# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

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

data_ga_221012a_a
_database_code_depnum_ccdc_archive 'CCDC 2213409'
loop_
_audit_author_name
_audit_author_address
'Yuanhang Ren'
;Fudan University
China
;
_audit_update_record             
;
2022-10-17 deposited with the CCDC.	2023-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H34 P2 Si'
_chemical_formula_weight         604.70

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'
P P 0.2543 0.3332 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   11.6462(5)
_cell_length_b                   8.7260(4)
_cell_length_c                   16.7421(8)
_cell_angle_alpha                90
_cell_angle_beta                 108.620(2)
_cell_angle_gamma                90
_cell_volume                     1612.35(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    1803
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      52.44

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_F_000             636
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    1.163
_shelx_estimated_absorpt_T_min   0.893
_shelx_estimated_absorpt_T_max   0.944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.527
_exptl_absorpt_correction_T_max  0.752
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17268
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         4.841
_diffrn_reflns_theta_max         53.898
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             5819
_reflns_number_gt                5435
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.846
_reflns_Friedel_fraction_max     0.972
_reflns_Friedel_fraction_full    0.974

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+0.2717P] 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 
; 
 Flack x determined using 2308 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.071(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5819
_refine_ls_number_parameters     388
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0778
_refine_ls_wR_factor_gt          0.0751
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.000
_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
P1 P 0.70793(6) 0.66791(8) 0.21730(4) 0.03080(18) Uani 1 1 d . . . . .
P2 P 0.38660(6) 0.51852(9) 0.30547(4) 0.03219(18) Uani 1 1 d . . . . .
Si1 Si 0.45526(7) 0.43549(9) 0.12245(4) 0.02858(18) Uani 1 1 d . . . . .
C1 C 0.6045(2) 0.3765(3) 0.19947(16) 0.0278(6) Uani 1 1 d . . . . .
C2 C 0.7123(2) 0.4594(3) 0.23463(17) 0.0299(6) Uani 1 1 d . . . . .
C3 C 0.8149(3) 0.3837(4) 0.28557(19) 0.0374(7) Uani 1 1 d . . . . .
H3 H 0.888159 0.439030 0.309318 0.045 Uiso 1 1 calc R U . . .
C4 C 0.8109(3) 0.2276(4) 0.30199(19) 0.0401(7) Uani 1 1 d . . . . .
H4 H 0.881693 0.176570 0.335999 0.048 Uiso 1 1 calc R U . . .
C5 C 0.7043(3) 0.1471(3) 0.26894(17) 0.0372(7) Uani 1 1 d . . . . .
H5 H 0.701781 0.041191 0.281385 0.045 Uiso 1 1 calc R U . . .
C6 C 0.6006(3) 0.2194(3) 0.21755(17) 0.0313(6) Uani 1 1 d . . . . .
C7 C 0.4806(3) 0.1376(3) 0.18197(19) 0.0408(7) Uani 1 1 d . . . . .
H7A H 0.449991 0.108465 0.228652 0.049 Uiso 1 1 calc R U . . .
H7B H 0.492631 0.042470 0.153414 0.049 Uiso 1 1 calc R U . . .
C8 C 0.3862(3) 0.2386(3) 0.11898(19) 0.0360(7) Uani 1 1 d . . . . .
H8A H 0.311255 0.244579 0.134698 0.043 Uiso 1 1 calc R U . . .
H8B H 0.365565 0.195171 0.061490 0.043 Uiso 1 1 calc R U . . .
C9 C 0.4627(3) 0.5170(4) 0.01993(17) 0.0402(7) Uani 1 1 d . . . . .
H9A H 0.546416 0.549649 0.025920 0.048 Uiso 1 1 calc R U . . .
H9B H 0.437481 0.438853 -0.025191 0.048 Uiso 1 1 calc R U . . .
C10 C 0.3770(3) 0.6542(4) -0.00178(17) 0.0414(7) Uani 1 1 d . . . . .
H10A H 0.418582 0.741776 -0.018217 0.050 Uiso 1 1 calc R U . . .
H10B H 0.305224 0.627988 -0.050476 0.050 Uiso 1 1 calc R U . . .
C11 C 0.3361(2) 0.7003(3) 0.07208(16) 0.0313(6) Uani 1 1 d . . . . .
C12 C 0.2720(3) 0.8336(3) 0.07227(18) 0.0352(7) Uani 1 1 d . . . . .
H12 H 0.253262 0.900385 0.025028 0.042 Uiso 1 1 calc R U . . .
C13 C 0.2350(3) 0.8706(4) 0.14017(19) 0.0397(7) Uani 1 1 d . . . . .
H13 H 0.189150 0.961086 0.139073 0.048 Uiso 1 1 calc R U . . .
C14 C 0.2650(3) 0.7752(3) 0.21043(19) 0.0358(7) Uani 1 1 d . . . . .
H14 H 0.239566 0.801074 0.257290 0.043 Uiso 1 1 calc R U . . .
C15 C 0.3318(2) 0.6423(3) 0.21267(16) 0.0289(6) Uani 1 1 d . . . . .
C16 C 0.3682(2) 0.6034(3) 0.14313(16) 0.0271(6) Uani 1 1 d . . . . .
C17 C 0.8042(2) 0.6980(3) 0.15074(16) 0.0298(6) Uani 1 1 d . . . . .
C18 C 0.8581(3) 0.5828(4) 0.11881(18) 0.0368(7) Uani 1 1 d . . . . .
H18 H 0.850411 0.479565 0.134412 0.044 Uiso 1 1 calc R U . . .
C19 C 0.9228(3) 0.6147(4) 0.06462(19) 0.0418(7) Uani 1 1 d . . . . .
H19 H 0.959457 0.533538 0.043647 0.050 Uiso 1 1 calc R U . . .
C20 C 0.9346(3) 0.7638(4) 0.0407(2) 0.0470(8) Uani 1 1 d . . . . .
H20 H 0.979071 0.785566 0.003336 0.056 Uiso 1 1 calc R U . . .
C21 C 0.8812(3) 0.8811(4) 0.0717(2) 0.0528(9) Uani 1 1 d . . . . .
H21 H 0.888961 0.984044 0.055599 0.063 Uiso 1 1 calc R U . . .
C22 C 0.8167(3) 0.8490(4) 0.1259(2) 0.0437(8) Uani 1 1 d . . . . .
H22 H 0.780093 0.930363 0.146805 0.052 Uiso 1 1 calc R U . . .
C23 C 0.8054(3) 0.7314(3) 0.32144(18) 0.0357(7) Uani 1 1 d . . . . .
C24 C 0.9180(3) 0.7988(4) 0.3380(2) 0.0488(8) Uani 1 1 d . . . . .
H24 H 0.952819 0.810405 0.294165 0.059 Uiso 1 1 calc R U . . .
C25 C 0.9805(4) 0.8497(5) 0.4193(3) 0.0722(12) Uani 1 1 d . . . . .
H25 H 1.057240 0.897636 0.430373 0.087 Uiso 1 1 calc R U . . .
C26 C 0.9323(5) 0.8313(6) 0.4828(2) 0.0829(16) Uani 1 1 d . . . . .
H26 H 0.975317 0.866762 0.537850 0.100 Uiso 1 1 calc R U . . .
C27 C 0.8226(6) 0.7624(6) 0.4676(3) 0.0821(15) Uani 1 1 d . . . . .
H27 H 0.790143 0.747352 0.512351 0.099 Uiso 1 1 calc R U . . .
C28 C 0.7586(4) 0.7142(4) 0.3873(2) 0.0579(10) Uani 1 1 d . . . . .
H28 H 0.681119 0.668554 0.376895 0.069 Uiso 1 1 calc R U . . .
C29 C 0.2693(3) 0.3702(3) 0.28663(17) 0.0336(6) Uani 1 1 d . . . . .
C30 C 0.1547(3) 0.3828(4) 0.2275(2) 0.0431(8) Uani 1 1 d . . . . .
H30 H 0.132771 0.473475 0.194740 0.052 Uiso 1 1 calc R U . . .
C31 C 0.0723(3) 0.2640(4) 0.2161(3) 0.0526(9) Uani 1 1 d . . . . .
H31 H -0.005598 0.273624 0.175138 0.063 Uiso 1 1 calc R U . . .
C32 C 0.1019(3) 0.1312(4) 0.2635(2) 0.0520(9) Uani 1 1 d . . . . .
H32 H 0.044845 0.050161 0.255426 0.062 Uiso 1 1 calc R U . . .
C33 C 0.2147(4) 0.1180(4) 0.3223(2) 0.0516(9) Uani 1 1 d . . . . .
H33 H 0.235320 0.028128 0.355940 0.062 Uiso 1 1 calc R U . . .
C34 C 0.2989(3) 0.2352(4) 0.33306(19) 0.0439(8) Uani 1 1 d . . . . .
H34 H 0.377641 0.223205 0.372564 0.053 Uiso 1 1 calc R U . . .
C35 C 0.3582(3) 0.6346(3) 0.38902(16) 0.0332(6) Uani 1 1 d . . . . .
C36 C 0.4276(3) 0.7655(4) 0.41609(19) 0.0428(8) Uani 1 1 d . . . . .
H36 H 0.481839 0.798029 0.387464 0.051 Uiso 1 1 calc R U . . .
C37 C 0.4189(3) 0.8497(4) 0.4843(2) 0.0505(9) Uani 1 1 d . . . . .
H37 H 0.466249 0.939707 0.501686 0.061 Uiso 1 1 calc R U . . .
C38 C 0.3420(4) 0.8026(5) 0.5266(2) 0.0552(9) Uani 1 1 d . . . . .
H38 H 0.336969 0.859082 0.573830 0.066 Uiso 1 1 calc R U . . .
C39 C 0.2728(4) 0.6750(5) 0.5009(2) 0.0585(9) Uani 1 1 d . . . . .
H39 H 0.219601 0.643078 0.530459 0.070 Uiso 1 1 calc R U . . .
C40 C 0.2791(3) 0.5910(4) 0.4319(2) 0.0463(8) Uani 1 1 d . . . . .
H40 H 0.229112 0.503399 0.413897 0.056 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 C17 1.835(3) . ?
P1 C23 1.836(3) . ?
P1 C2 1.841(3) . ?
P2 C15 1.832(3) . ?
P2 C29 1.835(3) . ?
P2 C35 1.840(3) . ?
Si1 C16 1.876(3) . ?
Si1 C1 1.875(3) . ?
Si1 C9 1.885(3) . ?
Si1 C8 1.890(3) . ?
C1 C2 1.405(4) . ?
C1 C6 1.408(4) . ?
C2 C3 1.393(4) . ?
C3 C4 1.394(5) . ?
C4 C5 1.379(4) . ?
C5 C6 1.391(4) . ?
C6 C7 1.512(4) . ?
C7 C8 1.535(4) . ?
C9 C10 1.526(5) . ?
C10 C11 1.514(4) . ?
C11 C12 1.383(4) . ?
C11 C16 1.409(4) . ?
C12 C13 1.376(4) . ?
C13 C14 1.392(4) . ?
C14 C15 1.390(4) . ?
C15 C16 1.402(4) . ?
C17 C18 1.380(4) . ?
C17 C22 1.402(4) . ?
C18 C19 1.381(4) . ?
C19 C20 1.381(5) . ?
C20 C21 1.382(5) . ?
C21 C22 1.381(4) . ?
C23 C24 1.383(5) . ?
C23 C28 1.385(4) . ?
C24 C25 1.395(5) . ?
C25 C26 1.361(7) . ?
C26 C27 1.360(7) . ?
C27 C28 1.379(6) . ?
C29 C34 1.392(4) . ?
C29 C30 1.389(4) . ?
C30 C31 1.384(5) . ?
C31 C32 1.385(5) . ?
C32 C33 1.372(5) . ?
C33 C34 1.388(5) . ?
C35 C40 1.389(4) . ?
C35 C36 1.390(4) . ?
C36 C37 1.389(5) . ?
C37 C38 1.369(5) . ?
C38 C39 1.361(5) . ?
C39 C40 1.390(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
C17 P1 C23 102.77(13) . . ?
C17 P1 C2 104.23(12) . . ?
C23 P1 C2 99.86(13) . . ?
C15 P2 C29 103.40(13) . . ?
C15 P2 C35 102.81(12) . . ?
C29 P2 C35 102.36(13) . . ?
C16 Si1 C1 121.62(12) . . ?
C16 Si1 C9 93.32(13) . . ?
C1 Si1 C9 115.33(13) . . ?
C16 Si1 C8 117.77(12) . . ?
C1 Si1 C8 93.64(13) . . ?
C9 Si1 C8 117.24(14) . . ?
C2 C1 C6 119.8(3) . . ?
C2 C1 Si1 130.9(2) . . ?
C6 C1 Si1 109.2(2) . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 P1 122.7(2) . . ?
C1 C2 P1 117.8(2) . . ?
C2 C3 C4 120.5(3) . . ?
C5 C4 C3 120.1(3) . . ?
C4 C5 C6 120.7(3) . . ?
C5 C6 C1 119.5(3) . . ?
C5 C6 C7 122.7(3) . . ?
C1 C6 C7 117.7(3) . . ?
C6 C7 C8 111.6(2) . . ?
C7 C8 Si1 107.24(19) . . ?
C10 C9 Si1 107.23(18) . . ?
C11 C10 C9 111.5(2) . . ?
C12 C11 C16 120.0(3) . . ?
C12 C11 C10 122.4(2) . . ?
C16 C11 C10 117.5(3) . . ?
C13 C12 C11 120.7(3) . . ?
C12 C13 C14 119.8(3) . . ?
C15 C14 C13 120.6(3) . . ?
C14 C15 C16 119.7(2) . . ?
C14 C15 P2 123.7(2) . . ?
C16 C15 P2 116.5(2) . . ?
C15 C16 C11 119.1(3) . . ?
C15 C16 Si1 131.8(2) . . ?
C11 C16 Si1 109.03(19) . . ?
C18 C17 C22 117.8(3) . . ?
C18 C17 P1 124.9(2) . . ?
C22 C17 P1 117.1(2) . . ?
C17 C18 C19 121.3(3) . . ?
C18 C19 C20 120.4(3) . . ?
C21 C20 C19 119.4(3) . . ?
C20 C21 C22 120.1(3) . . ?
C21 C22 C17 121.0(3) . . ?
C24 C23 C28 118.4(3) . . ?
C24 C23 P1 125.3(2) . . ?
C28 C23 P1 116.2(3) . . ?
C23 C24 C25 119.8(4) . . ?
C26 C25 C24 120.5(4) . . ?
C25 C26 C27 120.2(4) . . ?
C26 C27 C28 120.0(4) . . ?
C27 C28 C23 121.0(4) . . ?
C34 C29 C30 118.4(3) . . ?
C34 C29 P2 117.6(2) . . ?
C30 C29 P2 124.0(2) . . ?
C31 C30 C29 120.3(3) . . ?
C30 C31 C32 120.8(3) . . ?
C33 C32 C31 119.2(3) . . ?
C32 C33 C34 120.4(3) . . ?
C33 C34 C29 120.8(3) . . ?
C40 C35 C36 118.0(3) . . ?
C40 C35 P2 123.5(2) . . ?
C36 C35 P2 118.3(2) . . ?
C37 C36 C35 121.1(3) . . ?
C38 C37 C36 119.8(3) . . ?
C39 C38 C37 120.1(3) . . ?
C38 C39 C40 120.7(3) . . ?
C35 C40 C39 120.3(3) . . ?

_refine_diff_density_max         0.210
_refine_diff_density_min         -0.155
_refine_diff_density_rms         0.035

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

data_ga_221024d_a
_database_code_depnum_ccdc_archive 'CCDC 2220312'
loop_
_audit_author_name
_audit_author_address
'Fei Hou'
;fudan university
China
;
_audit_update_record             
;
2022-11-17 deposited with the CCDC.	2023-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H38 Cl6 P2 Pd Si'
_chemical_formula_weight         951.85

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'

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

_cell_length_a                   9.9943(14)
_cell_length_b                   20.420(3)
_cell_length_c                   20.447(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4172.9(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9962
_cell_measurement_theta_min      4.28
_cell_measurement_theta_max      58.12

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_F_000             1928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    5.600
_shelx_estimated_absorpt_T_min   0.313
_shelx_estimated_absorpt_T_max   0.807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_T_max  0.805
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29824
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         4.207
_diffrn_reflns_theta_max         57.489
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             8649
_reflns_number_gt                8380
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.787
_reflns_Friedel_fraction_max     0.989
_reflns_Friedel_fraction_full    0.988

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0097P)²+3.4954P] 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 
; 
 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)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8649
_refine_ls_number_parameters     469
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0528
_refine_ls_wR_factor_gt          0.0522
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . . . . .


_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
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_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_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) . . . . ?

_refine_diff_density_max         0.546
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.052

