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#$Date: 2023-06-05 06:54:24 +0300 (Mon, 05 Jun 2023) $
#$Revision: 284209 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/87/1568717.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_1568717
loop_
_publ_author_name
'Hou, Fei'
'Liu, Minjie'
'Ru, Tong'
'Tan, Zequn'
'Ning, Yingtang'
'Chen, Fen-Er'
_publ_section_title
;
 Chiral spirosiladiphosphines: ligand development and applications in
 Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with
 enhanced reactivity.
;
_journal_issue                   17
_journal_name_full               'Chemical science'
_journal_page_first              4641
_journal_page_last               4646
_journal_paper_doi               10.1039/d2sc06349b
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C42 H38 Cl6 P2 Pd Si'
_chemical_formula_weight         951.85
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-11-17 deposited with the CCDC.	2023-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9943(14)
_cell_length_b                   20.420(3)
_cell_length_c                   20.447(3)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      58.12
_cell_measurement_theta_min      4.28
_cell_volume                     4172.9(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29824
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.489
_diffrn_reflns_theta_min         4.207
_exptl_absorpt_coefficient_mu    5.600
_exptl_absorpt_correction_T_max  0.805
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_description       block
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.546
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.052
_refine_ls_abs_structure_details
; 
 Flack x determined using 3570 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.092(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8649
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0238
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0097P)²+3.4954P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0522
_refine_ls_wR_factor_ref         0.0528
_reflns_Friedel_coverage         0.787
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                8380
_reflns_number_total             8649
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06349b2.cif
_cod_data_source_block           ga_221024d_a
_cod_depositor_comments
'Adding full bibliography for 1568716--1568717.cif.'
_cod_database_code               1568717
_shelx_shelxl_version_number     2014/7
_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   0.313
_shelx_estimated_absorpt_t_max   0.807
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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
Pd1 Pd 0.49821(2) 0.54788(2) 0.64902(2) 0.01897(6) Uani 1 1 d . . . . .
Cl1 Cl 0.38379(9) 0.64333(4) 0.61831(4) 0.03017(18) Uani 1 1 d . . . . .
Cl2 Cl 0.32239(8) 0.52577(4) 0.72172(4) 0.02895(18) Uani 1 1 d . . . . .
P1 P 0.58559(8) 0.44990(4) 0.67874(4) 0.01933(15) Uani 1 1 d . . . . .
P2 P 0.63714(8) 0.57591(4) 0.56373(4) 0.02037(16) Uani 1 1 d . . . . .
Si1 Si 0.70278(10) 0.40445(5) 0.51033(4) 0.0247(2) Uani 1 1 d . . . . .
C1 C 0.5465(3) 0.38554(16) 0.55792(16) 0.0244(7) Uani 1 1 d . . . . .
C2 C 0.5036(4) 0.39352(14) 0.62290(14) 0.0219(6) Uani 1 1 d . . . . .
C3 C 0.3795(3) 0.36859(16) 0.64269(18) 0.0267(7) Uani 1 1 d . . . . .
H3 H 0.3510 0.3740 0.6867 0.032 Uiso 1 1 calc R U . . .
C4 C 0.2978(4) 0.33608(18) 0.59838(19) 0.0325(8) Uani 1 1 d . . . . .
H4 H 0.2149 0.3182 0.6125 0.039 Uiso 1 1 calc R U . . .
C5 C 0.3367(4) 0.32968(18) 0.53380(19) 0.0321(8) Uani 1 1 d . . . . .
H5 H 0.2789 0.3090 0.5032 0.038 Uiso 1 1 calc R U . . .
C6 C 0.4605(3) 0.35343(17) 0.51346(17) 0.0281(8) Uani 1 1 d . . . . .
C7 C 0.5085(5) 0.34645(18) 0.44344(16) 0.0371(8) Uani 1 1 d . . . . .
H7A H 0.4323 0.3521 0.4130 0.044 Uiso 1 1 calc R U . . .
H7B H 0.5466 0.3022 0.4367 0.044 Uiso 1 1 calc R U . . .
C8 C 0.6161(4) 0.39899(19) 0.42959(17) 0.0341(8) Uani 1 1 d . . . . .
H8A H 0.5751 0.4413 0.4172 0.041 Uiso 1 1 calc R U . . .
H8B H 0.6782 0.3848 0.3946 0.041 Uiso 1 1 calc R U . . .
C9 C 0.8195(3) 0.47346(16) 0.53105(15) 0.0228(7) Uani 1 1 d . . . . .
C10 C 0.8039(3) 0.54021(16) 0.54890(14) 0.0222(6) Uani 1 1 d . . . . .
C11 C 0.9165(3) 0.57869(18) 0.55837(16) 0.0261(7) Uani 1 1 d . . . . .
H11 H 0.9056 0.6238 0.5684 0.031 Uiso 1 1 calc R U . . .
C12 C 1.0453(3) 0.5529(2) 0.55358(16) 0.0296(8) Uani 1 1 d . . . . .
H12 H 1.1210 0.5801 0.5608 0.035 Uiso 1 1 calc R U . . .
C13 C 1.0617(4) 0.48781(19) 0.53831(16) 0.0288(8) Uani 1 1 d . . . . .
H13 H 1.1491 0.4696 0.5360 0.035 Uiso 1 1 calc R U . . .
C14 C 0.9502(3) 0.44833(18) 0.52623(15) 0.0256(7) Uani 1 1 d . . . . .
C15 C 0.9674(4) 0.37725(18) 0.5063(2) 0.0349(9) Uani 1 1 d . . . . .
H15A H 1.0370 0.3566 0.5340 0.042 Uiso 1 1 calc R U . . .
H15B H 0.9976 0.3750 0.4603 0.042 Uiso 1 1 calc R U . . .
C16 C 0.8359(4) 0.33988(18) 0.51382(19) 0.0336(8) Uani 1 1 d . . . . .
H16A H 0.8331 0.3163 0.5561 0.040 Uiso 1 1 calc R U . . .
H16B H 0.8245 0.3078 0.4779 0.040 Uiso 1 1 calc R U . . .
C17 C 0.7654(3) 0.43787(16) 0.67879(15) 0.0223(7) Uani 1 1 d . . . . .
C18 C 0.8184(4) 0.37473(17) 0.67556(17) 0.0279(7) Uani 1 1 d . . . . .
H18 H 0.7616 0.3384 0.6673 0.033 Uiso 1 1 calc R U . . .
C19 C 0.9553(4) 0.3653(2) 0.68448(18) 0.0336(8) Uani 1 1 d . . . . .
H19 H 0.9924 0.3225 0.6822 0.040 Uiso 1 1 calc R U . . .
C20 C 1.0364(4) 0.4184(2) 0.69666(18) 0.0355(9) Uani 1 1 d . . . . .
H20 H 1.1299 0.4120 0.7018 0.043 Uiso 1 1 calc R U . . .
C21 C 0.9843(4) 0.48074(18) 0.70152(15) 0.0304(8) Uani 1 1 d . . . . .
H21 H 1.0412 0.5168 0.7107 0.037 Uiso 1 1 calc R U . . .
C22 C 0.8478(3) 0.49026(17) 0.69281(16) 0.0251(7) Uani 1 1 d . . . . .
H22 H 0.8111 0.5330 0.6965 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5520(3) 0.42039(17) 0.76159(15) 0.0235(7) Uani 1 1 d . . . . .
C24 C 0.5460(4) 0.35346(18) 0.77412(18) 0.0306(8) Uani 1 1 d . . . . .
H24 H 0.5490 0.3233 0.7388 0.037 Uiso 1 1 calc R U . . .
C25 C 0.5356(4) 0.3306(2) 0.83759(18) 0.0373(9) Uani 1 1 d . . . . .
H25 H 0.5319 0.2848 0.8459 0.045 Uiso 1 1 calc R U . . .
C26 C 0.5305(4) 0.3744(2) 0.88869(18) 0.0393(10) Uani 1 1 d . . . . .
H26 H 0.5210 0.3588 0.9322 0.047 Uiso 1 1 calc R U . . .
C27 C 0.5392(4) 0.4405(2) 0.87714(18) 0.0381(9) Uani 1 1 d . . . . .
H27 H 0.5374 0.4703 0.9128 0.046 Uiso 1 1 calc R U . . .
C28 C 0.5507(3) 0.46395(19) 0.81368(17) 0.0302(8) Uani 1 1 d . . . . .
H28 H 0.5576 0.5097 0.8059 0.036 Uiso 1 1 calc R U . . .
C29 C 0.5484(3) 0.56196(16) 0.48715(16) 0.0250(7) Uani 1 1 d . . . . .
C30 C 0.4171(4) 0.53945(18) 0.48693(17) 0.0281(7) Uani 1 1 d . . . . .
H30 H 0.3731 0.5307 0.5272 0.034 Uiso 1 1 calc R U . . .
C31 C 0.3501(4) 0.52966(19) 0.42847(18) 0.0343(9) Uani 1 1 d . . . . .
H31 H 0.2603 0.5145 0.4289 0.041 Uiso 1 1 calc R U . . .
C32 C 0.4133(4) 0.5419(2) 0.36924(17) 0.0345(8) Uani 1 1 d . . . . .
H32 H 0.3671 0.5352 0.3292 0.041 Uiso 1 1 calc R U . . .
C33 C 0.5448(4) 0.5640(2) 0.36906(17) 0.0354(9) Uani 1 1 d . . . . .
H33 H 0.5885 0.5730 0.3288 0.042 Uiso 1 1 calc R U . . .
C34 C 0.6121(4) 0.57276(18) 0.42752(17) 0.0305(8) Uani 1 1 d . . . . .
H34 H 0.7030 0.5864 0.4270 0.037 Uiso 1 1 calc R U . . .
C35 C 0.6784(4) 0.66235(16) 0.56958(18) 0.0280(7) Uani 1 1 d . . . . .
C36 C 0.7173(4) 0.68563(18) 0.6307(2) 0.0350(8) Uani 1 1 d . . . . .
H36 H 0.7078 0.6585 0.6681 0.042 Uiso 1 1 calc R U . . .
C37 C 0.7699(4) 0.7482(2) 0.6374(3) 0.0488(11) Uani 1 1 d . . . . .
H37 H 0.7977 0.7636 0.6791 0.059 Uiso 1 1 calc R U . . .
C38 C 0.7815(5) 0.7877(2) 0.5830(3) 0.0616(14) Uani 1 1 d . . . . .
H38 H 0.8183 0.8304 0.5872 0.074 Uiso 1 1 calc R U . . .
C39 C 0.7404(5) 0.7661(2) 0.5231(3) 0.0607(14) Uani 1 1 d . . . . .
H39 H 0.7481 0.7939 0.4861 0.073 Uiso 1 1 calc R U . . .
C40 C 0.6873(5) 0.70351(19) 0.5157(2) 0.0423(10) Uani 1 1 d . . . . .
H40 H 0.6574 0.6890 0.4741 0.051 Uiso 1 1 calc R U . . .
C41 C 0.4291(6) 0.6716(3) 0.7977(3) 0.0600(14) Uani 1 1 d . . . . .
H41A H 0.3884 0.6275 0.7953 0.072 Uiso 1 1 calc R U . . .
H41B H 0.4080 0.6950 0.7566 0.072 Uiso 1 1 calc R U . . .
Cl3 Cl 0.36016(16) 0.71467(7) 0.86425(6) 0.0693(4) Uani 1 1 d . . . . .
Cl4 Cl 0.60116(16) 0.66415(10) 0.80552(8) 0.0828(5) Uani 1 1 d . . . . .
C42 C 0.0827(5) 0.6729(2) 0.6967(2) 0.0480(11) Uani 1 1 d . . . . .
H42A H 0.0259 0.6625 0.6585 0.058 Uiso 1 1 calc R U . . .
H42B H 0.1609 0.6431 0.6959 0.058 Uiso 1 1 calc R U . . .
Cl5 Cl 0.13845(15) 0.75388(7) 0.69053(8) 0.0735(4) Uani 1 1 d . . . . .
Cl6 Cl -0.0086(2) 0.65932(8) 0.76839(6) 0.0817(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.0375 3.1039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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
P1 Pd1 P2 100.97(3) . . ?
P1 Pd1 Cl1 173.43(3) . . ?
P2 Pd1 Cl1 83.38(3) . . ?
P1 Pd1 Cl2 87.07(3) . . ?
P2 Pd1 Cl2 168.55(3) . . ?
Cl1 Pd1 Cl2 87.96(3) . . ?
C17 P1 C2 111.17(16) . . ?
C17 P1 C23 97.85(15) . . ?
C2 P1 C23 106.89(15) . . ?
C17 P1 Pd1 120.11(11) . . ?
C2 P1 Pd1 102.55(10) . . ?
C23 P1 Pd1 117.94(12) . . ?
C35 P2 C29 108.60(16) . . ?
C35 P2 C10 100.95(16) . . ?
C29 P2 C10 103.71(14) . . ?
C35 P2 Pd1 109.18(12) . . ?
C29 P2 Pd1 108.57(11) . . ?
C10 P2 Pd1 124.85(10) . . ?
C8 Si1 C16 108.72(18) . . ?
C8 Si1 C9 122.17(16) . . ?
C16 Si1 C9 94.49(16) . . ?
C8 Si1 C1 93.43(16) . . ?
C16 Si1 C1 115.18(16) . . ?
C9 Si1 C1 123.60(15) . . ?
C2 C1 C6 118.5(3) . . ?
C2 C1 Si1 136.0(3) . . ?
C6 C1 Si1 105.5(2) . . ?
C3 C2 C1 120.1(3) . . ?
C3 C2 P1 116.6(2) . . ?
C1 C2 P1 122.0(3) . . ?
C4 C3 C2 120.4(3) . . ?
C5 C4 C3 120.2(3) . . ?
C4 C5 C6 120.2(3) . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 C7 122.0(3) . . ?
C1 C6 C7 117.3(3) . . ?
C6 C7 C8 109.1(3) . . ?
C7 C8 Si1 101.7(2) . . ?
C14 C9 C10 118.1(3) . . ?
C14 C9 Si1 106.7(2) . . ?
C10 C9 Si1 135.2(3) . . ?
C11 C10 C9 119.4(3) . . ?
C11 C10 P2 119.1(3) . . ?
C9 C10 P2 121.4(2) . . ?
C10 C11 C12 121.7(3) . . ?
C13 C12 C11 119.4(3) . . ?
C12 C13 C14 120.2(3) . . ?
C13 C14 C9 121.2(3) . . ?
C13 C14 C15 120.6(3) . . ?
C9 C14 C15 118.2(3) . . ?
C14 C15 C16 110.7(3) . . ?
C15 C16 Si1 104.8(2) . . ?
C22 C17 C18 119.9(3) . . ?
C22 C17 P1 119.1(3) . . ?
C18 C17 P1 120.1(3) . . ?
C19 C18 C17 119.6(3) . . ?
C20 C19 C18 119.5(4) . . ?
C19 C20 C21 121.2(3) . . ?
C20 C21 C22 119.4(3) . . ?
C17 C22 C21 120.3(3) . . ?
C28 C23 C24 119.2(3) . . ?
C28 C23 P1 120.1(3) . . ?
C24 C23 P1 120.1(3) . . ?
C25 C24 C23 120.5(3) . . ?
C26 C25 C24 119.7(4) . . ?
C27 C26 C25 120.4(3) . . ?
C26 C27 C28 120.3(4) . . ?
C23 C28 C27 119.8(4) . . ?
C30 C29 C34 118.8(3) . . ?
C30 C29 P2 120.9(3) . . ?
C34 C29 P2 120.3(3) . . ?
C31 C30 C29 120.4(3) . . ?
C30 C31 C32 120.5(3) . . ?
C31 C32 C33 119.4(3) . . ?
C34 C33 C32 120.0(3) . . ?
C33 C34 C29 120.9(3) . . ?
C40 C35 C36 119.2(3) . . ?
C40 C35 P2 123.4(3) . . ?
C36 C35 P2 117.0(3) . . ?
C37 C36 C35 120.6(4) . . ?
C38 C37 C36 119.4(5) . . ?
C39 C38 C37 120.5(4) . . ?
C38 C39 C40 120.6(5) . . ?
C35 C40 C39 119.7(4) . . ?
Cl4 C41 Cl3 111.1(3) . . ?
Cl6 C42 Cl5 112.2(2) . . ?
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
Pd1 P1 2.2660(9) . ?
Pd1 P2 2.3015(8) . ?
Pd1 Cl1 2.3454(8) . ?
Pd1 Cl2 2.3455(8) . ?
P1 C17 1.814(3) . ?
P1 C2 1.817(3) . ?
P1 C23 1.829(3) . ?
P2 C35 1.817(3) . ?
P2 C29 1.822(3) . ?
P2 C10 1.844(3) . ?
Si1 C8 1.868(4) . ?
Si1 C16 1.874(4) . ?
Si1 C9 1.878(4) . ?
Si1 C1 1.880(4) . ?
C1 C2 1.406(4) . ?
C1 C6 1.413(5) . ?
C2 C3 1.401(5) . ?
C3 C4 1.389(5) . ?
C4 C5 1.383(5) . ?
C5 C6 1.393(5) . ?
C6 C7 1.516(5) . ?
C7 C8 1.545(6) . ?
C9 C14 1.407(5) . ?
C9 C10 1.420(5) . ?
C10 C11 1.386(5) . ?
C11 C12 1.395(5) . ?
C12 C13 1.375(5) . ?
C13 C14 1.397(5) . ?
C14 C15 1.517(5) . ?
C15 C16 1.528(5) . ?
C17 C22 1.381(5) . ?
C17 C18 1.396(5) . ?
C18 C19 1.393(5) . ?
C19 C20 1.376(6) . ?
C20 C21 1.379(6) . ?
C21 C22 1.389(5) . ?
C23 C28 1.388(5) . ?
C23 C24 1.392(5) . ?
C24 C25 1.383(5) . ?
C25 C26 1.376(6) . ?
C26 C27 1.374(6) . ?
C27 C28 1.388(5) . ?
C29 C30 1.390(5) . ?
C29 C34 1.393(5) . ?
C30 C31 1.385(5) . ?
C31 C32 1.388(5) . ?
C32 C33 1.389(6) . ?
C33 C34 1.383(5) . ?
C35 C40 1.388(5) . ?
C35 C36 1.393(5) . ?
C36 C37 1.388(6) . ?
C37 C38 1.380(7) . ?
C38 C39 1.366(8) . ?
C39 C40 1.391(6) . ?
C41 Cl4 1.734(6) . ?
C41 Cl3 1.761(5) . ?
C42 Cl6 1.748(5) . ?
C42 Cl5 1.749(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
C8 Si1 C1 C2 -161.5(4) . . . . ?
C16 Si1 C1 C2 86.0(4) . . . . ?
C9 Si1 C1 C2 -28.6(4) . . . . ?
C8 Si1 C1 C6 21.5(3) . . . . ?
C16 Si1 C1 C6 -91.1(3) . . . . ?
C9 Si1 C1 C6 154.4(2) . . . . ?
C6 C1 C2 C3 1.4(5) . . . . ?
Si1 C1 C2 C3 -175.3(3) . . . . ?
C6 C1 C2 P1 -165.1(3) . . . . ?
Si1 C1 C2 P1 18.1(5) . . . . ?
C17 P1 C2 C3 143.1(3) . . . . ?
C23 P1 C2 C3 37.4(3) . . . . ?
Pd1 P1 C2 C3 -87.3(2) . . . . ?
C17 P1 C2 C1 -50.0(3) . . . . ?
C23 P1 C2 C1 -155.7(3) . . . . ?
Pd1 P1 C2 C1 79.6(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
P1 C2 C3 C4 167.0(3) . . . . ?
C2 C3 C4 C5 -1.8(5) . . . . ?
C3 C4 C5 C6 2.6(6) . . . . ?
C4 C5 C6 C1 -1.4(5) . . . . ?
C4 C5 C6 C7 178.9(4) . . . . ?
C2 C1 C6 C5 -0.6(5) . . . . ?
Si1 C1 C6 C5 177.0(3) . . . . ?
C2 C1 C6 C7 179.1(3) . . . . ?
Si1 C1 C6 C7 -3.3(4) . . . . ?
C5 C6 C7 C8 157.7(4) . . . . ?
C1 C6 C7 C8 -22.0(5) . . . . ?
C6 C7 C8 Si1 34.8(4) . . . . ?
C16 Si1 C8 C7 85.9(3) . . . . ?
C9 Si1 C8 C7 -166.0(2) . . . . ?
C1 Si1 C8 C7 -32.1(3) . . . . ?
C8 Si1 C9 C14 -103.8(3) . . . . ?
C16 Si1 C9 C14 11.6(2) . . . . ?
C1 Si1 C9 C14 136.0(2) . . . . ?
C8 Si1 C9 C10 76.0(4) . . . . ?
C16 Si1 C9 C10 -168.6(3) . . . . ?
C1 Si1 C9 C10 -44.2(4) . . . . ?
C14 C9 C10 C11 2.5(4) . . . . ?
Si1 C9 C10 C11 -177.3(3) . . . . ?
C14 C9 C10 P2 -174.5(2) . . . . ?
Si1 C9 C10 P2 5.7(4) . . . . ?
C35 P2 C10 C11 12.7(3) . . . . ?
C29 P2 C10 C11 125.2(3) . . . . ?
Pd1 P2 C10 C11 -110.1(2) . . . . ?
C35 P2 C10 C9 -170.3(3) . . . . ?
C29 P2 C10 C9 -57.9(3) . . . . ?
Pd1 P2 C10 C9 66.8(3) . . . . ?
C9 C10 C11 C12 -2.8(5) . . . . ?
P2 C10 C11 C12 174.2(3) . . . . ?
C10 C11 C12 C13 0.8(5) . . . . ?
C11 C12 C13 C14 1.5(5) . . . . ?
C12 C13 C14 C9 -1.7(5) . . . . ?
C12 C13 C14 C15 177.2(3) . . . . ?
C10 C9 C14 C13 -0.3(5) . . . . ?
Si1 C9 C14 C13 179.5(3) . . . . ?
C10 C9 C14 C15 -179.2(3) . . . . ?
Si1 C9 C14 C15 0.6(4) . . . . ?
C13 C14 C15 C16 164.7(3) . . . . ?
C9 C14 C15 C16 -16.3(5) . . . . ?
C14 C15 C16 Si1 22.8(4) . . . . ?
C8 Si1 C16 C15 106.4(3) . . . . ?
C9 Si1 C16 C15 -19.8(3) . . . . ?
C1 Si1 C16 C15 -150.4(2) . . . . ?
C2 P1 C17 C22 151.4(2) . . . . ?
C23 P1 C17 C22 -97.0(3) . . . . ?
Pd1 P1 C17 C22 31.8(3) . . . . ?
C2 P1 C17 C18 -39.2(3) . . . . ?
C23 P1 C17 C18 72.4(3) . . . . ?
Pd1 P1 C17 C18 -158.8(2) . . . . ?
C22 C17 C18 C19 -2.0(5) . . . . ?
P1 C17 C18 C19 -171.4(3) . . . . ?
C17 C18 C19 C20 0.3(5) . . . . ?
C18 C19 C20 C21 1.3(5) . . . . ?
C19 C20 C21 C22 -1.2(5) . . . . ?
C18 C17 C22 C21 2.2(5) . . . . ?
P1 C17 C22 C21 171.7(3) . . . . ?
C20 C21 C22 C17 -0.6(5) . . . . ?
C17 P1 C23 C28 91.8(3) . . . . ?
C2 P1 C23 C28 -153.2(3) . . . . ?
Pd1 P1 C23 C28 -38.4(3) . . . . ?
C17 P1 C23 C24 -79.3(3) . . . . ?
C2 P1 C23 C24 35.7(3) . . . . ?
Pd1 P1 C23 C24 150.4(2) . . . . ?
C28 C23 C24 C25 1.5(5) . . . . ?
P1 C23 C24 C25 172.8(3) . . . . ?
C23 C24 C25 C26 0.3(6) . . . . ?
C24 C25 C26 C27 -1.7(6) . . . . ?
C25 C26 C27 C28 1.2(6) . . . . ?
C24 C23 C28 C27 -2.0(5) . . . . ?
P1 C23 C28 C27 -173.2(3) . . . . ?
C26 C27 C28 C23 0.6(5) . . . . ?
C35 P2 C29 C30 -117.2(3) . . . . ?
C10 P2 C29 C30 136.0(3) . . . . ?
Pd1 P2 C29 C30 1.4(3) . . . . ?
C35 P2 C29 C34 63.8(3) . . . . ?
C10 P2 C29 C34 -42.9(3) . . . . ?
Pd1 P2 C29 C34 -177.6(3) . . . . ?
C34 C29 C30 C31 -1.7(5) . . . . ?
P2 C29 C30 C31 179.3(3) . . . . ?
C29 C30 C31 C32 0.3(6) . . . . ?
C30 C31 C32 C33 0.1(6) . . . . ?
C31 C32 C33 C34 0.8(6) . . . . ?
C32 C33 C34 C29 -2.3(6) . . . . ?
C30 C29 C34 C33 2.7(5) . . . . ?
P2 C29 C34 C33 -178.3(3) . . . . ?
C29 P2 C35 C40 -22.4(4) . . . . ?
C10 P2 C35 C40 86.2(4) . . . . ?
Pd1 P2 C35 C40 -140.6(3) . . . . ?
C29 P2 C35 C36 165.1(3) . . . . ?
C10 P2 C35 C36 -86.3(3) . . . . ?
Pd1 P2 C35 C36 46.8(3) . . . . ?
C40 C35 C36 C37 -2.8(6) . . . . ?
P2 C35 C36 C37 170.1(3) . . . . ?
C35 C36 C37 C38 1.0(6) . . . . ?
C36 C37 C38 C39 0.7(7) . . . . ?
C37 C38 C39 C40 -0.6(8) . . . . ?
C36 C35 C40 C39 2.8(6) . . . . ?
P2 C35 C40 C39 -169.5(4) . . . . ?
C38 C39 C40 C35 -1.2(7) . . . . ?
