# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_4167f
_database_code_depnum_ccdc_archive 'CCDC 1497789'
_audit_update_record             
;
2016-08-05 deposited with the CCDC.
2016-10-20 downloaded from the CCDC.
;
_audit_creation_date             2015-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        RK-53
_chemical_formula_moiety         'C24 H42 B O6 P Si2 W'
_chemical_formula_sum            'C24 H42 B O6 P Si2 W'
_chemical_formula_weight         708.38
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   19.042(6)
_cell_length_b                   9.093(3)
_cell_length_c                   35.451(11)
_cell_angle_alpha                90
_cell_angle_beta                 94.657(5)
_cell_angle_gamma                90
_cell_volume                     6118(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5051
_cell_measurement_temperature    100
_cell_measurement_theta_max      22.91
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.827
_shelx_estimated_absorpt_T_min   0.537
_exptl_absorpt_coefficient_mu    3.940
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5005
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1401 before and 0.0696 after correction.
The Ratio of minimum to maximum transmission is 0.6709.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0766
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            46080
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         2.306
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6000
_reflns_number_total             7330
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.015
_refine_diff_density_min         -2.134
_refine_diff_density_rms         0.175
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         7330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0241P)²+35.4457P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1087
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All P(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C8(H8), C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,
 H6B,H6C), C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
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 0.57147(2) 0.28569(2) 0.95059(2) 0.02107(8) Uani 1 1 d . . . . .
P P 0.63858(6) 0.39923(14) 0.90108(4) 0.0186(2) Uani 1 1 d . . . . .
H H 0.607(3) 0.528(6) 0.8925(15) 0.022 Uiso 1 1 d R . . . .
Si1 Si 0.73934(8) 0.66063(16) 0.90691(4) 0.0250(3) Uani 1 1 d . . . . .
Si2 Si 0.80075(7) 0.33547(15) 0.89403(4) 0.0202(3) Uani 1 1 d . . . . .
O1 O 0.64176(17) 0.3145(4) 0.86011(10) 0.0209(7) Uani 1 1 d . . . . .
O2 O 0.7026(2) 0.0971(5) 0.98455(12) 0.0412(11) Uani 1 1 d . . . . .
O3 O 0.6328(3) 0.5293(5) 1.00852(13) 0.0456(11) Uani 1 1 d . . . . .
O4 O 0.4510(2) 0.5119(5) 0.92219(13) 0.0415(11) Uani 1 1 d . . . . .
O5 O 0.5204(2) 0.0323(5) 0.89310(13) 0.0487(12) Uani 1 1 d . . . . .
O6 O 0.4716(2) 0.1620(5) 1.01052(12) 0.0389(10) Uani 1 1 d . . . . .
C1 C 0.7291(2) 0.4544(5) 0.91303(14) 0.0173(9) Uani 1 1 d . . . . .
H1 H 0.7359 0.4398 0.9411 0.021 Uiso 1 1 calc R . . . .
C2 C 0.7142(4) 0.7152(7) 0.85678(19) 0.0395(15) Uani 1 1 d . . . . .
H2A H 0.7270 0.8183 0.8531 0.059 Uiso 1 1 calc GR . . . .
H2B H 0.6633 0.7030 0.8512 0.059 Uiso 1 1 calc GR . . . .
H2C H 0.7392 0.6528 0.8397 0.059 Uiso 1 1 calc GR . . . .
C3 C 0.8321(3) 0.7197(6) 0.92036(19) 0.0347(13) Uani 1 1 d . . . . .
H3A H 0.8633 0.6784 0.9024 0.052 Uiso 1 1 calc GR . . . .
H3B H 0.8468 0.6843 0.9459 0.052 Uiso 1 1 calc GR . . . .
H3C H 0.8349 0.8273 0.9198 0.052 Uiso 1 1 calc GR . . . .
C4 C 0.6808(4) 0.7576(6) 0.9382(2) 0.0453(17) Uani 1 1 d . . . . .
H4A H 0.6819 0.8634 0.9332 0.068 Uiso 1 1 calc GR . . . .
H4B H 0.6970 0.7391 0.9647 0.068 Uiso 1 1 calc GR . . . .
H4C H 0.6324 0.7212 0.9332 0.068 Uiso 1 1 calc GR . . . .
C5 C 0.8231(3) 0.4024(6) 0.84651(16) 0.0293(12) Uani 1 1 d . . . . .
H5A H 0.8559 0.3335 0.8360 0.044 Uiso 1 1 calc GR . . . .
H5B H 0.8451 0.4997 0.8492 0.044 Uiso 1 1 calc GR . . . .
H5C H 0.7800 0.4091 0.8295 0.044 Uiso 1 1 calc GR . . . .
C6 C 0.7756(3) 0.1371(6) 0.89181(17) 0.0280(11) Uani 1 1 d . . . . .
H6A H 0.7317 0.1254 0.8757 0.042 Uiso 1 1 calc GR . . . .
H6B H 0.7688 0.1014 0.9174 0.042 Uiso 1 1 calc GR . . . .
H6C H 0.8131 0.0803 0.8812 0.042 Uiso 1 1 calc GR . . . .
C7 C 0.8800(3) 0.3471(7) 0.92845(17) 0.0311(12) Uani 1 1 d . . . . .
H7A H 0.9212 0.3096 0.9166 0.047 Uiso 1 1 calc GR . . . .
H7B H 0.8724 0.2880 0.9509 0.047 Uiso 1 1 calc GR . . . .
H7C H 0.8882 0.4498 0.9360 0.047 Uiso 1 1 calc GR . . . .
C8 C 0.6048(3) 0.1906(6) 0.79797(15) 0.0231(10) Uani 1 1 d . . . . .
H8 H 0.5712 0.2172 0.7759 0.028 Uiso 1 1 calc R . . . .
C9 C 0.5890(3) 0.0306(6) 0.80823(16) 0.0270(11) Uani 1 1 d . . . . .
H9A H 0.6195 0.0020 0.8310 0.032 Uiso 1 1 calc R . . . .
H9B H 0.5394 0.0230 0.8145 0.032 Uiso 1 1 calc R . . . .
C10 C 0.6010(3) -0.0751(6) 0.77620(17) 0.0306(12) Uani 1 1 d . . . . .
H10A H 0.5667 -0.0539 0.7544 0.037 Uiso 1 1 calc R . . . .
H10B H 0.5929 -0.1771 0.7846 0.037 Uiso 1 1 calc R . . . .
C11 C 0.6760(3) -0.0618(6) 0.76377(16) 0.0269(11) Uani 1 1 d . . . . .
H11A H 0.7103 -0.0937 0.7847 0.032 Uiso 1 1 calc R . . . .
H11B H 0.6813 -0.1272 0.7418 0.032 Uiso 1 1 calc R . . . .
C12 C 0.6917(3) 0.0962(6) 0.75294(16) 0.0274(11) Uani 1 1 d . . . . .
H12A H 0.7414 0.1036 0.7468 0.033 Uiso 1 1 calc R . . . .
H12B H 0.6613 0.1234 0.7300 0.033 Uiso 1 1 calc R . . . .
C13 C 0.6790(3) 0.2030(6) 0.78462(15) 0.0244(11) Uani 1 1 d . . . . .
H13A H 0.6864 0.3046 0.7757 0.029 Uiso 1 1 calc R . . . .
H13B H 0.7140 0.1842 0.8063 0.029 Uiso 1 1 calc R . . . .
C14 C 0.5163(2) 0.3806(5) 0.83270(14) 0.0213(10) Uani 1 1 d . . . . .
H14 H 0.5112 0.4093 0.8596 0.026 Uiso 1 1 calc R . . . .
C15 C 0.5216(3) 0.5227(7) 0.80952(19) 0.0362(14) Uani 1 1 d . . . . .
H15A H 0.5633 0.5794 0.8197 0.043 Uiso 1 1 calc R . . . .
H15B H 0.5286 0.4967 0.7830 0.043 Uiso 1 1 calc R . . . .
C16 C 0.4558(3) 0.6193(7) 0.8103(2) 0.0469(18) Uani 1 1 d . . . . .
H16A H 0.4515 0.6547 0.8364 0.056 Uiso 1 1 calc R . . . .
H16B H 0.4606 0.7062 0.7938 0.056 Uiso 1 1 calc R . . . .
C17 C 0.3902(3) 0.5341(7) 0.79672(19) 0.0383(15) Uani 1 1 d . . . . .
H17A H 0.3482 0.5961 0.7995 0.046 Uiso 1 1 calc R . . . .
H17B H 0.3918 0.5105 0.7695 0.046 Uiso 1 1 calc R . . . .
C18 C 0.3838(3) 0.3934(7) 0.81879(17) 0.0323(13) Uani 1 1 d . . . . .
H18A H 0.3424 0.3375 0.8078 0.039 Uiso 1 1 calc R . . . .
H18B H 0.3757 0.4177 0.8453 0.039 Uiso 1 1 calc R . . . .
C19 C 0.4496(3) 0.2972(6) 0.81833(18) 0.0310(12) Uani 1 1 d . . . . .
H19A H 0.4442 0.2096 0.8344 0.037 Uiso 1 1 calc R . . . .
H19B H 0.4545 0.2629 0.7922 0.037 Uiso 1 1 calc R . . . .
C20 C 0.6555(3) 0.1611(6) 0.97137(16) 0.0281(11) Uani 1 1 d . . . . .
C21 C 0.6099(3) 0.4438(6) 0.98765(15) 0.0266(11) Uani 1 1 d . . . . .
C22 C 0.4928(3) 0.4274(6) 0.93209(16) 0.0285(12) Uani 1 1 d . . . . .
C23 C 0.5382(3) 0.1231(6) 0.91390(16) 0.0305(12) Uani 1 1 d . . . . .
C24 C 0.5084(3) 0.2054(6) 0.98964(16) 0.0278(11) Uani 1 1 d . . . . .
B B 0.5883(3) 0.2952(6) 0.83151(17) 0.0205(11) Uani 1 1 d . . . . .


_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 P 2.4785(14) . ?
W C20 2.048(6) . ?
W C21 2.043(6) . ?
W C22 2.043(5) . ?
W C23 2.036(6) . ?
W C24 2.039(6) . ?
P H 1.34(5) . ?
P O1 1.650(4) . ?
P C1 1.813(5) . ?
Si1 C1 1.899(5) . ?
Si1 C2 1.870(6) . ?
Si1 C3 1.871(6) . ?
Si1 C4 1.858(7) . ?
Si2 C1 1.906(5) . ?
Si2 C5 1.872(6) . ?
Si2 C6 1.867(6) . ?
Si2 C7 1.865(5) . ?
O1 B 1.389(6) . ?
O2 C20 1.138(7) . ?
O3 C21 1.136(7) . ?
O4 C22 1.141(6) . ?
O5 C23 1.140(7) . ?
O6 C24 1.132(7) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8 1.0000 . ?
C8 C9 1.535(7) . ?
C8 C13 1.530(7) . ?
C8 B 1.574(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.519(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.534(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.523(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.519(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14 1.0000 . ?
C14 C15 1.539(8) . ?
C14 C19 1.530(7) . ?
C14 B 1.579(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.531(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.515(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.510(9) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.531(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?

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
C20 W P 93.01(17) . . ?
C21 W P 89.08(15) . . ?
C21 W C20 85.9(2) . . ?
C21 W C22 88.7(2) . . ?
C22 W P 85.22(15) . . ?
C22 W C20 174.4(2) . . ?
C23 W P 90.10(15) . . ?
C23 W C20 91.3(2) . . ?
C23 W C21 177.0(2) . . ?
C23 W C22 94.1(2) . . ?
C23 W C24 90.2(2) . . ?
C24 W P 174.49(15) . . ?
C24 W C20 92.5(2) . . ?
C24 W C21 90.9(2) . . ?
C24 W C22 89.3(2) . . ?
W P H 106(2) . . ?
O1 P W 119.13(14) . . ?
O1 P H 105(2) . . ?
O1 P C1 103.5(2) . . ?
C1 P W 119.03(17) . . ?
C1 P H 102(2) . . ?
C2 Si1 C1 110.5(3) . . ?
C2 Si1 C3 109.2(3) . . ?
C3 Si1 C1 110.9(2) . . ?
C4 Si1 C1 109.2(3) . . ?
C4 Si1 C2 108.8(3) . . ?
C4 Si1 C3 108.2(3) . . ?
C5 Si2 C1 110.8(2) . . ?
C6 Si2 C1 112.0(2) . . ?
C6 Si2 C5 110.6(3) . . ?
C7 Si2 C1 107.5(2) . . ?
C7 Si2 C5 109.8(3) . . ?
C7 Si2 C6 105.9(3) . . ?
B O1 P 128.7(3) . . ?
P C1 Si1 110.5(2) . . ?
P C1 Si2 117.0(2) . . ?
P C1 H1 103.8 . . ?
Si1 C1 Si2 115.9(2) . . ?
Si1 C1 H1 103.8 . . ?
Si2 C1 H1 103.8 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 H8 106.8 . . ?
C9 C8 B 109.8(4) . . ?
C13 C8 H8 106.8 . . ?
C13 C8 C9 110.3(4) . . ?
C13 C8 B 115.8(4) . . ?
B C8 H8 106.8 . . ?
C8 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C10 C9 C8 112.2(5) . . ?
C10 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
C9 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C9 C10 C11 111.4(5) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 C10 110.7(4) . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C13 C12 C11 111.8(5) . . ?
C13 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C8 C13 H13A 109.0 . . ?
C8 C13 H13B 109.0 . . ?
C12 C13 C8 112.8(4) . . ?
C12 C13 H13A 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C15 C14 H14 107.8 . . ?
C15 C14 B 107.7(4) . . ?
C19 C14 H14 107.8 . . ?
C19 C14 C15 109.1(4) . . ?
C19 C14 B 116.5(4) . . ?
B C14 H14 107.8 . . ?
C14 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 C14 112.5(5) . . ?
C16 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 C15 110.8(5) . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 107.9 . . ?
C18 C17 C16 111.7(5) . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C17 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
C17 C18 C19 112.2(5) . . ?
H18A C18 H18B 107.9 . . ?
C19 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C14 C19 C18 111.8(5) . . ?
C14 C19 H19A 109.3 . . ?
C14 C19 H19B 109.3 . . ?
C18 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
O2 C20 W 176.3(5) . . ?
O3 C21 W 178.1(5) . . ?
O4 C22 W 176.8(5) . . ?
O5 C23 W 179.0(5) . . ?
O6 C24 W 177.7(5) . . ?
O1 B C8 116.6(4) . . ?
O1 B C14 120.3(5) . . ?
C8 B C14 123.0(4) . . ?

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
W P O1 B 70.3(4) . . . . ?
W P C1 Si1 -118.1(2) . . . . ?
W P C1 Si2 106.3(2) . . . . ?
P O1 B C8 -171.9(3) . . . . ?
P O1 B C14 10.4(7) . . . . ?
O1 P C1 Si1 107.1(3) . . . . ?
O1 P C1 Si2 -28.6(3) . . . . ?
C1 P O1 B -154.9(4) . . . . ?
C2 Si1 C1 P -60.2(4) . . . . ?
C2 Si1 C1 Si2 76.0(3) . . . . ?
C3 Si1 C1 P 178.5(3) . . . . ?
C3 Si1 C1 Si2 -45.3(4) . . . . ?
C4 Si1 C1 P 59.4(4) . . . . ?
C4 Si1 C1 Si2 -164.4(3) . . . . ?
C8 C9 C10 C11 55.7(6) . . . . ?
C9 C8 C13 C12 53.1(6) . . . . ?
C9 C8 B O1 86.0(5) . . . . ?
C9 C8 B C14 -96.4(6) . . . . ?
C9 C10 C11 C12 -55.5(6) . . . . ?
C10 C11 C12 C13 54.8(6) . . . . ?
C11 C12 C13 C8 -54.6(6) . . . . ?
C13 C8 C9 C10 -53.7(6) . . . . ?
C13 C8 B O1 -39.7(7) . . . . ?
C13 C8 B C14 137.9(5) . . . . ?
C14 C15 C16 C17 -55.9(8) . . . . ?
C15 C14 C19 C18 -54.8(6) . . . . ?
C15 C14 B O1 93.8(6) . . . . ?
C15 C14 B C8 -83.7(6) . . . . ?
C15 C16 C17 C18 54.3(8) . . . . ?
C16 C17 C18 C19 -54.5(7) . . . . ?
C17 C18 C19 C14 55.4(7) . . . . ?
C19 C14 C15 C16 55.7(7) . . . . ?
C19 C14 B O1 -143.4(5) . . . . ?
C19 C14 B C8 39.1(7) . . . . ?
B C8 C9 C10 177.6(4) . . . . ?
B C8 C13 C12 178.5(4) . . . . ?
B C14 C15 C16 -177.1(5) . . . . ?
B C14 C19 C18 -176.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'


###

data_3853f
_audit_block_doi                 10.5517/ccdc.csd.cc1lc1vv
_database_code_depnum_ccdc_archive 'CCDC 1470387'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/C6CC04667C 2016
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-10-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H23 O6 P Si2 W'
_chemical_formula_weight         558.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   9.7786(5)
_cell_length_b                   9.9521(4)
_cell_length_c                   21.9977(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2140.76(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5772
_cell_measurement_theta_max      29.18
_cell_measurement_theta_min      2.28
_exptl_crystal_description       block
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_F_000             1088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    5.606
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5298
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0971 before and 0.0572 after correction.
The Ratio of minimum to maximum transmission is 0.7102.
The λ/2 correction factor is 0.00150.
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_device_type  'Bruker X8-KappaApexII'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0

_diffrn_detector_area_resol_mean 8
_diffrn_reflns_number            15593
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.064
_diffrn_reflns_theta_max         27.986
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             5137
_reflns_number_gt                4890
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.767
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    0.999

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5137
_refine_ls_number_parameters     218
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0221
_refine_ls_wR_factor_ref         0.0376
_refine_ls_wR_factor_gt          0.0369
_refine_ls_goodness_of_fit_ref   0.886
_refine_ls_restrained_S_all      0.886
_refine_ls_shift/su_max          0.004
_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 -0.09950(2) -0.01884(2) -0.81460(2) 0.01335(5) Uani 1 1 d . . . . .
P P -0.34356(12) 0.03184(12) -0.83072(4) 0.0114(2) Uani 1 1 d . . . . .
Si1 Si -0.50095(17) 0.23633(13) -0.91224(6) 0.0206(3) Uani 1 1 d . . . . .
Si2 Si -0.47290(16) -0.07814(13) -0.95074(6) 0.0191(3) Uani 1 1 d . . . . .
O1 O -0.4056(4) 0.1493(3) -0.78384(12) 0.0165(7) Uani 1 1 d . . . . .
O2 O 0.2044(4) -0.0966(4) -0.78039(16) 0.0315(9) Uani 1 1 d . . . . .
O3 O -0.0586(4) -0.0997(3) -0.95299(14) 0.0322(11) Uani 1 1 d . . . . .
O4 O -0.1825(4) -0.3222(4) -0.78811(16) 0.0320(10) Uani 1 1 d . . . . .
O5 O -0.1536(4) 0.0714(4) -0.67728(13) 0.0322(9) Uani 1 1 d . . . . .
O6 O -0.0261(4) 0.2865(3) -0.84552(15) 0.0284(9) Uani 1 1 d . . . . .
C1 C -0.4849(5) 0.0527(5) -0.74828(19) 0.0218(12) Uani 1 1 d . . . . .
H1A H -0.5810 0.0816 -0.7429 0.026 Uiso 1 1 calc R U . . .
H1B H -0.4431 0.0349 -0.7081 0.026 Uiso 1 1 calc R U . . .
C2 C -0.4727(5) -0.0683(5) -0.79104(19) 0.0168(11) Uani 1 1 d . . . . .
H2A H -0.5559 -0.0870 -0.8152 0.020 Uiso 1 1 calc R U . . .
H2B H -0.4369 -0.1508 -0.7716 0.020 Uiso 1 1 calc R U . . .
C3 C -0.4012(6) 0.0726(4) -0.90669(16) 0.0136(9) Uani 1 1 d . . . . .
H3 H -0.3143 0.0934 -0.9287 0.016 Uiso 1 1 calc R U . . .
C4 C -0.6638(5) 0.2350(5) -0.8689(2) 0.0294(13) Uani 1 1 d . . . . .
H4A H -0.7218 0.1613 -0.8834 0.044 Uiso 1 1 calc R U . . .
H4B H -0.6443 0.2223 -0.8255 0.044 Uiso 1 1 calc R U . . .
H4C H -0.7114 0.3207 -0.8747 0.044 Uiso 1 1 calc R U . . .
C5 C -0.3863(7) 0.3749(4) -0.8864(2) 0.0305(14) Uani 1 1 d . . . . .
H5A H -0.3014 0.3731 -0.9101 0.046 Uiso 1 1 calc R U . . .
H5B H -0.4323 0.4614 -0.8924 0.046 Uiso 1 1 calc R U . . .
H5C H -0.3651 0.3630 -0.8432 0.046 Uiso 1 1 calc R U . . .
C6 C -0.5429(7) 0.2677(5) -0.9942(2) 0.0384(17) Uani 1 1 d . . . . .
H6A H -0.4584 0.2689 -1.0181 0.058 Uiso 1 1 calc R U . . .
H6B H -0.6030 0.1961 -1.0092 0.058 Uiso 1 1 calc R U . . .
H6C H -0.5894 0.3545 -0.9982 0.058 Uiso 1 1 calc R U . . .
C7 C -0.6627(6) -0.0870(6) -0.9482(2) 0.0310(14) Uani 1 1 d . . . . .
H7A H -0.7013 -0.0031 -0.9640 0.046 Uiso 1 1 calc R U . . .
H7B H -0.6942 -0.1625 -0.9732 0.046 Uiso 1 1 calc R U . . .
H7C H -0.6927 -0.1001 -0.9061 0.046 Uiso 1 1 calc R U . . .
C8 C -0.4121(7) -0.0608(5) -1.03081(17) 0.0316(14) Uani 1 1 d . . . . .
H8A H -0.3120 -0.0563 -1.0313 0.047 Uiso 1 1 calc R U . . .
H8B H -0.4425 -0.1386 -1.0546 0.047 Uiso 1 1 calc R U . . .
H8C H -0.4499 0.0215 -1.0486 0.047 Uiso 1 1 calc R U . . .
C9 C -0.4056(7) -0.2401(4) -0.92019(18) 0.0248(12) Uani 1 1 d . . . . .
H9A H -0.3054 -0.2385 -0.9209 0.037 Uiso 1 1 calc R U . . .
H9B H -0.4373 -0.2522 -0.8783 0.037 Uiso 1 1 calc R U . . .
H9C H -0.4387 -0.3146 -0.9453 0.037 Uiso 1 1 calc R U . . .
C10 C 0.0961(6) -0.0661(5) -0.7940(2) 0.0215(10) Uani 1 1 d . . . . .
C11 C -0.0725(5) -0.0700(4) -0.9029(2) 0.0198(12) Uani 1 1 d . . . . .
C12 C -0.1518(5) -0.2121(5) -0.7970(2) 0.0208(11) Uani 1 1 d . . . . .
C13 C -0.1334(5) 0.0379(5) -0.7260(2) 0.0209(11) Uani 1 1 d . . . . .
C14 C -0.0522(5) 0.1775(5) -0.83468(19) 0.0192(11) Uani 1 1 d . . . . .


_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 C10 2.022(6) . ?
W C11 2.025(5) . ?
W C12 2.028(5) . ?
W C14 2.056(5) . ?
W C13 2.056(5) . ?
W P 2.4649(12) . ?
P O1 1.672(3) . ?
P C3 1.810(4) . ?
P C2 1.830(5) . ?
Si1 C4 1.857(5) . ?
Si1 C5 1.866(5) . ?
Si1 C6 1.876(5) . ?
Si1 C3 1.903(5) . ?
Si2 C7 1.859(6) . ?
Si2 C9 1.866(5) . ?
Si2 C8 1.867(4) . ?
Si2 C3 1.918(4) . ?
O1 C1 1.462(5) . ?
O2 C10 1.141(6) . ?
O3 C11 1.149(5) . ?
O4 C12 1.153(6) . ?
O5 C13 1.140(5) . ?
O6 C14 1.140(5) . ?
C1 C2 1.532(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?

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
C10 W C11 91.91(19) . . ?
C10 W C12 88.6(2) . . ?
C11 W C12 88.69(18) . . ?
C10 W C14 93.2(2) . . ?
C11 W C14 90.19(17) . . ?
C12 W C14 177.9(2) . . ?
C10 W C13 90.21(18) . . ?
C11 W C13 177.7(2) . . ?
C12 W C13 92.26(19) . . ?
C14 W C13 88.80(18) . . ?
C10 W P 174.95(13) . . ?
C11 W P 92.28(15) . . ?
C12 W P 88.71(15) . . ?
C14 W P 89.58(15) . . ?
C13 W P 85.66(13) . . ?
O1 P C3 107.44(18) . . ?
O1 P C2 80.57(19) . . ?
C3 P C2 110.3(2) . . ?
O1 P W 113.91(14) . . ?
C3 P W 118.72(18) . . ?
C2 P W 119.22(17) . . ?
C4 Si1 C5 111.3(3) . . ?
C4 Si1 C6 107.9(3) . . ?
C5 Si1 C6 107.5(3) . . ?
C4 Si1 C3 113.6(2) . . ?
C5 Si1 C3 107.8(2) . . ?
C6 Si1 C3 108.5(2) . . ?
C7 Si2 C9 107.5(3) . . ?
C7 Si2 C8 110.5(3) . . ?
C9 Si2 C8 107.9(2) . . ?
C7 Si2 C3 112.7(2) . . ?
C9 Si2 C3 111.4(2) . . ?
C8 Si2 C3 106.7(2) . . ?
C1 O1 P 93.6(2) . . ?
O1 C1 C2 98.4(3) . . ?
O1 C1 H1A 112.1 . . ?
C2 C1 H1A 112.1 . . ?
O1 C1 H1B 112.1 . . ?
C2 C1 H1B 112.1 . . ?
H1A C1 H1B 109.7 . . ?
C1 C2 P 85.4(3) . . ?
C1 C2 H2A 114.4 . . ?
P C2 H2A 114.4 . . ?
C1 C2 H2B 114.4 . . ?
P C2 H2B 114.4 . . ?
H2A C2 H2B 111.5 . . ?
P C3 Si1 114.3(2) . . ?
P C3 Si2 113.9(2) . . ?
Si1 C3 Si2 116.7(3) . . ?
P C3 H3 103.2 . . ?
Si1 C3 H3 103.2 . . ?
Si2 C3 H3 103.2 . . ?
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 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O2 C10 W 177.0(4) . . ?
O3 C11 W 179.2(5) . . ?
O4 C12 W 178.7(4) . . ?
O5 C13 W 178.7(4) . . ?
O6 C14 W 179.7(4) . . ?

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
C3 P O1 C1 118.7(3) . . . . ?
C2 P O1 C1 10.2(3) . . . . ?
W P O1 C1 -107.7(3) . . . . ?
P O1 C1 C2 -12.2(3) . . . . ?
O1 C1 C2 P 11.1(3) . . . . ?
O1 P C2 C1 -9.8(3) . . . . ?
C3 P C2 C1 -115.0(3) . . . . ?
W P C2 C1 102.4(3) . . . . ?
O1 P C3 Si1 3.9(3) . . . . ?
C2 P C3 Si1 90.0(3) . . . . ?
W P C3 Si1 -127.2(2) . . . . ?
O1 P C3 Si2 -133.8(3) . . . . ?
C2 P C3 Si2 -47.7(3) . . . . ?
W P C3 Si2 95.1(3) . . . . ?

_refine_diff_density_max         0.450
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.093

_shelxl_version_number           2014/6

