#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:17:33 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263678 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/01/1560112.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_1560112
loop_
_publ_author_name
'Brand, Alexander'
'Schulz, Stephen'
'Hepp, Alexander'
'Weigand, Jan J.'
'Uhl, Werner'
_publ_section_title
;
 Sterically constrained tricyclic phosphine: redox behaviour, reductive
 and oxidative cleavage of P--C bonds, generation of a dilithium
 phosphaindole as a promising synthon in phosphine chemistry
;
_journal_issue                   10
_journal_name_full               'Chemical Science'
_journal_page_first              3460
_journal_page_last               3474
_journal_paper_doi               10.1039/D0SC06155G
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C37 H32 O5 P2 Si2 W'
_chemical_formula_weight         858.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-06 deposited with the CCDC.	2021-01-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.664(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6448(13)
_cell_length_b                   12.9069(16)
_cell_length_c                   26.220(3)
_cell_measurement_reflns_used    9373
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.22
_cell_volume                     3598.5(7)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            46224
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.927
_diffrn_reflns_theta_min         2.215
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    3.407
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4328
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_description       block
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.260
_refine_diff_density_max         0.964
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         8567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0186P)²+3.0197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0575
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7625
_reflns_number_total             8567
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc06155g2.cif
_cod_data_source_block           sad_a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 1560111--1560114.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1560112
_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   0.358
_shelx_estimated_absorpt_t_max   0.471
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.22457(2) 0.81954(2) 0.49750(2) 0.01879(4) Uani 1 1 d . . . . .
C41 C 0.0600(2) 0.7622(2) 0.52294(10) 0.0232(6) Uani 1 1 d . . . . .
O1 O -0.02952(18) 0.72706(17) 0.53692(8) 0.0335(5) Uani 1 1 d . . . . .
C42 C 0.2727(2) 0.6725(2) 0.47835(10) 0.0218(5) Uani 1 1 d . . . . .
O2 O 0.29395(18) 0.59228(15) 0.46273(7) 0.0293(4) Uani 1 1 d . . . . .
C43 C 0.1506(3) 0.8273(3) 0.42685(11) 0.0352(8) Uani 1 1 d . . . . .
O3 O 0.1053(2) 0.8290(2) 0.38596(8) 0.0540(7) Uani 1 1 d . . . . .
C44 C 0.3977(3) 0.8707(2) 0.47647(10) 0.0255(6) Uani 1 1 d . . . . .
O4 O 0.4933(2) 0.89814(16) 0.46500(8) 0.0376(5) Uani 1 1 d . . . . .
C45 C 0.1700(3) 0.9707(2) 0.50538(10) 0.0268(6) Uani 1 1 d . . . . .
O5 O 0.1382(2) 1.05474(17) 0.50576(8) 0.0388(5) Uani 1 1 d . . . . .
P1 P 0.31277(6) 0.80853(5) 0.58860(2) 0.01440(12) Uani 1 1 d . . . . .
C1 C 0.4786(2) 0.79029(19) 0.59259(9) 0.0149(5) Uani 1 1 d . . . . .
C2 C 0.5379(2) 0.87853(19) 0.61256(9) 0.0173(5) Uani 1 1 d . . . . .
C3 C 0.6687(2) 0.8836(2) 0.61393(10) 0.0225(5) Uani 1 1 d . . . . .
H3 H 0.711823 0.943400 0.626609 0.027 Uiso 1 1 calc R U . . .
C4 C 0.7345(2) 0.7990(2) 0.59628(10) 0.0230(6) Uani 1 1 d . . . . .
H4 H 0.823407 0.803183 0.594857 0.028 Uiso 1 1 calc R U . . .
C5 C 0.6738(2) 0.7083(2) 0.58064(9) 0.0191(5) Uani 1 1 d . . . . .
H5 H 0.721806 0.650794 0.570083 0.023 Uiso 1 1 calc R U . . .
C6 C 0.5427(2) 0.70091(18) 0.58028(9) 0.0156(5) Uani 1 1 d . . . . .
C7 C 0.4743(2) 0.60213(19) 0.57487(9) 0.0168(5) Uani 1 1 d . . . . .
H7 H 0.514415 0.548823 0.556665 0.020 Uiso 1 1 calc R U . . .
C8 C 0.3611(2) 0.57881(18) 0.59287(9) 0.0163(5) Uani 1 1 d . . . . .
C9 C 0.4469(2) 0.95147(19) 0.63256(9) 0.0191(5) Uani 1 1 d . . . . .
H9 H 0.473109 1.014773 0.648169 0.023 Uiso 1 1 calc R U . . .
C10 C 0.3242(2) 0.92502(18) 0.62789(9) 0.0167(5) Uani 1 1 d . . . . .
Si1 Si 0.29052(7) 0.44480(5) 0.59009(3) 0.02030(15) Uani 1 1 d . . . . .
C11 C 0.4089(3) 0.3499(2) 0.56848(12) 0.0324(7) Uani 1 1 d . . . . .
H11A H 0.371131 0.280634 0.566567 0.039 Uiso 1 1 calc R U . . .
H11B H 0.481597 0.349064 0.592812 0.039 Uiso 1 1 calc R U . . .
H11C H 0.436144 0.369973 0.534686 0.039 Uiso 1 1 calc R U . . .
C12 C 0.1468(3) 0.4430(2) 0.54713(11) 0.0344(7) Uani 1 1 d . . . . .
H12A H 0.170692 0.448904 0.511590 0.041 Uiso 1 1 calc R U . . .
H12B H 0.092516 0.501333 0.555437 0.041 Uiso 1 1 calc R U . . .
H12C H 0.101487 0.377820 0.551675 0.041 Uiso 1 1 calc R U . . .
C13 C 0.2447(2) 0.41504(18) 0.65671(10) 0.0190(5) Uani 1 1 d . . . . .
C14 C 0.3366(2) 0.4009(2) 0.69580(10) 0.0238(6) Uani 1 1 d . . . . .
H14 H 0.422708 0.407297 0.688306 0.029 Uiso 1 1 calc R U . . .
C15 C 0.3054(3) 0.3778(2) 0.74529(11) 0.0311(6) Uani 1 1 d . . . . .
H15 H 0.369696 0.368060 0.771213 0.037 Uiso 1 1 calc R U . . .
C16 C 0.1804(3) 0.3691(2) 0.75672(11) 0.0311(7) Uani 1 1 d . . . . .
H16 H 0.158662 0.352954 0.790539 0.037 Uiso 1 1 calc R U . . .
C17 C 0.0874(3) 0.3839(2) 0.71921(11) 0.0290(6) Uani 1 1 d . . . . .
H17 H 0.001466 0.378477 0.727180 0.035 Uiso 1 1 calc R U . . .
C18 C 0.1194(2) 0.4067(2) 0.66950(10) 0.0231(5) Uani 1 1 d . . . . .
H18 H 0.054590 0.416754 0.643836 0.028 Uiso 1 1 calc R U . . .
Si2 Si 0.19396(6) 1.00447(5) 0.65333(3) 0.01728(14) Uani 1 1 d . . . . .
C21 C 0.2065(3) 1.1390(2) 0.62928(11) 0.0278(6) Uani 1 1 d . . . . .
H21A H 0.195461 1.139067 0.591965 0.033 Uiso 1 1 calc R U . . .
H21B H 0.289435 1.167131 0.639367 0.033 Uiso 1 1 calc R U . . .
H21C H 0.141069 1.181871 0.643804 0.033 Uiso 1 1 calc R U . . .
C22 C 0.0415(2) 0.9413(2) 0.63450(10) 0.0234(6) Uani 1 1 d . . . . .
H22A H -0.026939 0.976994 0.651006 0.028 Uiso 1 1 calc R U . . .
H22B H 0.043844 0.868527 0.645243 0.028 Uiso 1 1 calc R U . . .
H22C H 0.027415 0.944971 0.597342 0.028 Uiso 1 1 calc R U . . .
C23 C 0.2129(2) 1.00795(19) 0.72471(10) 0.0193(5) Uani 1 1 d . . . . .
C24 C 0.1506(3) 1.0843(2) 0.75175(11) 0.0290(6) Uani 1 1 d . . . . .
H24 H 0.103575 1.135873 0.733373 0.035 Uiso 1 1 calc R U . . .
C25 C 0.1556(3) 1.0867(2) 0.80433(12) 0.0375(7) Uani 1 1 d . . . . .
H25 H 0.113184 1.139981 0.821687 0.045 Uiso 1 1 calc R U . . .
C26 C 0.2224(3) 1.0116(2) 0.83202(11) 0.0337(7) Uani 1 1 d . . . . .
H26 H 0.224113 1.012103 0.868279 0.040 Uiso 1 1 calc R U . . .
C27 C 0.2862(3) 0.9361(2) 0.80652(11) 0.0300(6) Uani 1 1 d . . . . .
H27 H 0.333342 0.885231 0.825269 0.036 Uiso 1 1 calc R U . . .
C28 C 0.2818(2) 0.9343(2) 0.75353(10) 0.0247(6) Uani 1 1 d . . . . .
H28 H 0.326540 0.881927 0.736465 0.030 Uiso 1 1 calc R U . . .
P2 P 0.24979(6) 0.66499(5) 0.62470(2) 0.01568(13) Uani 1 1 d . . . . .
C31 C 0.3113(3) 0.66748(18) 0.69084(9) 0.0188(5) Uani 1 1 d . . . . .
C32 C 0.4377(3) 0.66659(19) 0.70681(10) 0.0228(6) Uani 1 1 d . . . . .
H32 H 0.500793 0.665509 0.682345 0.027 Uiso 1 1 calc R U . . .
C33 C 0.4717(3) 0.6673(2) 0.75871(11) 0.0303(6) Uani 1 1 d . . . . .
H33 H 0.558018 0.666945 0.769654 0.036 Uiso 1 1 calc R U . . .
C34 C 0.3801(4) 0.6684(2) 0.79433(11) 0.0363(8) Uani 1 1 d . . . . .
H34 H 0.403837 0.669711 0.829702 0.044 Uiso 1 1 calc R U . . .
C35 C 0.2549(4) 0.6677(2) 0.77898(11) 0.0389(8) Uani 1 1 d . . . . .
H35 H 0.192448 0.667588 0.803707 0.047 Uiso 1 1 calc R U . . .
C36 C 0.2198(3) 0.6673(2) 0.72732(11) 0.0287(6) Uani 1 1 d . . . . .
H36 H 0.133194 0.666805 0.716753 0.034 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C43 W1 C42 84.82(12) . . ?
C43 W1 C41 90.79(12) . . ?
C42 W1 C41 88.43(10) . . ?
C43 W1 C45 86.80(12) . . ?
C42 W1 C45 171.44(10) . . ?
C41 W1 C45 93.46(11) . . ?
C43 W1 C44 93.16(12) . . ?
C42 W1 C44 89.68(10) . . ?
C41 W1 C44 175.45(10) . . ?
C45 W1 C44 89.02(11) . . ?
C43 W1 P1 178.34(10) . . ?
C42 W1 P1 95.40(8) . . ?
C41 W1 P1 87.58(7) . . ?
C45 W1 P1 93.03(8) . . ?
C44 W1 P1 88.48(8) . . ?
O1 C41 W1 177.6(2) . . ?
O2 C42 W1 172.9(2) . . ?
O3 C43 W1 177.9(3) . . ?
O4 C44 W1 179.4(3) . . ?
O5 C45 W1 174.7(2) . . ?
C1 P1 C10 92.07(11) . . ?
C1 P1 P2 100.64(8) . . ?
C10 P1 P2 117.71(8) . . ?
C1 P1 W1 112.75(8) . . ?
C10 P1 W1 119.95(8) . . ?
P2 P1 W1 110.28(3) . . ?
C6 C1 C2 123.3(2) . . ?
C6 C1 P1 126.44(19) . . ?
C2 C1 P1 110.20(18) . . ?
C1 C2 C3 118.9(2) . . ?
C1 C2 C9 111.3(2) . . ?
C3 C2 C9 129.6(2) . . ?
C4 C3 C2 118.3(2) . . ?
C4 C3 H3 120.9 . . ?
C2 C3 H3 120.9 . . ?
C3 C4 C5 121.7(2) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 116.3(2) . . ?
C1 C6 C7 119.8(2) . . ?
C5 C6 C7 123.3(2) . . ?
C8 C7 C6 127.3(2) . . ?
C8 C7 H7 116.4 . . ?
C6 C7 H7 116.4 . . ?
C7 C8 P2 128.65(19) . . ?
C7 C8 Si1 123.51(18) . . ?
P2 C8 Si1 107.83(12) . . ?
C10 C9 C2 117.3(2) . . ?
C10 C9 H9 121.4 . . ?
C2 C9 H9 121.4 . . ?
C9 C10 P1 107.36(18) . . ?
C9 C10 Si2 123.95(19) . . ?
P1 C10 Si2 128.48(14) . . ?
C12 Si1 C11 110.88(15) . . ?
C12 Si1 C13 108.66(13) . . ?
C11 Si1 C13 110.94(12) . . ?
C12 Si1 C8 110.50(12) . . ?
C11 Si1 C8 109.93(12) . . ?
C13 Si1 C8 105.80(11) . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 117.3(2) . . ?
C18 C13 Si1 122.2(2) . . ?
C14 C13 Si1 120.46(19) . . ?
C15 C14 C13 121.7(3) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 121.3(3) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C21 Si2 C22 113.30(13) . . ?
C21 Si2 C10 109.02(12) . . ?
C22 Si2 C10 108.42(12) . . ?
C21 Si2 C23 108.13(12) . . ?
C22 Si2 C23 109.10(12) . . ?
C10 Si2 C23 108.79(11) . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 117.0(2) . . ?
C24 C23 Si2 119.4(2) . . ?
C28 C23 Si2 123.49(19) . . ?
C25 C24 C23 121.7(3) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C25 119.5(3) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C28 120.3(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 121.3(2) . . ?
C27 C28 H28 119.3 . . ?
C23 C28 H28 119.3 . . ?
C31 P2 C8 103.29(11) . . ?
C31 P2 P1 106.92(8) . . ?
C8 P2 P1 95.61(8) . . ?
C32 C31 C36 119.3(3) . . ?
C32 C31 P2 125.8(2) . . ?
C36 C31 P2 114.8(2) . . ?
C31 C32 C33 119.9(3) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 120.5(3) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.2(3) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?
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 C43 1.981(3) . ?
W1 C42 2.034(3) . ?
W1 C41 2.042(3) . ?
W1 C45 2.049(3) . ?
W1 C44 2.057(3) . ?
W1 P1 2.5294(7) . ?
C41 O1 1.131(3) . ?
C42 O2 1.140(3) . ?
C43 O3 1.155(4) . ?
C44 O4 1.132(3) . ?
C45 O5 1.137(3) . ?
P1 C1 1.779(2) . ?
P1 C10 1.823(2) . ?
P1 P2 2.1993(9) . ?
C1 C6 1.386(3) . ?
C1 C2 1.393(3) . ?
C2 C3 1.393(3) . ?
C2 C9 1.466(3) . ?
C3 C4 1.388(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.472(3) . ?
C7 C8 1.348(3) . ?
C7 H7 0.9500 . ?
C8 P2 1.852(2) . ?
C8 Si1 1.886(2) . ?
C9 C10 1.350(3) . ?
C9 H9 0.9500 . ?
C10 Si2 1.872(2) . ?
Si1 C12 1.857(3) . ?
Si1 C11 1.865(3) . ?
Si1 C13 1.875(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.394(3) . ?
C13 C14 1.395(4) . ?
C14 C15 1.387(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.376(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
Si2 C21 1.854(3) . ?
Si2 C22 1.862(3) . ?
Si2 C23 1.874(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.400(4) . ?
C23 C28 1.401(4) . ?
C24 C25 1.377(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.378(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(4) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
P2 C31 1.825(3) . ?
C31 C32 1.391(4) . ?
C31 C36 1.397(4) . ?
C32 C33 1.391(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.374(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
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
C10 P1 C1 C6 164.9(2) . . . . ?
P2 P1 C1 C6 46.2(2) . . . . ?
W1 P1 C1 C6 -71.3(2) . . . . ?
C10 P1 C1 C2 -12.31(18) . . . . ?
P2 P1 C1 C2 -131.01(16) . . . . ?
W1 P1 C1 C2 111.53(16) . . . . ?
C6 C1 C2 C3 9.1(4) . . . . ?
P1 C1 C2 C3 -173.60(19) . . . . ?
C6 C1 C2 C9 -167.1(2) . . . . ?
P1 C1 C2 C9 10.1(3) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C9 C2 C3 C4 174.0(3) . . . . ?
C2 C3 C4 C5 -4.2(4) . . . . ?
C3 C4 C5 C6 2.6(4) . . . . ?
C2 C1 C6 C5 -10.5(4) . . . . ?
P1 C1 C6 C5 172.66(18) . . . . ?
C2 C1 C6 C7 160.9(2) . . . . ?
P1 C1 C6 C7 -15.9(3) . . . . ?
C4 C5 C6 C1 4.6(4) . . . . ?
C4 C5 C6 C7 -166.6(2) . . . . ?
C1 C6 C7 C8 -18.6(4) . . . . ?
C5 C6 C7 C8 152.2(3) . . . . ?
C6 C7 C8 P2 5.9(4) . . . . ?
C6 C7 C8 Si1 -172.85(19) . . . . ?
C1 C2 C9 C10 -1.4(3) . . . . ?
C3 C2 C9 C10 -177.2(3) . . . . ?
C2 C9 C10 P1 -7.6(3) . . . . ?
C2 C9 C10 Si2 177.30(18) . . . . ?
C1 P1 C10 C9 11.17(19) . . . . ?
P2 P1 C10 C9 114.34(17) . . . . ?
W1 P1 C10 C9 -106.69(17) . . . . ?
C1 P1 C10 Si2 -174.07(17) . . . . ?
P2 P1 C10 Si2 -70.90(18) . . . . ?
W1 P1 C10 Si2 68.07(18) . . . . ?
C7 C8 Si1 C12 -114.3(2) . . . . ?
P2 C8 Si1 C12 66.72(16) . . . . ?
C7 C8 Si1 C11 8.4(3) . . . . ?
P2 C8 Si1 C11 -170.57(14) . . . . ?
C7 C8 Si1 C13 128.3(2) . . . . ?
P2 C8 Si1 C13 -50.73(15) . . . . ?
C12 Si1 C13 C18 -7.0(2) . . . . ?
C11 Si1 C13 C18 -129.2(2) . . . . ?
C8 Si1 C13 C18 111.6(2) . . . . ?
C12 Si1 C13 C14 173.4(2) . . . . ?
C11 Si1 C13 C14 51.2(2) . . . . ?
C8 Si1 C13 C14 -68.0(2) . . . . ?
C18 C13 C14 C15 1.0(4) . . . . ?
Si1 C13 C14 C15 -179.3(2) . . . . ?
C13 C14 C15 C16 -0.5(4) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C15 C16 C17 C18 0.6(4) . . . . ?
C16 C17 C18 C13 0.0(4) . . . . ?
C14 C13 C18 C17 -0.8(4) . . . . ?
Si1 C13 C18 C17 179.6(2) . . . . ?
C9 C10 Si2 C21 53.0(3) . . . . ?
P1 C10 Si2 C21 -121.00(18) . . . . ?
C9 C10 Si2 C22 176.7(2) . . . . ?
P1 C10 Si2 C22 2.8(2) . . . . ?
C9 C10 Si2 C23 -64.7(2) . . . . ?
P1 C10 Si2 C23 121.30(17) . . . . ?
C21 Si2 C23 C24 43.8(2) . . . . ?
C22 Si2 C23 C24 -79.8(2) . . . . ?
C10 Si2 C23 C24 162.1(2) . . . . ?
C21 Si2 C23 C28 -139.6(2) . . . . ?
C22 Si2 C23 C28 96.8(2) . . . . ?
C10 Si2 C23 C28 -21.3(2) . . . . ?
C28 C23 C24 C25 -0.6(4) . . . . ?
Si2 C23 C24 C25 176.2(2) . . . . ?
C23 C24 C25 C26 -0.8(5) . . . . ?
C24 C25 C26 C27 1.6(5) . . . . ?
C25 C26 C27 C28 -1.1(5) . . . . ?
C26 C27 C28 C23 -0.2(4) . . . . ?
C24 C23 C28 C27 1.1(4) . . . . ?
Si2 C23 C28 C27 -175.6(2) . . . . ?
C7 C8 P2 C31 -82.3(2) . . . . ?
Si1 C8 P2 C31 96.64(13) . . . . ?
C7 C8 P2 P1 26.6(2) . . . . ?
Si1 C8 P2 P1 -154.47(10) . . . . ?
C8 P2 C31 C32 36.5(2) . . . . ?
P1 P2 C31 C32 -63.7(2) . . . . ?
C8 P2 C31 C36 -141.60(19) . . . . ?
P1 P2 C31 C36 118.22(18) . . . . ?
C36 C31 C32 C33 -1.1(4) . . . . ?
P2 C31 C32 C33 -179.1(2) . . . . ?
C31 C32 C33 C34 0.3(4) . . . . ?
C32 C33 C34 C35 0.7(4) . . . . ?
C33 C34 C35 C36 -0.9(5) . . . . ?
C34 C35 C36 C31 0.0(4) . . . . ?
C32 C31 C36 C35 1.0(4) . . . . ?
P2 C31 C36 C35 179.2(2) . . . . ?
