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#$Date: 2024-08-05 20:24:38 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293690 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/33/7133313.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7133313
loop_
_publ_author_name
'Ishida, Shintaro'
'Yoshida, Yusuke'
'Iwamoto, Takeaki'
_publ_section_title
;
 Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane
 to a thiaphosphirane.
;
_journal_issue                   63
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8288
_journal_page_last               8291
_journal_paper_doi               10.1039/d4cc02147a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C36 H48 Cl P Si4'
_chemical_formula_weight         659.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-02 deposited with the CCDC.	2024-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.240(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1335(5)
_cell_length_b                   13.1016(3)
_cell_length_c                   16.7859(4)
_cell_measurement_reflns_used    13047
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.1230
_cell_measurement_theta_min      2.4660
_cell_volume                     3547.28(16)
_computing_cell_refinement       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32282
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.525
_diffrn_source                   'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    0.313
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38192
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_description       plate
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.147
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         8108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0376P)²+5.4025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7305
_reflns_number_total             8108
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc02147a3.cif
_cod_data_source_block           si021a
_cod_depositor_comments
'Adding full bibliography for 7133312--7133316.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7133313
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.940
_shelx_estimated_absorpt_t_max   0.975
_oxdiff_exptl_absorpt_empirical_full_min 0.524
_oxdiff_exptl_absorpt_empirical_full_max 2.250
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.14420(7) 0.81204(7) 0.01844(5) 0.01877(19) Uani 0.799(2) 1 d . . P A 1
Cl1 Cl 0.26204(4) 0.87261(5) 0.04717(4) 0.0245(2) Uani 0.799(2) 1 d . . P A 1
C1 C 0.11864(13) 0.71461(18) 0.09769(12) 0.0203(4) Uani 1 1 d . . . . .
C2 C 0.13504(14) 0.60988(18) 0.05516(13) 0.0236(5) Uani 1 1 d . . . . .
H1 H 0.192893 0.587689 0.065769 0.028 Uiso 1 1 calc R U . . .
H2 H 0.097355 0.556933 0.075800 0.028 Uiso 1 1 calc R U . . .
C3 C 0.11994(14) 0.62383(17) -0.03425(13) 0.0224(4) Uani 1 1 d . . . . .
H3 H 0.060194 0.634834 -0.045904 0.027 Uiso 1 1 calc R U . . .
H4 H 0.138055 0.562330 -0.063389 0.027 Uiso 1 1 calc R U . . .
C4 C 0.17118(13) 0.71910(17) -0.06062(12) 0.0206(4) Uani 1 1 d . . . . .
P2 P 0.1787(3) 0.7956(3) 0.0388(3) 0.0288(9) Uani 0.201(2) 1 d . . P A 2
Cl2 Cl 0.0914(2) 0.9156(2) 0.0272(2) 0.0371(9) Uani 0.201(2) 1 d . . P A 2
Si1 Si 0.17896(4) 0.72658(6) 0.19702(4) 0.02406(15) Uani 1 1 d . . . . .
C5 C 0.18551(15) 0.8610(2) 0.23447(14) 0.0323(6) Uani 1 1 d . . . . .
H5 H 0.215736 0.862238 0.285737 0.048 Uiso 1 1 calc R U . . .
H6 H 0.129460 0.887999 0.241376 0.048 Uiso 1 1 calc R U . . .
H7 H 0.214748 0.903223 0.195910 0.048 Uiso 1 1 calc R U . . .
C6 C 0.28632(14) 0.6752(2) 0.19218(14) 0.0348(6) Uani 1 1 d . . . . .
H8 H 0.316143 0.710303 0.149963 0.052 Uiso 1 1 calc R U . . .
H9 H 0.284120 0.601881 0.180620 0.052 Uiso 1 1 calc R U . . .
H10 H 0.315211 0.686238 0.243409 0.052 Uiso 1 1 calc R U . . .
C7 C 0.12930(13) 0.6440(2) 0.27486(13) 0.0261(5) Uani 1 1 d . . . . .
C8 C 0.09530(13) 0.6829(2) 0.34449(13) 0.0279(5) Uani 1 1 d . . . . .
H11 H 0.092233 0.754727 0.351503 0.034 Uiso 1 1 calc R U . . .
C9 C 0.06585(15) 0.6191(2) 0.40376(15) 0.0357(6) Uani 1 1 d . . . . .
H12 H 0.043897 0.647583 0.450886 0.043 Uiso 1 1 calc R U . . .
C10 C 0.06843(17) 0.5153(3) 0.39434(17) 0.0418(7) Uani 1 1 d . . . . .
H13 H 0.048260 0.471698 0.434799 0.050 Uiso 1 1 calc R U . . .
C11 C 0.10050(18) 0.4742(2) 0.32573(18) 0.0424(7) Uani 1 1 d . . . . .
H14 H 0.101426 0.402299 0.318484 0.051 Uiso 1 1 calc R U . . .
C12 C 0.13134(16) 0.5379(2) 0.26744(15) 0.0343(6) Uani 1 1 d . . . . .
H15 H 0.154485 0.508604 0.221192 0.041 Uiso 1 1 calc R U . . .
Si2 Si 0.00212(3) 0.73177(5) 0.11982(3) 0.01782(13) Uani 1 1 d . . . . .
C13 C -0.01705(15) 0.8413(2) 0.18818(14) 0.0298(5) Uani 1 1 d . . . . .
H16 H -0.076885 0.850433 0.194189 0.045 Uiso 1 1 calc R U . . .
H17 H 0.006760 0.903618 0.165831 0.045 Uiso 1 1 calc R U . . .
H18 H 0.008906 0.827445 0.240376 0.045 Uiso 1 1 calc R U . . .
C14 C -0.04121(14) 0.61413(19) 0.16665(14) 0.0263(5) Uani 1 1 d . . . . .
H19 H -0.021533 0.609574 0.222183 0.039 Uiso 1 1 calc R U . . .
H20 H -0.022864 0.553819 0.137338 0.039 Uiso 1 1 calc R U . . .
H21 H -0.101905 0.617428 0.164948 0.039 Uiso 1 1 calc R U . . .
C15 C -0.06908(13) 0.7546(2) 0.03162(13) 0.0250(5) Uani 1 1 d . . . . .
C16 C -0.10784(15) 0.6724(2) -0.00763(14) 0.0353(6) Uani 1 1 d . . . . .
H22 H -0.091009 0.604709 0.005005 0.042 Uiso 1 1 calc R U . . .
C17 C -0.17008(17) 0.6878(3) -0.06437(16) 0.0551(10) Uani 1 1 d . . . . .
H23 H -0.195243 0.631190 -0.090664 0.066 Uiso 1 1 calc R U . . .
C18 C -0.19526(17) 0.7852(4) -0.08246(17) 0.0652(13) Uani 1 1 d . . . . .
H24 H -0.238841 0.795704 -0.120543 0.078 Uiso 1 1 calc R U . . .
C19 C -0.1578(2) 0.8683(3) -0.04574(17) 0.0634(12) Uani 1 1 d . . . . .
H25 H -0.174978 0.935560 -0.059250 0.076 Uiso 1 1 calc R U . . .
C20 C -0.09469(19) 0.8531(2) 0.01111(15) 0.0416(7) Uani 1 1 d . . . . .
H26 H -0.068928 0.910310 0.036103 0.050 Uiso 1 1 calc R U . . .
Si3 Si 0.12609(4) 0.78499(6) -0.15542(4) 0.02669(16) Uani 1 1 d . . . . .
C21 C 0.01100(17) 0.7849(3) -0.15786(17) 0.0576(11) Uani 1 1 d . . . . .
H27 H -0.009291 0.824156 -0.112568 0.086 Uiso 1 1 calc R U . . .
H28 H -0.009218 0.714527 -0.154610 0.086 Uiso 1 1 calc R U . . .
H29 H -0.009243 0.815991 -0.207691 0.086 Uiso 1 1 calc R U . . .
C22 C 0.1624(2) 0.9201(2) -0.16077(16) 0.0418(7) Uani 1 1 d . . . . .
H30 H 0.136007 0.953813 -0.206851 0.063 Uiso 1 1 calc R U . . .
H31 H 0.222752 0.921341 -0.166330 0.063 Uiso 1 1 calc R U . . .
H32 H 0.147557 0.956133 -0.111938 0.063 Uiso 1 1 calc R U . . .
C23 C 0.15214(14) 0.71945(19) -0.25095(14) 0.0244(5) Uani 1 1 d . . . . .
C24 C 0.11548(15) 0.6255(2) -0.27073(16) 0.0335(6) Uani 1 1 d . . . . .
H33 H 0.080119 0.593746 -0.233612 0.040 Uiso 1 1 calc R U . . .
C25 C 0.12930(18) 0.5780(2) -0.34250(19) 0.0423(7) Uani 1 1 d . . . . .
H34 H 0.104222 0.513918 -0.354006 0.051 Uiso 1 1 calc R U . . .
C26 C 0.17975(17) 0.6238(3) -0.39777(18) 0.0442(7) Uani 1 1 d . . . . .
H35 H 0.189744 0.591014 -0.447126 0.053 Uiso 1 1 calc R U . . .
C27 C 0.21529(16) 0.7167(3) -0.38095(15) 0.0391(7) Uani 1 1 d . . . . .
H36 H 0.249282 0.748869 -0.419062 0.047 Uiso 1 1 calc R U . . .
C28 C 0.20161(14) 0.7639(2) -0.30828(14) 0.0271(5) Uani 1 1 d . . . . .
H37 H 0.226708 0.828132 -0.297445 0.032 Uiso 1 1 calc R U . . .
Si4 Si 0.28448(4) 0.67884(5) -0.08148(4) 0.02119(14) Uani 1 1 d . . . . .
C29 C 0.28096(16) 0.5622(2) -0.14583(17) 0.0383(6) Uani 1 1 d . . . . .
H38 H 0.252020 0.578094 -0.196250 0.058 Uiso 1 1 calc R U . . .
H39 H 0.251420 0.507648 -0.118380 0.058 Uiso 1 1 calc R U . . .
H40 H 0.337603 0.539879 -0.156566 0.058 Uiso 1 1 calc R U . . .
C30 C 0.34193(15) 0.7800(2) -0.13563(15) 0.0326(6) Uani 1 1 d . . . . .
H41 H 0.398528 0.756572 -0.145294 0.049 Uiso 1 1 calc R U . . .
H42 H 0.343863 0.842310 -0.103397 0.049 Uiso 1 1 calc R U . . .
H43 H 0.313589 0.794128 -0.186663 0.049 Uiso 1 1 calc R U . . .
C31 C 0.35747(13) 0.63998(19) 0.00282(13) 0.0239(5) Uani 1 1 d . . . . .
C32 C 0.41864(14) 0.7071(2) 0.03218(15) 0.0316(5) Uani 1 1 d . . . . .
H44 H 0.417763 0.776172 0.014889 0.038 Uiso 1 1 calc R U . . .
C33 C 0.48029(16) 0.6760(3) 0.08558(16) 0.0460(8) Uani 1 1 d . . . . .
H45 H 0.520722 0.723396 0.104386 0.055 Uiso 1 1 calc R U . . .
C34 C 0.48288(19) 0.5769(3) 0.11117(18) 0.0538(10) Uani 1 1 d . . . . .
H46 H 0.524543 0.555751 0.148463 0.065 Uiso 1 1 calc R U . . .
C35 C 0.4252(2) 0.5081(3) 0.08289(18) 0.0519(9) Uani 1 1 d . . . . .
H47 H 0.427695 0.439076 0.100006 0.062 Uiso 1 1 calc R U . . .
C36 C 0.36265(18) 0.5391(2) 0.02900(16) 0.0362(6) Uani 1 1 d . . . . .
H48 H 0.323149 0.490631 0.009978 0.043 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 P1 C1 96.76(10) . . ?
C4 P1 Cl1 100.72(8) . . ?
C1 P1 Cl1 107.58(8) . . ?
C2 C1 P2 99.86(19) . . ?
C2 C1 P1 103.16(14) . . ?
C2 C1 Si1 112.26(15) . . ?
P2 C1 Si1 99.4(2) . . ?
P1 C1 Si1 116.16(12) . . ?
C2 C1 Si2 111.22(14) . . ?
P2 C1 Si2 126.0(2) . . ?
P1 C1 Si2 106.45(11) . . ?
Si1 C1 Si2 107.45(10) . . ?
C3 C2 C1 108.49(18) . . ?
C2 C3 C4 107.42(18) . . ?
C3 C4 P1 100.78(14) . . ?
C3 C4 Si3 113.32(15) . . ?
P1 C4 Si3 101.81(11) . . ?
C3 C4 Si4 109.83(15) . . ?
P1 C4 Si4 122.85(12) . . ?
Si3 C4 Si4 108.12(10) . . ?
C3 C4 P2 101.06(17) . . ?
Si3 C4 P2 119.3(2) . . ?
Si4 C4 P2 104.63(19) . . ?
C1 P2 C4 98.4(2) . . ?
C1 P2 Cl2 97.2(2) . . ?
C4 P2 Cl2 105.9(3) . . ?
C6 Si1 C5 108.01(13) . . ?
C6 Si1 C7 103.42(12) . . ?
C5 Si1 C7 109.17(11) . . ?
C6 Si1 C1 112.79(10) . . ?
C5 Si1 C1 113.11(11) . . ?
C7 Si1 C1 109.86(10) . . ?
C12 C7 C8 116.6(2) . . ?
C12 C7 Si1 119.84(18) . . ?
C8 C7 Si1 123.4(2) . . ?
C9 C8 C7 121.7(3) . . ?
C10 C9 C8 120.1(2) . . ?
C9 C10 C11 119.7(3) . . ?
C10 C11 C12 120.0(3) . . ?
C11 C12 C7 121.8(2) . . ?
C13 Si2 C14 107.84(12) . . ?
C13 Si2 C15 104.79(11) . . ?
C14 Si2 C15 103.56(11) . . ?
C13 Si2 C1 112.41(10) . . ?
C14 Si2 C1 110.96(10) . . ?
C15 Si2 C1 116.54(9) . . ?
C20 C15 C16 117.9(2) . . ?
C20 C15 Si2 120.9(2) . . ?
C16 C15 Si2 120.5(2) . . ?
C17 C16 C15 121.4(3) . . ?
C18 C17 C16 119.7(3) . . ?
C17 C18 C19 120.6(3) . . ?
C18 C19 C20 119.9(3) . . ?
C19 C20 C15 120.5(3) . . ?
C21 Si3 C22 108.32(17) . . ?
C21 Si3 C23 102.91(13) . . ?
C22 Si3 C23 108.46(11) . . ?
C21 Si3 C4 112.05(11) . . ?
C22 Si3 C4 110.43(12) . . ?
C23 Si3 C4 114.28(10) . . ?
C28 C23 C24 116.7(2) . . ?
C28 C23 Si3 122.87(19) . . ?
C24 C23 Si3 120.22(18) . . ?
C25 C24 C23 121.9(3) . . ?
C24 C25 C26 119.9(3) . . ?
C27 C26 C25 119.7(3) . . ?
C26 C27 C28 120.1(3) . . ?
C27 C28 C23 121.7(2) . . ?
C30 Si4 C29 107.93(13) . . ?
C30 Si4 C31 104.36(11) . . ?
C29 Si4 C31 102.87(12) . . ?
C30 Si4 C4 112.01(11) . . ?
C29 Si4 C4 108.00(11) . . ?
C31 Si4 C4 120.77(9) . . ?
C36 C31 C32 116.5(2) . . ?
C36 C31 Si4 121.5(2) . . ?
C32 C31 Si4 121.05(18) . . ?
C33 C32 C31 122.1(3) . . ?
C34 C33 C32 120.0(3) . . ?
C33 C34 C35 119.9(3) . . ?
C34 C35 C36 120.5(3) . . ?
C31 C36 C35 121.0(3) . . ?
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
P1 C4 1.860(2) . ?
P1 C1 1.896(2) . ?
P1 Cl1 2.1064(12) . ?
C1 C2 1.572(3) . ?
C1 P2 1.757(4) . ?
C1 Si1 1.919(2) . ?
C1 Si2 1.937(2) . ?
C2 C3 1.526(3) . ?
C3 C4 1.566(3) . ?
C4 Si3 1.938(2) . ?
C4 Si4 1.942(2) . ?
C4 P2 1.948(4) . ?
P2 Cl2 2.117(6) . ?
Si1 C6 1.862(2) . ?
Si1 C5 1.873(3) . ?
Si1 C7 1.888(3) . ?
C7 C12 1.396(4) . ?
C7 C8 1.398(3) . ?
C8 C9 1.391(4) . ?
C9 C10 1.370(4) . ?
C10 C11 1.382(4) . ?
C11 C12 1.387(4) . ?
Si2 C13 1.868(2) . ?
Si2 C14 1.872(2) . ?
Si2 C15 1.878(2) . ?
C15 C20 1.396(4) . ?
C15 C16 1.402(4) . ?
C16 C17 1.384(4) . ?
C17 C18 1.371(6) . ?
C18 C19 1.384(6) . ?
C19 C20 1.394(4) . ?
Si3 C21 1.856(3) . ?
Si3 C22 1.868(3) . ?
Si3 C23 1.875(2) . ?
C23 C28 1.391(3) . ?
C23 C24 1.402(4) . ?
C24 C25 1.379(4) . ?
C25 C26 1.384(5) . ?
C26 C27 1.373(4) . ?
C27 C28 1.389(3) . ?
Si4 C30 1.865(3) . ?
Si4 C29 1.871(3) . ?
Si4 C31 1.891(2) . ?
C31 C36 1.395(4) . ?
C31 C32 1.403(4) . ?
C32 C33 1.386(4) . ?
C33 C34 1.367(5) . ?
C34 C35 1.373(5) . ?
C35 C36 1.400(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
C4 P1 C1 C2 0.84(15) . . . . ?
Cl1 P1 C1 C2 -102.70(13) . . . . ?
C4 P1 C1 Si1 124.09(13) . . . . ?
Cl1 P1 C1 Si1 20.56(14) . . . . ?
C4 P1 C1 Si2 -116.34(11) . . . . ?
Cl1 P1 C1 Si2 140.13(8) . . . . ?
P2 C1 C2 C3 -49.9(3) . . . . ?
P1 C1 C2 C3 -28.63(19) . . . . ?
Si1 C1 C2 C3 -154.43(14) . . . . ?
Si2 C1 C2 C3 85.12(18) . . . . ?
C1 C2 C3 C4 51.2(2) . . . . ?
C2 C3 C4 P1 -46.57(19) . . . . ?
C2 C3 C4 Si3 -154.57(15) . . . . ?
C2 C3 C4 Si4 84.40(18) . . . . ?
C2 C3 C4 P2 -25.7(3) . . . . ?
C1 P1 C4 C3 25.40(15) . . . . ?
Cl1 P1 C4 C3 134.79(12) . . . . ?
C1 P1 C4 Si3 142.25(11) . . . . ?
Cl1 P1 C4 Si3 -108.36(9) . . . . ?
C1 P1 C4 Si4 -96.87(14) . . . . ?
Cl1 P1 C4 Si4 12.52(14) . . . . ?
C2 C1 P2 C4 28.7(3) . . . . ?
Si1 C1 P2 C4 143.4(2) . . . . ?
Si2 C1 P2 C4 -96.8(2) . . . . ?
C2 C1 P2 Cl2 136.03(19) . . . . ?
Si1 C1 P2 Cl2 -109.22(19) . . . . ?
Si2 C1 P2 Cl2 10.6(3) . . . . ?
C6 Si1 C7 C12 -53.4(2) . . . . ?
C5 Si1 C7 C12 -168.18(19) . . . . ?
C1 Si1 C7 C12 67.3(2) . . . . ?
C6 Si1 C7 C8 121.4(2) . . . . ?
C5 Si1 C7 C8 6.6(2) . . . . ?
C1 Si1 C7 C8 -118.00(19) . . . . ?
C12 C7 C8 C9 0.7(3) . . . . ?
Si1 C7 C8 C9 -174.21(18) . . . . ?
C7 C8 C9 C10 -1.1(4) . . . . ?
C8 C9 C10 C11 0.1(4) . . . . ?
C9 C10 C11 C12 1.2(4) . . . . ?
C10 C11 C12 C7 -1.6(4) . . . . ?
C8 C7 C12 C11 0.6(4) . . . . ?
Si1 C7 C12 C11 175.7(2) . . . . ?
C13 Si2 C15 C20 26.4(2) . . . . ?
C14 Si2 C15 C20 139.4(2) . . . . ?
C1 Si2 C15 C20 -98.5(2) . . . . ?
C13 Si2 C15 C16 -143.65(19) . . . . ?
C14 Si2 C15 C16 -30.7(2) . . . . ?
C1 Si2 C15 C16 91.4(2) . . . . ?
C20 C15 C16 C17 -0.6(4) . . . . ?
Si2 C15 C16 C17 169.76(19) . . . . ?
C15 C16 C17 C18 -0.6(4) . . . . ?
C16 C17 C18 C19 1.4(4) . . . . ?
C17 C18 C19 C20 -1.0(4) . . . . ?
C18 C19 C20 C15 -0.2(4) . . . . ?
C16 C15 C20 C19 1.0(4) . . . . ?
Si2 C15 C20 C19 -169.3(2) . . . . ?
C21 Si3 C23 C28 123.5(2) . . . . ?
C22 Si3 C23 C28 8.9(2) . . . . ?
C4 Si3 C23 C28 -114.7(2) . . . . ?
C21 Si3 C23 C24 -50.6(2) . . . . ?
C22 Si3 C23 C24 -165.2(2) . . . . ?
C4 Si3 C23 C24 71.2(2) . . . . ?
C28 C23 C24 C25 1.6(4) . . . . ?
Si3 C23 C24 C25 176.1(2) . . . . ?
C23 C24 C25 C26 -0.9(4) . . . . ?
C24 C25 C26 C27 -0.5(4) . . . . ?
C25 C26 C27 C28 0.9(4) . . . . ?
C26 C27 C28 C23 -0.1(4) . . . . ?
C24 C23 C28 C27 -1.1(4) . . . . ?
Si3 C23 C28 C27 -175.4(2) . . . . ?
C30 Si4 C31 C36 -144.25(19) . . . . ?
C29 Si4 C31 C36 -31.6(2) . . . . ?
C4 Si4 C31 C36 88.7(2) . . . . ?
C30 Si4 C31 C32 24.5(2) . . . . ?
C29 Si4 C31 C32 137.1(2) . . . . ?
C4 Si4 C31 C32 -102.56(19) . . . . ?
C36 C31 C32 C33 -1.2(3) . . . . ?
Si4 C31 C32 C33 -170.5(2) . . . . ?
C31 C32 C33 C34 0.1(4) . . . . ?
C32 C33 C34 C35 1.1(4) . . . . ?
C33 C34 C35 C36 -1.1(4) . . . . ?
C32 C31 C36 C35 1.1(3) . . . . ?
Si4 C31 C36 C35 170.33(19) . . . . ?
C34 C35 C36 C31 0.0(4) . . . . ?
