083 Uiso 1 1 calc R U . . .
H42B H 0.784345 -0.087081 0.477475 0.083 Uiso 1 1 calc R U . . .
H42C H 0.684637 -0.073927 0.428064 0.083 Uiso 1 1 calc R U . . .
C43 C 0.6355(3) -0.0110(3) 0.5710(2) 0.0305(8) Uani 1 1 d . . . . .
H43A H 0.622803 -0.067136 0.589983 0.046 Uiso 1 1 calc R U . . .
H43B H 0.578504 -0.017615 0.525831 0.046 Uiso 1 1 calc R U . . .
H43C H 0.643635 0.035748 0.608303 0.046 Uiso 1 1 calc R U . . .
C44 C 0.7480(3) 0.4653(2) 0.5329(2) 0.0218(7) Uani 1 1 d . . . . .
C45 C 0.7239(3) 0.5281(2) 0.4870(2) 0.0268(8) Uani 1 1 d . . . . .
C46 C 0.7745(3) 0.6208(2) 0.5153(2) 0.0277(8) Uani 1 1 d . . . . .
H46 H 0.758797 0.661281 0.484328 0.033 Uiso 1 1 calc R U . . .
C47 C 0.8472(3) 0.6548(2) 0.5875(2) 0.0290(8) Uani 1 1 d . . . . .
C48 C 0.8753(3) 0.5940(2) 0.6308(2) 0.0273(8) Uani 1 1 d . . . . .
H48 H 0.926706 0.615789 0.678461 0.033 Uiso 1 1 calc R U . . .
C49 C 0.8285(3) 0.5004(2) 0.6045(2) 0.0239(7) Uani 1 1 d . . . . .
C50 C 0.6464(4) 0.5011(3) 0.4065(2) 0.0420(10) Uani 1 1 d . . . . .
H50A H 0.578309 0.473686 0.406885 0.063 Uiso 1 1 calc R U . . .
H50B H 0.659527 0.458672 0.378681 0.063 Uiso 1 1 calc R U . . .
H50C H 0.652348 0.553988 0.383022 0.063 Uiso 1 1 calc R U . . .
C51 C 0.8969(3) 0.7552(2) 0.6174(3) 0.0367(9) Uani 1 1 d . . . . .
H51A H 0.963802 0.779228 0.614529 0.055 Uiso 1 1 calc R U . . .
H51B H 0.903115 0.765504 0.669048 0.055 Uiso 1 1 calc R U . . .
H51C H 0.855360 0.784841 0.587786 0.055 Uiso 1 1 calc R U . . .
C52 C 0.8711(3) 0.4420(3) 0.6558(2) 0.0296(8) Uani 1 1 d . . . . .
H52A H 0.944694 0.467804 0.673590 0.044 Uiso 1 1 calc R U . . .
H52B H 0.846073 0.381985 0.628207 0.044 Uiso 1 1 calc R U . . .
H52C H 0.849383 0.439276 0.697989 0.044 Uiso 1 1 calc R U . . .
C53 C 0.5482(3) 0.2982(2) 0.42009(19) 0.0218(7) Uani 1 1 d . . . . .
C54 C 0.5340(3) 0.2539(2) 0.3494(2) 0.0236(7) Uani 1 1 d . . . . .
C55 C 0.4359(3) 0.2141(2) 0.2932(2) 0.0260(7) Uani 1 1 d . . . . .
H55 H 0.428455 0.184805 0.247457 0.031 Uiso 1 1 calc R U . . .
C56 C 0.3497(3) 0.2170(3) 0.3033(2) 0.0299(8) Uani 1 1 d . . . . .
C57 C 0.3648(3) 0.2666(3) 0.3707(2) 0.0321(8) Uani 1 1 d . . . . .
H57 H 0.308581 0.272932 0.377292 0.039 Uiso 1 1 calc R U . . .
C58 C 0.4615(3) 0.3073(3) 0.4289(2) 0.0254(7) Uani 1 1 d . . . . .
C59 C 0.6233(3) 0.2537(3) 0.3297(2) 0.0273(8) Uani 1 1 d . . . . .
H59A H 0.661766 0.313853 0.324448 0.041 Uiso 1 1 calc R U . . .
H59B H 0.598253 0.213279 0.282967 0.041 Uiso 1 1 calc R U . . .
H59C H 0.666746 0.233963 0.369000 0.041 Uiso 1 1 calc R U . . .
C60 C 0.2444(3) 0.1721(3) 0.2417(2) 0.0436(10) Uani 1 1 d . . . . .
H60A H 0.249019 0.183576 0.193704 0.065 Uiso 1 1 calc R U . . .
H60B H 0.198273 0.196190 0.251000 0.065 Uiso 1 1 calc R U . . .
H60C H 0.219125 0.107905 0.241458 0.065 Uiso 1 1 calc R U . . .
C61 C 0.4678(3) 0.3631(3) 0.4968(2) 0.0359(9) Uani 1 1 d . . . . .
H61A H 0.418848 0.391076 0.481433 0.054 Uiso 1 1 calc R U . . .
H61B H 0.535707 0.409056 0.519805 0.054 Uiso 1 1 calc R U . . .
H61C H 0.453010 0.324623 0.532433 0.054 Uiso 1 1 calc R U . . .
C62 C 0.6418(3) 0.3487(2) 0.64187(19) 0.0237(7) Uani 1 1 d . . . . .
H62 H 0.671482 0.411444 0.646796 0.028 Uiso 1 1 calc R U . . .
C63 C 0.6098(3) 0.3122(3) 0.6974(2) 0.0279(8) Uani 1 1 d . . . . .
H63 H 0.618583 0.349265 0.739727 0.034 Uiso 1 1 calc R U . . .
C64 C 0.5640(3) 0.2187(3) 0.6892(2) 0.0306(8) Uani 1 1 d . . . . .
H64 H 0.541492 0.192167 0.726120 0.037 Uiso 1 1 calc R U . . .
C65 C 0.5521(3) 0.1652(3) 0.6256(2) 0.0300(8) Uani 1 1 d . . . . .
H65 H 0.520804 0.102385 0.618951 0.036 Uiso 1 1 calc R U . . .
C66 C 0.5871(3) 0.2061(2) 0.5723(2) 0.0262(8) Uani 1 1 d . . . . .
H66 H 0.579840 0.170246 0.529812 0.031 Uiso 1 1 calc R U . . .
C67 C 0.9186(3) 0.2889(2) 0.4596(2) 0.0275(8) Uani 1 1 d . . . . .
C68 C 0.9765(3) 0.2851(2) 0.5345(2) 0.0264(8) Uani 1 1 d . . . . .
C69 C 0.9745(3) 0.1955(3) 0.5368(2) 0.0296(8) Uani 1 1 d . . . . .
C70 C 0.9123(3) 0.1436(2) 0.4634(2) 0.0300(9) Uani 1 1 d . . . . .
C71 C 0.8766(3) 0.2017(2) 0.4151(2) 0.0266(8) Uani 1 1 d . . . . .
C72 C 0.9081(3) 0.3732(3) 0.4321(3) 0.0388(10) Uani 1 1 d . . . . .
H72A H 0.881825 0.399588 0.462501 0.058 Uiso 1 1 calc R U . . .
H72B H 0.861684 0.357954 0.380473 0.058 Uiso 1 1 calc R U . . .
H72C H 0.974075 0.415770 0.435815 0.058 Uiso 1 1 calc R U . . .
C73 C 1.0436(3) 0.3662(3) 0.5964(3) 0.0448(11) Uani 1 1 d . . . . .
H73A H 1.110677 0.391453 0.593784 0.067 Uiso 1 1 calc R U . . .
H73B H 1.049134 0.347735 0.644511 0.067 Uiso 1 1 calc R U . . .
H73C H 1.013783 0.410912 0.590124 0.067 Uiso 1 1 calc R U . . .
C74 C 1.0442(4) 0.1698(4) 0.6013(3) 0.0536(13) Uani 1 1 d . . . . .
H74A H 1.113839 0.199201 0.604401 0.080 Uiso 1 1 calc R U . . .
H74B H 1.024783 0.105336 0.593183 0.080 Uiso 1 1 calc R U . . .
H74C H 1.038711 0.188524 0.647478 0.080 Uiso 1 1 calc R U . . .
C75 C 0.9070(4) 0.0538(3) 0.4337(3) 0.0496(13) Uani 1 1 d . . . . .
H75A H 0.957452 0.062735 0.411080 0.074 Uiso 1 1 calc R U . . .
H75B H 0.839838 0.020261 0.396486 0.074 Uiso 1 1 calc R U . . .
H75C H 0.920209 0.020595 0.474351 0.074 Uiso 1 1 calc R U . . .
C76 C 0.8160(3) 0.1733(3) 0.3315(2) 0.0439(11) Uani 1 1 d . . . . .
H76A H 0.802991 0.223495 0.310663 0.066 Uiso 1 1 calc R U . . .
H76B H 0.751974 0.124036 0.322909 0.066 Uiso 1 1 calc R U . . .
H76C H 0.854488 0.154124 0.307644 0.066 Uiso 1 1 calc R U . . .
Cl1 Cl 0.54627(13) 0.49935(12) 0.76707(9) 0.0734(4) Uani 1 1 d . . . . .
Cl2 Cl 0.75076(14) 0.57966(11) 0.76114(12) 0.0889(6) Uani 1 1 d D . . . .
C81 C 0.6540(6) 0.5965(4) 0.7981(4) 0.126(4) Uani 1 1 d D . . . .
H81A H 0.682248 0.609229 0.852868 0.151 Uiso 1 1 calc R U . . .
H81B H 0.637687 0.647111 0.779754 0.151 Uiso 1 1 calc R U . . .
Cl3A Cl 0.6873(6) -0.1183(8) 0.2639(5) 0.182(5) Uani 0.592(5) 1 d D U P A 1
Cl4A Cl 0.6577(2) -0.2718(3) 0.3246(3) 0.1066(15) Uani 0.592(5) 1 d D U P A 1
C82A C 0.6639(10) -0.2299(9) 0.2514(7) 0.094(5) Uani 0.592(5) 1 d D U P A 1
H82A H 0.599601 -0.261404 0.209322 0.113 Uiso 0.592(5) 1 calc R U P A 1
H82B H 0.718056 -0.238776 0.238911 0.113 Uiso 0.592(5) 1 calc R U P A 1
Cl3B Cl 0.6914(9) -0.1142(6) 0.2638(4) 0.174(7) Uani 0.408(5) 1 d . U P A 2
Cl4B Cl 0.6912(3) -0.3162(3) 0.2764(2) 0.0776(16) Uani 0.408(5) 1 d D U P A 2
C82B C 0.6515(15) -0.2260(12) 0.2954(16) 0.114(8) Uani 0.408(5) 1 d D U P A 2
H82C H 0.672393 -0.212939 0.349828 0.137 Uiso 0.408(5) 1 calc R U P A 2
H82D H 0.577071 -0.251534 0.275158 0.137 Uiso 0.408(5) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 1.956(4) . ?
W1 C2 1.957(4) . ?
W1 O3 2.154(2) . ?
W1 C29 2.325(3) . ?
W1 C30 2.335(3) . ?
W1 C33 2.347(3) . ?
W1 C31 2.404(3) . ?
W1 C32 2.421(3) . ?
W1 Si1 2.6328(13) . ?
W2 C39 1.950(4) . ?
W2 C40 1.950(4) . ?
W2 O6 2.146(2) . ?
W2 C70 2.310(3) . ?
W2 C69 2.324(4) . ?
W2 C68 2.367(4) . ?
W2 C71 2.374(3) . ?
W2 C67 2.421(3) . ?
W2 Si3 2.6297(13) . ?
Si1 C4 1.888(4) . ?
Si1 C3 1.901(4) . ?
Si1 C5 1.907(4) . ?
Si2 O3 1.561(2) . ?
Si2 C15 1.890(3) . ?
Si2 C6 1.891(3) . ?
Si2 N1 1.918(3) . ?
Si3 C43 1.891(4) . ?
Si3 C41 1.904(5) . ?
Si3 C42 1.904(5) . ?
Si4 O6 1.560(2) . ?
Si4 C44 1.886(4) . ?
Si4 C53 1.904(4) . ?
Si4 N2 1.905(3) . ?
O1 C1 1.173(4) . ?
O2 C2 1.170(4) . ?
O4 C39 1.173(4) . ?
O5 C40 1.176(4) . ?
N1 C28 1.345(4) . ?
N1 C24 1.357(4) . ?
N2 C66 1.348(4) . ?
N2 C62 1.349(4) . ?
C6 C7 1.414(5) . ?
C6 C11 1.415(4) . ?
C7 C8 1.398(5) . ?
C7 C12 1.511(5) . ?
C8 C9 1.381(5) . ?
C9 C10 1.388(5) . ?
C9 C13 1.504(5) . ?
C10 C11 1.382(5) . ?
C11 C14 1.526(5) . ?
C15 C20 1.414(5) . ?
C15 C16 1.427(5) . ?
C16 C17 1.389(4) . ?
C16 C21 1.510(5) . ?
C17 C18 1.393(5) . ?
C18 C19 1.381(5) . ?
C18 C22 1.504(4) . ?
C19 C20 1.403(4) . ?
C20 C23 1.512(5) . ?
C24 C25 1.384(5) . ?
C25 C26 1.375(6) . ?
C26 C27 1.392(6) . ?
C27 C28 1.379(5) . ?
C29 C33 1.422(5) . ?
C29 C30 1.434(5) . ?
C29 C34 1.501(5) . ?
C30 C31 1.427(5) . ?
C30 C35 1.512(4) . ?
C31 C32 1.413(4) . ?
C31 C36 1.515(5) . ?
C32 C33 1.434(5) . ?
C32 C37 1.503(5) . ?
C33 C38 1.493(5) . ?
C44 C49 1.417(5) . ?
C44 C45 1.419(5) . ?
C45 C46 1.395(5) . ?
C45 C50 1.518(6) . ?
C46 C47 1.383(6) . ?
C47 C48 1.384(5) . ?
C47 C51 1.509(5) . ?
C48 C49 1.401(5) . ?
C49 C52 1.516(5) . ?
C53 C58 1.417(4) . ?
C53 C54 1.417(5) . ?
C54 C55 1.400(5) . ?
C54 C59 1.504(5) . ?
C55 C56 1.382(5) . ?
C56 C57 1.395(5) . ?
C56 C60 1.514(6) . ?
C57 C58 1.404(5) . ?
C58 C61 1.505(5) . ?
C62 C63 1.369(5) . ?
C63 C64 1.387(5) . ?
C64 C65 1.385(5) . ?
C65 C66 1.376(5) . ?
C67 C68 1.418(5) . ?
C67 C71 1.419(5) . ?
C67 C72 1.502(5) . ?
C68 C69 1.426(5) . ?
C68 C73 1.509(6) . ?
C69 C70 1.423(6) . ?
C69 C74 1.500(6) . ?
C70 C71 1.442(5) . ?
C70 C75 1.493(5) . ?
C71 C76 1.506(6) . ?
Cl1 C81 1.705(7) . ?
Cl2 C81 1.900(10) . ?
Cl3A C82A 1.687(13) . ?
Cl4A C82A 1.585(13) . ?
Cl3B C82B 1.865(17) . ?
Cl4B C82B 1.812(14) . ?

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 W1 C2 107.54(14) . . ?
C1 W1 O3 87.18(11) . . ?
C2 W1 O3 87.60(11) . . ?
C1 W1 C29 143.90(13) . . ?
C2 W1 C29 94.57(13) . . ?
O3 W1 C29 122.72(11) . . ?
C1 W1 C30 108.82(13) . . ?
C2 W1 C30 122.57(13) . . ?
O3 W1 C30 136.51(11) . . ?
C29 W1 C30 35.86(12) . . ?
C1 W1 C33 152.13(14) . . ?
C2 W1 C33 99.59(13) . . ?
O3 W1 C33 87.72(10) . . ?
C29 W1 C33 35.43(12) . . ?
C30 W1 C33 59.10(11) . . ?
C1 W1 C31 97.01(13) . . ?
C2 W1 C31 153.02(13) . . ?
O3 W1 C31 104.98(11) . . ?
C29 W1 C31 58.50(12) . . ?
C30 W1 C31 35.00(12) . . ?
C33 W1 C31 58.11(12) . . ?
C1 W1 C32 117.26(14) . . ?
C2 W1 C32 132.09(13) . . ?
O3 W1 C32 78.82(10) . . ?
C29 W1 C32 58.10(12) . . ?
C30 W1 C32 57.79(11) . . ?
C33 W1 C32 34.97(12) . . ?
C31 W1 C32 34.04(11) . . ?
C1 W1 Si1 67.84(10) . . ?
C2 W1 Si1 69.33(10) . . ?
O3 W1 Si1 137.42(7) . . ?
C29 W1 Si1 95.25(9) . . ?
C30 W1 Si1 85.38(9) . . ?
C33 W1 Si1 129.99(9) . . ?
C31 W1 Si1 111.64(8) . . ?
C32 W1 Si1 142.93(8) . . ?
C39 W2 C40 107.54(14) . . ?
C39 W2 O6 87.65(12) . . ?
C40 W2 O6 88.03(12) . . ?
C39 W2 C70 129.77(15) . . ?
C40 W2 C70 101.84(14) . . ?
O6 W2 C70 133.68(11) . . ?
C39 W2 C69 99.94(15) . . ?
C40 W2 C69 135.91(14) . . ?
O6 W2 C69 127.52(11) . . ?
C70 W2 C69 35.77(14) . . ?
C39 W2 C68 100.69(14) . . ?
C40 W2 C68 151.75(13) . . ?
O6 W2 C68 92.15(11) . . ?
C70 W2 C68 58.86(13) . . ?
C69 W2 C68 35.37(12) . . ?
C39 W2 C71 157.86(14) . . ?
C40 W2 C71 93.80(13) . . ?
O6 W2 C71 99.17(11) . . ?
C70 W2 C71 35.82(13) . . ?
C69 W2 C71 59.26(13) . . ?
C68 W2 C71 58.27(13) . . ?
C39 W2 C67 130.03(14) . . ?
C40 W2 C67 119.07(14) . . ?
O6 W2 C67 77.43(10) . . ?
C70 W2 C67 58.08(12) . . ?
C69 W2 C67 58.04(13) . . ?
C68 W2 C67 34.43(13) . . ?
C71 W2 C67 34.42(12) . . ?
C39 W2 Si3 68.52(11) . . ?
C40 W2 Si3 68.32(10) . . ?
O6 W2 Si3 137.85(7) . . ?
C70 W2 Si3 86.52(9) . . ?
C69 W2 Si3 91.65(10) . . ?
C68 W2 Si3 125.21(9) . . ?
C71 W2 Si3 116.12(9) . . ?
C67 W2 Si3 144.40(8) . . ?
C4 Si1 C3 102.01(18) . . ?
C4 Si1 C5 103.01(19) . . ?
C3 Si1 C5 102.37(19) . . ?
C4 Si1 W1 112.63(12) . . ?
C3 Si1 W1 118.20(14) . . ?
C5 Si1 W1 116.52(14) . . ?
O3 Si2 C15 114.06(13) . . ?
O3 Si2 C6 116.71(14) . . ?
C15 Si2 C6 115.11(14) . . ?
O3 Si2 N1 104.35(13) . . ?
C15 Si2 N1 104.79(13) . . ?
C6 Si2 N1 99.06(13) . . ?
C43 Si3 C41 104.3(2) . . ?
C43 Si3 C42 101.36(19) . . ?
C41 Si3 C42 101.7(3) . . ?
C43 Si3 W2 111.04(12) . . ?
C41 Si3 W2 117.24(17) . . ?
C42 Si3 W2 119.09(16) . . ?
O6 Si4 C44 113.02(14) . . ?
O6 Si4 C53 116.45(15) . . ?
C44 Si4 C53 116.89(15) . . ?
O6 Si4 N2 104.06(13) . . ?
C44 Si4 N2 104.62(14) . . ?
C53 Si4 N2 98.89(14) . . ?
Si2 O3 W1 154.91(15) . . ?
Si4 O6 W2 157.08(15) . . ?
C28 N1 C24 118.5(3) . . ?
C28 N1 Si2 115.2(2) . . ?
C24 N1 Si2 126.3(2) . . ?
C66 N2 C62 119.0(3) . . ?
C66 N2 Si4 114.6(2) . . ?
C62 N2 Si4 126.4(2) . . ?
O1 C1 W1 173.6(3) . . ?
O2 C2 W1 171.6(3) . . ?
C7 C6 C11 117.3(3) . . ?
C7 C6 Si2 120.9(2) . . ?
C11 C6 Si2 121.8(2) . . ?
C8 C7 C6 120.4(3) . . ?
C8 C7 C12 116.6(3) . . ?
C6 C7 C12 122.9(3) . . ?
C9 C8 C7 121.8(3) . . ?
C8 C9 C10 117.5(3) . . ?
C8 C9 C13 121.9(4) . . ?
C10 C9 C13 120.6(3) . . ?
C11 C10 C9 122.7(3) . . ?
C10 C11 C6 120.1(3) . . ?
C10 C11 C14 116.6(3) . . ?
C6 C11 C14 123.3(3) . . ?
C20 C15 C16 118.2(3) . . ?
C20 C15 Si2 119.2(2) . . ?
C16 C15 Si2 122.5(2) . . ?
C17 C16 C15 119.4(3) . . ?
C17 C16 C21 117.3(3) . . ?
C15 C16 C21 123.2(3) . . ?
C16 C17 C18 122.3(3) . . ?
C19 C18 C17 117.9(3) . . ?
C19 C18 C22 121.2(3) . . ?
C17 C18 C22 120.9(3) . . ?
C18 C19 C20 122.2(3) . . ?
C19 C20 C15 119.5(3) . . ?
C19 C20 C23 116.4(3) . . ?
C15 C20 C23 124.1(3) . . ?
N1 C24 C25 121.6(3) . . ?
C26 C25 C24 119.8(3) . . ?
C25 C26 C27 118.4(4) . . ?
C28 C27 C26 119.5(4) . . ?
N1 C28 C27 122.1(3) . . ?
C33 C29 C30 107.9(3) . . ?
C33 C29 C34 124.9(3) . . ?
C30 C29 C34 126.7(3) . . ?
C33 C29 W1 73.15(19) . . ?
C30 C29 W1 72.46(19) . . ?
C34 C29 W1 126.9(3) . . ?
C31 C30 C29 107.8(3) . . ?
C31 C30 C35 123.7(3) . . ?
C29 C30 C35 126.2(3) . . ?
C31 C30 W1 75.16(19) . . ?
C29 C30 W1 71.68(18) . . ?
C35 C30 W1 132.4(2) . . ?
C32 C31 C30 108.2(3) . . ?
C32 C31 C36 126.6(3) . . ?
C30 C31 C36 125.1(3) . . ?
C32 C31 W1 73.62(19) . . ?
C30 C31 W1 69.84(19) . . ?
C36 C31 W1 126.0(2) . . ?
C31 C32 C33 108.4(3) . . ?
C31 C32 C37 127.4(3) . . ?
C33 C32 C37 124.2(3) . . ?
C31 C32 W1 72.34(19) . . ?
C33 C32 W1 69.71(19) . . ?
C37 C32 W1 125.9(2) . . ?
C29 C33 C32 107.7(3) . . ?
C29 C33 C38 127.1(3) . . ?
C32 C33 C38 124.6(3) . . ?
C29 C33 W1 71.42(19) . . ?
C32 C33 W1 75.32(19) . . ?
C38 C33 W1 125.9(2) . . ?
O4 C39 W2 175.1(3) . . ?
O5 C40 W2 172.1(3) . . ?
C49 C44 C45 117.7(3) . . ?
C49 C44 Si4 120.1(3) . . ?
C45 C44 Si4 122.2(3) . . ?
C46 C45 C44 119.5(3) . . ?
C46 C45 C50 116.7(3) . . ?
C44 C45 C50 123.9(3) . . ?
C47 C46 C45 122.7(3) . . ?
C46 C47 C48 117.8(3) . . ?
C46 C47 C51 121.2(3) . . ?
C48 C47 C51 120.9(4) . . ?
C47 C48 C49 121.7(4) . . ?
C48 C49 C44 120.2(3) . . ?
C48 C49 C52 116.1(3) . . ?
C44 C49 C52 123.6(3) . . ?
C58 C53 C54 117.5(3) . . ?
C58 C53 Si4 121.6(3) . . ?
C54 C53 Si4 120.8(2) . . ?
C55 C54 C53 120.4(3) . . ?
C55 C54 C59 117.6(3) . . ?
C53 C54 C59 121.8(3) . . ?
C56 C55 C54 122.4(3) . . ?
C55 C56 C57 117.1(3) . . ?
C55 C56 C60 121.0(4) . . ?
C57 C56 C60 121.8(4) . . ?
C56 C57 C58 122.6(3) . . ?
C57 C58 C53 119.6(3) . . ?
C57 C58 C61 117.0(3) . . ?
C53 C58 C61 123.2(3) . . ?
N2 C62 C63 122.3(3) . . ?
C62 C63 C64 118.7(3) . . ?
C65 C64 C63 119.3(3) . . ?
C66 C65 C64 119.1(4) . . ?
N2 C66 C65 121.6(3) . . ?
C68 C67 C71 108.9(3) . . ?
C68 C67 C72 125.0(4) . . ?
C71 C67 C72 126.1(4) . . ?
C68 C67 W2 70.71(19) . . ?
C71 C67 W2 70.99(19) . . ?
C72 C67 W2 126.4(2) . . ?
C67 C68 C69 108.2(3) . . ?
C67 C68 C73 124.9(4) . . ?
C69 C68 C73 126.1(4) . . ?
C67 C68 W2 74.9(2) . . ?
C69 C68 W2 70.7(2) . . ?
C73 C68 W2 128.7(3) . . ?
C70 C69 C68 107.6(3) . . ?
C70 C69 C74 127.4(4) . . ?
C68 C69 C74 123.8(4) . . ?
C70 C69 W2 71.6(2) . . ?
C68 C69 W2 73.98(19) . . ?
C74 C69 W2 129.6(3) . . ?
C69 C70 C71 108.4(3) . . ?
C69 C70 C75 126.8(4) . . ?
C71 C70 C75 122.8(4) . . ?
C69 C70 W2 72.63(19) . . ?
C71 C70 W2 74.51(18) . . ?
C75 C70 W2 131.6(3) . . ?
C67 C71 C70 106.9(3) . . ?
C67 C71 C76 128.8(4) . . ?
C70 C71 C76 124.0(3) . . ?
C67 C71 W2 74.59(19) . . ?
C70 C71 W2 69.67(18) . . ?
C76 C71 W2 125.8(2) . . ?
Cl1 C81 Cl2 107.9(4) . . ?
Cl4A C82A Cl3A 111.6(8) . . ?
Cl4B C82B Cl3B 124.1(10) . . ?

_refine_diff_density_max         2.580
_refine_diff_density_min         -1.272
_refine_diff_density_rms         0.127

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1945753'
loop_
_audit_author_name
_audit_author_address
'Takako Muraoka'
;Gunma University
Japan
;
_audit_update_record             
;
2019-08-06 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H55 O2 P Si2 W'
_chemical_formula_sum            'C35 H55 O2 P Si2 W'
_chemical_formula_weight         778.79

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

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'

_cell_length_a                   41.020(5)
_cell_length_b                   10.8934(11)
_cell_length_c                   16.9740(19)
_cell_angle_alpha                90
_cell_angle_beta                 107.113(2)
_cell_angle_gamma                90
_cell_volume                     7249.0(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    13514
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_F_000             3184
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_absorpt_coefficient_mu    3.325
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  
;
Rigaku Pilatus 200K
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            57813
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.942
_diffrn_reflns_theta_max         27.548
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8310
_reflns_number_gt                7703
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_structure_solution    'SIR-2011 (Burla et al., 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0141P)²+42.7826P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8310
_refine_ls_number_parameters     387
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0696
_refine_ls_wR_factor_gt          0.0692
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_restrained_S_all      1.159
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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_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_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) . . . . ?

_refine_diff_density_max         2.454
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.107

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1945752'
loop_
_audit_author_name
_audit_author_address
'Takako Muraoka'
;Gunma University
Japan
;
_audit_update_record             
;
2019-08-06 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H55 O3 P Si2 W'
_chemical_formula_sum            'C36 H55 O3 P Si2 W'
_chemical_formula_weight         806.80

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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           114
_space_group_name_H-M_alt        'P -4 21 c'
_space_group_name_Hall           'P -4 2n'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y, x, -z'
'y, -x, -z'

_cell_length_a                   28.087(2)
_cell_length_b                   28.087(2)
_cell_length_c                   9.4238(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7434.2(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    18606
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_F_000             3296
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    3.247
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  
;
Rigaku Pilatus 200K
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            62159
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.603
_diffrn_reflns_theta_max         27.516
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8541
_reflns_number_gt                7579
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.815
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_structure_solution    'SIR-2011 (Burla et al., 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0217P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'direct - structure invariant direct methods'
_atom_sites_solution_secondary   'direct - structure invariant direct methods'
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3184 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.000(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8541
_refine_ls_number_parameters     405
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0289
_refine_ls_wR_factor_ref         0.0654
_refine_ls_wR_factor_gt          0.0636
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_restrained_S_all      0.982
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000

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 0.71827(2) 0.98029(2) 0.85420(3) 0.01675(6) Uani 1 1 d . . . . .
P P 0.76305(6) 0.91829(5) 0.98395(17) 0.0204(3) Uani 1 1 d . . . . .
Si1 Si 0.78482(6) 1.05918(6) 0.99300(17) 0.0180(3) Uani 1 1 d . . . . .
Si2 Si 0.64905(6) 1.01960(6) 1.1540(2) 0.0245(3) Uani 1 1 d . . . . .
O1 O 0.63189(16) 0.91831(17) 0.9523(5) 0.0347(11) Uani 1 1 d . . . . .
O2 O 0.78508(13) 1.01443(13) 0.8876(4) 0.0201(8) Uani 1 1 d . . . . .
O3 O 0.73649(14) 1.05032(14) 1.0916(4) 0.0214(9) Uani 1 1 d . . . . .
C1 C 0.6632(2) 0.9422(2) 0.9186(7) 0.0257(14) Uani 1 1 d . . . . .
C2 C 0.7018(2) 1.0193(2) 1.0284(6) 0.0189(13) Uani 1 1 d . . . . .
C3 C 0.7867(2) 0.9387(2) 1.1534(8) 0.0265(13) Uani 1 1 d . . . . .
H3A H 0.8038 0.9132 1.1982 0.040 Uiso 1 1 calc R U . . .
H3B H 0.7610 0.9486 1.2135 0.040 Uiso 1 1 calc R U . . .
H3C H 0.8078 0.9650 1.1377 0.040 Uiso 1 1 calc R U . . .
C4 C 0.7310(2) 0.8649(2) 1.0363(8) 0.0367(17) Uani 1 1 d . . . . .
H4A H 0.7072 0.8730 1.1054 0.055 Uiso 1 1 calc R U . . .
H4B H 0.7529 0.8424 1.0765 0.055 Uiso 1 1 calc R U . . .
H4C H 0.7159 0.8512 0.9546 0.055 Uiso 1 1 calc R U . . .
C5 C 0.8149(2) 0.8920(3) 0.9004(8) 0.0354(17) Uani 1 1 d . . . . .
H5A H 0.8054 0.8754 0.8160 0.053 Uiso 1 1 calc R U . . .
H5B H 0.8296 0.8700 0.9650 0.053 Uiso 1 1 calc R U . . .
H5C H 0.8371 0.9166 0.8761 0.053 Uiso 1 1 calc R U . . .
C6 C 0.7811(2) 1.1178(2) 0.8906(6) 0.0216(12) Uani 1 1 d . . . . .
C7 C 0.8193(2) 1.1288(2) 0.7988(7) 0.0222(13) Uani 1 1 d . . . . .
C8 C 0.8175(3) 1.1684(2) 0.7114(7) 0.0317(15) Uani 1 1 d . . . . .
H8 H 0.8428 1.1745 0.6506 0.038 Uiso 1 1 calc R U . . .
C9 C 0.7784(3) 1.1999(2) 0.7114(7) 0.0327(15) Uani 1 1 d . . . . .
C10 C 0.7420(2) 1.1895(2) 0.8017(8) 0.0329(16) Uani 1 1 d . . . . .
H10 H 0.7160 1.2100 0.8043 0.039 Uiso 1 1 calc R U . . .
C11 C 0.7416(2) 1.1495(2) 0.8913(6) 0.0251(14) Uani 1 1 d . . . . .
C12 C 0.8637(2) 1.0979(2) 0.7900(7) 0.0278(14) Uani 1 1 d . . . . .
H12A H 0.8837 1.1091 0.7144 0.042 Uiso 1 1 calc R U . . .
H12B H 0.8546 1.0655 0.7720 0.042 Uiso 1 1 calc R U . . .
H12C H 0.8807 1.0997 0.8781 0.042 Uiso 1 1 calc R U . . .
C13 C 0.7780(3) 1.2437(3) 0.6178(9) 0.053(2) Uani 1 1 d . . . . .
H13A H 0.7974 1.2680 0.6599 0.080 Uiso 1 1 calc R U . . .
H13B H 0.7460 1.2552 0.6082 0.080 Uiso 1 1 calc R U . . .
H13C H 0.7904 1.2357 0.5259 0.080 Uiso 1 1 calc R U . . .
C14 C 0.6981(2) 1.1424(2) 0.9808(8) 0.0324(16) Uani 1 1 d . . . . .
H14A H 0.6762 1.1681 0.9651 0.049 Uiso 1 1 calc R U . . .
H14B H 0.7070 1.1416 1.0791 0.049 Uiso 1 1 calc R U . . .
H14C H 0.6831 1.1128 0.9556 0.049 Uiso 1 1 calc R U . . .
C15 C 0.8366(2) 1.06234(19) 1.1242(6) 0.0196(12) Uani 1 1 d . . . . .
C16 C 0.8325(2) 1.0934(2) 1.2418(7) 0.0235(13) Uani 1 1 d . . . . .
C17 C 0.8689(2) 1.0969(2) 1.3404(7) 0.0277(14) Uani 1 1 d . . . . .
H17 H 0.8653 1.1174 1.4172 0.033 Uiso 1 1 calc R U . . .
C18 C 0.9107(2) 1.0705(2) 1.3281(7) 0.0280(15) Uani 1 1 d . . . . .
C19 C 0.9143(2) 1.0403(2) 1.2161(8) 0.0331(16) Uani 1 1 d . . . . .
H19 H 0.9417 1.0219 1.2072 0.040 Uiso 1 1 calc R U . . .
C20 C 0.8786(2) 1.0354(2) 1.1134(6) 0.0239(14) Uani 1 1 d . . . . .
C21 C 0.7898(2) 1.1251(2) 1.2642(7) 0.0282(14) Uani 1 1 d . . . . .
H21A H 0.7930 1.1418 1.3526 0.042 Uiso 1 1 calc R U . . .
H21B H 0.7614 1.1060 1.2663 0.042 Uiso 1 1 calc R U . . .
H21C H 0.7876 1.1476 1.1879 0.042 Uiso 1 1 calc R U . . .
C22 C 0.9505(3) 1.0762(3) 1.4328(9) 0.047(2) Uani 1 1 d . . . . .
H22A H 0.9653 1.0458 1.4490 0.071 Uiso 1 1 calc R U . . .
H22B H 0.9380 1.0882 1.5207 0.071 Uiso 1 1 calc R U . . .
H22C H 0.9736 1.0981 1.3960 0.071 Uiso 1 1 calc R U . . .
C23 C 0.8891(2) 1.0011(2) 0.9931(8) 0.0313(15) Uani 1 1 d . . . . .
H23A H 0.9135 1.0143 0.9335 0.047 Uiso 1 1 calc R U . . .
H23B H 0.8608 0.9961 0.9383 0.047 Uiso 1 1 calc R U . . .
H23C H 0.8998 0.9713 1.0314 0.047 Uiso 1 1 calc R U . . .
C24 C 0.6514(3) 1.0724(3) 1.2747(8) 0.0383(18) Uani 1 1 d . . . . .
H24A H 0.6266 1.0700 1.3442 0.057 Uiso 1 1 calc R U . . .
H24B H 0.6472 1.1010 1.2202 0.057 Uiso 1 1 calc R U . . .
H24C H 0.6818 1.0734 1.3216 0.057 Uiso 1 1 calc R U . . .
C25 C 0.5905(2) 1.0217(3) 1.0576(8) 0.0389(17) Uani 1 1 d . . . . .
H25A H 0.5894 1.0495 0.9986 0.058 Uiso 1 1 calc R U . . .
H25B H 0.5650 1.0228 1.1253 0.058 Uiso 1 1 calc R U . . .
H25C H 0.5872 0.9937 0.9997 0.058 Uiso 1 1 calc R U . . .
C26 C 0.6518(3) 0.9661(3) 1.2728(7) 0.0340(16) Uani 1 1 d . . . . .
H26A H 0.6253 0.9665 1.3369 0.051 Uiso 1 1 calc R U . . .
H26B H 0.6810 0.9666 1.3261 0.051 Uiso 1 1 calc R U . . .
H26C H 0.6507 0.9376 1.2163 0.051 Uiso 1 1 calc R U . . .
C27 C 0.7393(2) 0.9565(2) 0.6170(6) 0.0263(14) Uani 1 1 d . . . . .
C28 C 0.7386(3) 1.0069(2) 0.6143(6) 0.0327(17) Uani 1 1 d . . . . .
C29 C 0.6928(3) 1.0230(2) 0.6520(8) 0.0357(16) Uani 1 1 d . . . . .
C30 C 0.6630(2) 0.9813(3) 0.6721(7) 0.0323(16) Uani 1 1 d . . . . .
C31 C 0.6934(2) 0.9405(2) 0.6493(8) 0.0234(12) Uani 1 1 d . . . . .
C32 C 0.7806(3) 0.9267(3) 0.5666(9) 0.048(2) Uani 1 1 d . . . . .
H32A H 0.7836 0.9296 0.4655 0.072 Uiso 1 1 calc R U . . .
H32B H 0.7752 0.8940 0.5912 0.072 Uiso 1 1 calc R U . . .
H32C H 0.8094 0.9377 0.6111 0.072 Uiso 1 1 calc R U . . .
C33 C 0.7796(3) 1.0370(3) 0.5716(8) 0.064(3) Uani 1 1 d . . . . .
H33A H 0.7749 1.0689 0.6054 0.096 Uiso 1 1 calc R U . . .
H33B H 0.7822 1.0373 0.4700 0.096 Uiso 1 1 calc R U . . .
H33C H 0.8083 1.0242 0.6117 0.096 Uiso 1 1 calc R U . . .
C34 C 0.6760(4) 1.0740(3) 0.6559(10) 0.069(3) Uani 1 1 d . . . . .
H34A H 0.6603 1.0816 0.5683 0.103 Uiso 1 1 calc R U . . .
H34B H 0.7028 1.0948 0.6686 0.103 Uiso 1 1 calc R U . . .
H34C H 0.6541 1.0781 0.7333 0.103 Uiso 1 1 calc R U . . .
C35 C 0.6099(3) 0.9821(4) 0.6769(8) 0.061(3) Uani 1 1 d . . . . .
H35A H 0.5976 0.9837 0.5820 0.091 Uiso 1 1 calc R U . . .
H35B H 0.5995 1.0095 0.7293 0.091 Uiso 1 1 calc R U . . .
H35C H 0.5986 0.9538 0.7224 0.091 Uiso 1 1 calc R U . . .
C36 C 0.6767(3) 0.8896(2) 0.6367(9) 0.0409(17) Uani 1 1 d . . . . .
H36A H 0.6990 0.8690 0.6833 0.061 Uiso 1 1 calc R U . . .
H36B H 0.6745 0.8811 0.5382 0.061 Uiso 1 1 calc R U . . .
H36C H 0.6460 0.8864 0.6803 0.061 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.975(7) . ?
W C2 2.027(6) . ?
W O2 2.131(4) . ?
W C30 2.315(6) . ?
W C31 2.339(7) . ?
W C29 2.363(7) . ?
W C27 2.407(6) . ?
W C28 2.450(6) . ?
W P 2.4717(15) . ?
P C5 1.812(7) . ?
P C4 1.816(7) . ?
P C3 1.822(7) . ?
Si1 O2 1.602(4) . ?
Si1 O3 1.664(4) . ?
Si1 C15 1.910(6) . ?
Si1 C6 1.912(6) . ?
Si2 C24 1.871(7) . ?
Si2 C26 1.877(7) . ?
Si2 C25 1.880(7) . ?
Si2 C2 1.896(6) . ?
O1 C1 1.152(8) . ?
O3 C2 1.437(7) . ?
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 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.413(9) . ?
C6 C11 1.422(8) . ?
C7 C8 1.385(9) . ?
C7 C12 1.521(9) . ?
C8 C9 1.410(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.361(10) . ?
C9 C13 1.514(9) . ?
C10 C11 1.405(9) . ?
C10 H10 0.9300 . ?
C11 C14 1.499(9) . ?
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 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C20 1.407(8) . ?
C15 C16 1.416(9) . ?
C16 C17 1.384(9) . ?
C16 C21 1.509(9) . ?
C17 C18 1.394(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.359(10) . ?
C18 C22 1.498(9) . ?
C19 C20 1.401(9) . ?
C19 H19 0.9300 . ?
C20 C23 1.515(9) . ?
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 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C31 1.399(9) . ?
C27 C28 1.418(9) . ?
C27 C32 1.508(10) . ?
C28 C29 1.410(11) . ?
C28 C33 1.483(10) . ?
C29 C30 1.452(10) . ?
C29 C34 1.508(10) . ?
C30 C31 1.447(8) . ?
C30 C35 1.491(10) . ?
C31 C36 1.507(8) . ?
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 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

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 C2 82.2(3) . . ?
C1 W O2 152.6(2) . . ?
C2 W O2 80.71(19) . . ?
C1 W C30 73.1(3) . . ?
C2 W C30 116.1(2) . . ?
O2 W C30 134.0(2) . . ?
C1 W C31 76.1(2) . . ?
C2 W C31 149.2(2) . . ?
O2 W C31 126.93(18) . . ?
C30 W C31 36.2(2) . . ?
C1 W C29 106.6(3) . . ?
C2 W C29 108.0(2) . . ?
O2 W C29 99.0(2) . . ?
C30 W C29 36.2(2) . . ?
C31 W C29 59.1(2) . . ?
C1 W C27 109.1(2) . . ?
C2 W C27 163.4(2) . . ?
O2 W C27 92.66(18) . . ?
C30 W C27 58.6(2) . . ?
C31 W C27 34.3(2) . . ?
C29 W C27 57.7(2) . . ?
C1 W C28 129.2(3) . . ?
C2 W C28 129.5(2) . . ?
O2 W C28 78.1(2) . . ?
C30 W C28 57.9(2) . . ?
C31 W C28 56.9(2) . . ?
C29 W C28 34.0(3) . . ?
C27 W C28 33.9(2) . . ?
C1 W P 82.25(19) . . ?
C2 W P 95.53(17) . . ?
O2 W P 78.23(11) . . ?
C30 W P 135.82(18) . . ?
C31 W P 102.92(15) . . ?
C29 W P 155.63(19) . . ?
C27 W P 98.00(16) . . ?
C28 W P 123.59(19) . . ?
C5 P C4 100.4(3) . . ?
C5 P C3 102.4(3) . . ?
C4 P C3 101.7(3) . . ?
C5 P W 118.7(2) . . ?
C4 P W 117.6(2) . . ?
C3 P W 113.4(2) . . ?
O2 Si1 O3 103.5(2) . . ?
O2 Si1 C15 115.8(2) . . ?
O3 Si1 C15 105.4(2) . . ?
O2 Si1 C6 111.3(2) . . ?
O3 Si1 C6 111.5(2) . . ?
C15 Si1 C6 109.2(3) . . ?
C24 Si2 C26 105.7(3) . . ?
C24 Si2 C25 107.5(4) . . ?
C26 Si2 C25 110.5(4) . . ?
C24 Si2 C2 110.8(3) . . ?
C26 Si2 C2 109.7(3) . . ?
C25 Si2 C2 112.5(3) . . ?
Si1 O2 W 116.2(2) . . ?
C2 O3 Si1 114.4(3) . . ?
O1 C1 W 176.8(6) . . ?
O3 C2 Si2 105.6(3) . . ?
O3 C2 W 120.6(4) . . ?
Si2 C2 W 133.4(3) . . ?
P C3 H3A 109.5 . . ?
P C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
P C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P C4 H4A 109.5 . . ?
P C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
P C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P C5 H5A 109.5 . . ?
P C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
P C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 117.3(5) . . ?
C7 C6 Si1 117.1(4) . . ?
C11 C6 Si1 125.4(5) . . ?
C8 C7 C6 120.8(6) . . ?
C8 C7 C12 117.2(6) . . ?
C6 C7 C12 122.1(5) . . ?
C7 C8 C9 122.2(6) . . ?
C7 C8 H8 118.9 . . ?
C9 C8 H8 118.9 . . ?
C10 C9 C8 116.7(6) . . ?
C10 C9 C13 122.3(7) . . ?
C8 C9 C13 121.0(7) . . ?
C9 C10 C11 123.6(6) . . ?
C9 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C10 C11 C6 119.4(6) . . ?
C10 C11 C14 116.9(6) . . ?
C6 C11 C14 123.7(5) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 117.1(5) . . ?
C20 C15 Si1 124.5(4) . . ?
C16 C15 Si1 118.3(4) . . ?
C17 C16 C15 120.6(6) . . ?
C17 C16 C21 116.9(6) . . ?
C15 C16 C21 122.4(5) . . ?
C16 C17 C18 122.0(6) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C19 C18 C17 117.3(6) . . ?
C19 C18 C22 121.5(6) . . ?
C17 C18 C22 121.1(6) . . ?
C18 C19 C20 123.0(6) . . ?
C18 C19 H19 118.5 . . ?
C20 C19 H19 118.5 . . ?
C19 C20 C15 119.9(6) . . ?
C19 C20 C23 116.0(6) . . ?
C15 C20 C23 124.1(5) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C31 C27 C28 108.3(6) . . ?
C31 C27 C32 126.9(6) . . ?
C28 C27 C32 123.9(7) . . ?
C31 C27 W 70.2(4) . . ?
C28 C27 W 74.7(4) . . ?
C32 C27 W 129.4(5) . . ?
C29 C28 C27 109.1(6) . . ?
C29 C28 C33 126.5(7) . . ?
C27 C28 C33 124.3(8) . . ?
C29 C28 W 69.6(4) . . ?
C27 C28 W 71.4(4) . . ?
C33 C28 W 127.3(5) . . ?
C28 C29 C30 107.6(6) . . ?
C28 C29 C34 126.6(7) . . ?
C30 C29 C34 125.5(8) . . ?
C28 C29 W 76.4(4) . . ?
C30 C29 W 70.1(4) . . ?
C34 C29 W 123.9(5) . . ?
C31 C30 C29 106.3(5) . . ?
C31 C30 C35 127.3(7) . . ?
C29 C30 C35 124.7(7) . . ?
C31 C30 W 72.8(4) . . ?
C29 C30 W 73.7(4) . . ?
C35 C30 W 130.4(5) . . ?
C27 C31 C30 108.7(5) . . ?
C27 C31 C36 125.0(6) . . ?
C30 C31 C36 125.5(6) . . ?
C27 C31 W 75.5(4) . . ?
C30 C31 W 71.0(4) . . ?
C36 C31 W 127.7(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 . . ?
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_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
O3 Si1 O2 W 22.6(3) . . . . ?
C15 Si1 O2 W 137.4(2) . . . . ?
C6 Si1 O2 W -97.2(3) . . . . ?
O2 Si1 O3 C2 -21.2(4) . . . . ?
C15 Si1 O3 C2 -143.2(4) . . . . ?
C6 Si1 O3 C2 98.5(4) . . . . ?
Si1 O3 C2 Si2 -175.4(2) . . . . ?
Si1 O3 C2 W 11.8(6) . . . . ?
C24 Si2 C2 O3 18.7(5) . . . . ?
C26 Si2 C2 O3 -97.6(4) . . . . ?
C25 Si2 C2 O3 139.1(4) . . . . ?
C24 Si2 C2 W -169.8(4) . . . . ?
C26 Si2 C2 W 73.9(5) . . . . ?
C25 Si2 C2 W -49.4(6) . . . . ?
C11 C6 C7 C8 -1.3(8) . . . . ?
Si1 C6 C7 C8 174.2(5) . . . . ?
C11 C6 C7 C12 179.3(5) . . . . ?
Si1 C6 C7 C12 -5.2(7) . . . . ?
C6 C7 C8 C9 1.3(9) . . . . ?
C12 C7 C8 C9 -179.3(6) . . . . ?
C7 C8 C9 C10 -0.2(10) . . . . ?
C7 C8 C9 C13 178.2(6) . . . . ?
C8 C9 C10 C11 -0.7(10) . . . . ?
C13 C9 C10 C11 -179.1(6) . . . . ?
C9 C10 C11 C6 0.6(10) . . . . ?
C9 C10 C11 C14 -178.0(6) . . . . ?
C7 C6 C11 C10 0.5(8) . . . . ?
Si1 C6 C11 C10 -174.7(5) . . . . ?
C7 C6 C11 C14 179.0(6) . . . . ?
Si1 C6 C11 C14 3.8(8) . . . . ?
C20 C15 C16 C17 0.3(8) . . . . ?
Si1 C15 C16 C17 179.6(4) . . . . ?
C20 C15 C16 C21 178.7(5) . . . . ?
Si1 C15 C16 C21 -2.0(8) . . . . ?
C15 C16 C17 C18 0.5(9) . . . . ?
C21 C16 C17 C18 -177.9(5) . . . . ?
C16 C17 C18 C19 -1.3(9) . . . . ?
C16 C17 C18 C22 177.5(6) . . . . ?
C17 C18 C19 C20 1.2(9) . . . . ?
C22 C18 C19 C20 -177.6(6) . . . . ?
C18 C19 C20 C15 -0.4(9) . . . . ?
C18 C19 C20 C23 178.1(6) . . . . ?
C16 C15 C20 C19 -0.4(8) . . . . ?
Si1 C15 C20 C19 -179.7(4) . . . . ?
C16 C15 C20 C23 -178.8(5) . . . . ?
Si1 C15 C20 C23 1.9(8) . . . . ?
C31 C27 C28 C29 2.9(8) . . . . ?
C32 C27 C28 C29 172.8(6) . . . . ?
W C27 C28 C29 -59.6(5) . . . . ?
C31 C27 C28 C33 -174.5(6) . . . . ?
C32 C27 C28 C33 -4.6(11) . . . . ?
W C27 C28 C33 122.9(7) . . . . ?
C31 C27 C28 W 62.6(5) . . . . ?
C32 C27 C28 W -127.5(6) . . . . ?
C27 C28 C29 C30 -2.9(8) . . . . ?
C33 C28 C29 C30 174.4(7) . . . . ?
W C28 C29 C30 -63.7(5) . . . . ?
C27 C28 C29 C34 -177.0(7) . . . . ?
C33 C28 C29 C34 0.4(12) . . . . ?
W C28 C29 C34 122.3(8) . . . . ?
C27 C28 C29 W 60.7(5) . . . . ?
C33 C28 C29 W -121.9(7) . . . . ?
C28 C29 C30 C31 1.8(7) . . . . ?
C34 C29 C30 C31 175.9(7) . . . . ?
W C29 C30 C31 -66.0(4) . . . . ?
C28 C29 C30 C35 -163.9(6) . . . . ?
C34 C29 C30 C35 10.2(12) . . . . ?
W C29 C30 C35 128.3(7) . . . . ?
C28 C29 C30 W 67.8(5) . . . . ?
C34 C29 C30 W -118.1(8) . . . . ?
C28 C27 C31 C30 -1.7(8) . . . . ?
C32 C27 C31 C30 -171.2(6) . . . . ?
W C27 C31 C30 63.7(5) . . . . ?
C28 C27 C31 C36 168.3(7) . . . . ?
C32 C27 C31 C36 -1.2(11) . . . . ?
W C27 C31 C36 -126.2(7) . . . . ?
C28 C27 C31 W -65.5(4) . . . . ?
C32 C27 C31 W 125.0(7) . . . . ?
C29 C30 C31 C27 0.0(7) . . . . ?
C35 C30 C31 C27 165.2(7) . . . . ?
W C30 C31 C27 -66.7(5) . . . . ?
C29 C30 C31 C36 -170.1(8) . . . . ?
C35 C30 C31 C36 -4.8(11) . . . . ?
W C30 C31 C36 123.3(7) . . . . ?
C29 C30 C31 W 66.7(5) . . . . ?
C35 C30 C31 W -128.1(7) . . . . ?

_refine_diff_density_max         1.758
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.100

_shelxl_version_number           2013-4

