# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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data_cu_cook1_0m
_database_code_depnum_ccdc_archive 'CCDC 2086211'
_audit_update_record             
;
2021-05-27 deposited with the CCDC.	2021-09-03 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            'C47 H61 F9 P2 Pd Si'
_chemical_formula_weight         993.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_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+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'

_cell_length_a                   18.3966(6)
_cell_length_b                   21.9565(7)
_cell_length_c                   22.9636(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9275.6(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9796
_cell_measurement_theta_min      3.68
_cell_measurement_theta_max      66.54

_exptl_crystal_description       cut-block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_F_000             4112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    4.716
_shelx_estimated_absorpt_T_min   0.501
_shelx_estimated_absorpt_T_max   0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4569
_exptl_absorpt_correction_T_max  0.5842
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec I\mS'
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            54242
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.678
_diffrn_reflns_theta_max         66.634
_diffrn_reflns_theta_full        66.634
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8175
_reflns_number_gt                7340
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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)+(0.0326P)²+6.5302P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8175
_refine_ls_number_parameters     600
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0715
_refine_ls_wR_factor_gt          0.0690
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.002
_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 0.09253(2) 0.21629(2) 0.49255(2) 0.02049(6) Uani 1 1 d . . . . .
P1 P -0.03353(3) 0.22495(2) 0.50422(2) 0.02181(12) Uani 1 1 d . . . . .
P2 P 0.07259(3) 0.24016(2) 0.39370(2) 0.02171(11) Uani 1 1 d . . . . .
Si1 Si 0.14790(3) 0.18380(3) 0.57893(2) 0.02280(12) Uani 1 1 d . . . . .
C1 C -0.06876(11) 0.25983(10) 0.43627(9) 0.0262(4) Uani 1 1 d . . . . .
H1A H -0.1207 0.2490 0.4317 0.031 Uiso 1 1 calc R U . . .
H1B H -0.0655 0.3047 0.4395 0.031 Uiso 1 1 calc R U . . .
C2 C -0.02699(11) 0.23911(10) 0.38205(9) 0.0264(4) Uani 1 1 d . . . . .
H2A H -0.0393 0.2662 0.3491 0.032 Uiso 1 1 calc R U . . .
H2B H -0.0423 0.1973 0.3716 0.032 Uiso 1 1 calc R U . . .
C3 C -0.08862(11) 0.15463(10) 0.51098(9) 0.0251(4) Uani 1 1 d . . . . .
H3A H -0.1374 0.1628 0.4934 0.030 Uiso 1 1 calc R U . . .
C4 C -0.05313(14) 0.10306(10) 0.47629(11) 0.0356(5) Uani 1 1 d . . . . .
H4A H -0.0505 0.1150 0.4348 0.043 Uiso 1 1 calc R U . . .
H4B H -0.0028 0.0971 0.4904 0.043 Uiso 1 1 calc R U . . .
C5 C -0.09434(14) 0.04286(11) 0.48131(11) 0.0388(6) Uani 1 1 d . . . . .
H5A H -0.1427 0.0471 0.4629 0.047 Uiso 1 1 calc R U . . .
H5B H -0.0673 0.0106 0.4603 0.047 Uiso 1 1 calc R U . . .
C6 C -0.10366(14) 0.02450(11) 0.54447(11) 0.0385(6) Uani 1 1 d . . . . .
H6A H -0.0555 0.0165 0.5621 0.046 Uiso 1 1 calc R U . . .
H6B H -0.1326 -0.0134 0.5468 0.046 Uiso 1 1 calc R U . . .
C7 C -0.14181(14) 0.07483(11) 0.57785(11) 0.0369(5) Uani 1 1 d . . . . .
H7A H -0.1467 0.0627 0.6192 0.044 Uiso 1 1 calc R U . . .
H7B H -0.1913 0.0806 0.5618 0.044 Uiso 1 1 calc R U . . .
C8 C -0.10034(13) 0.13481(11) 0.57421(10) 0.0317(5) Uani 1 1 d . . . . .
H8A H -0.0526 0.1302 0.5936 0.038 Uiso 1 1 calc R U . . .
H8B H -0.1278 0.1668 0.5951 0.038 Uiso 1 1 calc R U . . .
C9 C -0.06853(11) 0.27596(9) 0.56153(9) 0.0250(4) Uani 1 1 d . . . . .
H9A H -0.0640 0.2530 0.5990 0.030 Uiso 1 1 calc R U . . .
C10 C -0.14911(12) 0.29294(11) 0.55560(11) 0.0337(5) Uani 1 1 d . . . . .
H10A H -0.1565 0.3169 0.5195 0.040 Uiso 1 1 calc R U . . .
H10B H -0.1787 0.2554 0.5527 0.040 Uiso 1 1 calc R U . . .
C11 C -0.17386(13) 0.33033(12) 0.60825(11) 0.0403(6) Uani 1 1 d . . . . .
H11A H -0.2250 0.3431 0.6026 0.048 Uiso 1 1 calc R U . . .
H11B H -0.1717 0.3046 0.6436 0.048 Uiso 1 1 calc R U . . .
C12 C -0.12659(15) 0.38634(12) 0.61689(12) 0.0442(6) Uani 1 1 d . . . . .
H12A H -0.1418 0.4077 0.6529 0.053 Uiso 1 1 calc R U . . .
H12B H -0.1337 0.4145 0.5837 0.053 Uiso 1 1 calc R U . . .
C13 C -0.04656(14) 0.36983(11) 0.62140(11) 0.0394(6) Uani 1 1 d . . . . .
H13A H -0.0384 0.3456 0.6571 0.047 Uiso 1 1 calc R U . . .
H13B H -0.0173 0.4076 0.6245 0.047 Uiso 1 1 calc R U . . .
C14 C -0.02145(12) 0.33326(10) 0.56834(10) 0.0330(5) Uani 1 1 d . . . . .
H14A H 0.0301 0.3214 0.5732 0.040 Uiso 1 1 calc R U . . .
H14B H -0.0254 0.3587 0.5329 0.040 Uiso 1 1 calc R U . . .
C15 C 0.10797(11) 0.18304(9) 0.34164(9) 0.0246(4) Uani 1 1 d . . . . .
H15A H 0.1621 0.1875 0.3416 0.030 Uiso 1 1 calc R U . . .
C16 C 0.08314(13) 0.19174(10) 0.27857(9) 0.0291(5) Uani 1 1 d . . . . .
H16A H 0.0295 0.1893 0.2767 0.035 Uiso 1 1 calc R U . . .
H16B H 0.0978 0.2327 0.2649 0.035 Uiso 1 1 calc R U . . .
C17 C 0.11581(15) 0.14371(11) 0.23857(10) 0.0366(5) Uani 1 1 d . . . . .
H17A H 0.0960 0.1491 0.1988 0.044 Uiso 1 1 calc R U . . .
H17B H 0.1691 0.1495 0.2366 0.044 Uiso 1 1 calc R U . . .
C18 C 0.09947(17) 0.07963(11) 0.25948(11) 0.0439(6) Uani 1 1 d . . . . .
H18A H 0.1238 0.0498 0.2337 0.053 Uiso 1 1 calc R U . . .
H18B H 0.0464 0.0722 0.2576 0.053 Uiso 1 1 calc R U . . .
C19 C 0.12594(18) 0.07098(11) 0.32176(11) 0.0458(7) Uani 1 1 d . . . . .
H19A H 0.1795 0.0750 0.3230 0.055 Uiso 1 1 calc R U . . .
H19B H 0.1131 0.0295 0.3353 0.055 Uiso 1 1 calc R U . . .
C20 C 0.09174(14) 0.11803(10) 0.36223(10) 0.0352(5) Uani 1 1 d . . . . .
H20A H 0.1110 0.1124 0.4021 0.042 Uiso 1 1 calc R U . . .
H20B H 0.0385 0.1117 0.3635 0.042 Uiso 1 1 calc R U . . .
C21 C 0.10008(11) 0.31386(10) 0.36125(9) 0.0258(4) Uani 1 1 d . . . . .
H21A H 0.0786 0.3160 0.3213 0.031 Uiso 1 1 calc R U . . .
C22 C 0.07030(12) 0.36774(10) 0.39595(10) 0.0321(5) Uani 1 1 d . . . . .
H22A H 0.0896 0.3662 0.4362 0.038 Uiso 1 1 calc R U . . .
H22B H 0.0167 0.3647 0.3981 0.038 Uiso 1 1 calc R U . . .
C23 C 0.09125(14) 0.42856(11) 0.36798(13) 0.0446(6) Uani 1 1 d . . . . .
H23A H 0.0670 0.4323 0.3296 0.054 Uiso 1 1 calc R U . . .
H23B H 0.0740 0.4624 0.3929 0.054 Uiso 1 1 calc R U . . .
C24 C 0.17303(16) 0.43370(12) 0.35993(14) 0.0512(7) Uani 1 1 d . . . . .
H24A H 0.1844 0.4718 0.3388 0.061 Uiso 1 1 calc R U . . .
H24B H 0.1968 0.4356 0.3985 0.061 Uiso 1 1 calc R U . . .
C25 C 0.20281(16) 0.37992(12) 0.32612(14) 0.0527(7) Uani 1 1 d . . . . .
H25A H 0.2564 0.3833 0.3237 0.063 Uiso 1 1 calc R U . . .
H25B H 0.1832 0.3808 0.2860 0.063 Uiso 1 1 calc R U . . .
C26 C 0.18259(13) 0.31934(11) 0.35495(12) 0.0406(6) Uani 1 1 d . . . . .
H26A H 0.2011 0.2852 0.3310 0.049 Uiso 1 1 calc R U . . .
H26B H 0.2056 0.3168 0.3938 0.049 Uiso 1 1 calc R U . . .
C27 C 0.21179(11) 0.11548(10) 0.57197(9) 0.0265(4) Uani 1 1 d . . . . .
C28 C 0.24281(16) 0.08721(12) 0.62063(11) 0.0452(7) Uani 1 1 d . . . . .
H28A H 0.2297 0.1011 0.6584 0.054 Uiso 1 1 calc R U . . .
C29 C 0.29189(15) 0.03977(13) 0.61580(12) 0.0476(7) Uani 1 1 d . . . . .
H29A H 0.3128 0.0222 0.6497 0.057 Uiso 1 1 calc R U . . .
C30 C 0.31026(12) 0.01811(11) 0.56104(11) 0.0351(5) Uani 1 1 d . . . . .
C31 C 0.27725(15) 0.04230(11) 0.51264(10) 0.0384(6) Uani 1 1 d . . . . .
H31A H 0.2874 0.0259 0.4752 0.046 Uiso 1 1 calc R U . . .
C32 C 0.22904(13) 0.09070(10) 0.51833(10) 0.0309(5) Uani 1 1 d . . . . .
H32A H 0.2073 0.1073 0.4843 0.037 Uiso 1 1 calc R U . . .
C33 C 0.36515(16) -0.03155(13) 0.55443(14) 0.0544(8) Uani 1 1 d . . . . .
C34 C 0.20577(11) 0.24533(10) 0.61559(9) 0.0260(4) Uani 1 1 d . . . . .
C35 C 0.23647(14) 0.23743(11) 0.67085(10) 0.0362(5) Uani 1 1 d . . . . .
H35A H 0.2265 0.2010 0.6916 0.043 Uiso 1 1 calc R U . . .
C36 C 0.28066(14) 0.28059(12) 0.69630(11) 0.0397(6) Uani 1 1 d . . . . .
H36A H 0.3013 0.2733 0.7336 0.048 Uiso 1 1 calc R U . . .
C37 C 0.29491(12) 0.33451(11) 0.66750(10) 0.0342(5) Uani 1 1 d . . . . .
C38 C 0.26460(13) 0.34436(11) 0.61314(10) 0.0367(5) Uani 1 1 d . . . . .
H38A H 0.2736 0.3815 0.5932 0.044 Uiso 1 1 calc R U . . .
C39 C 0.22112(13) 0.30011(11) 0.58776(10) 0.0327(5) Uani 1 1 d . . . . .
H39A H 0.2012 0.3074 0.5502 0.039 Uiso 1 1 calc R U . . .
C40 C 0.33853(14) 0.38334(13) 0.69653(12) 0.0454(7) Uani 1 1 d . . . . .
C41 C 0.08369(11) 0.15890(10) 0.63991(9) 0.0249(4) Uani 1 1 d . . . . .
C42 C 0.04267(12) 0.20311(10) 0.66885(9) 0.0277(5) Uani 1 1 d . . . . .
H42A H 0.0522 0.2449 0.6613 0.033 Uiso 1 1 calc R U . . .
C43 C -0.01166(12) 0.18787(11) 0.70826(9) 0.0320(5) Uani 1 1 d . . . . .
H43A H -0.0389 0.2190 0.7270 0.038 Uiso 1 1 calc R U . . .
C44 C -0.02602(13) 0.12742(11) 0.72007(9) 0.0343(5) Uani 1 1 d . . . . .
C45 C 0.01479(14) 0.08226(11) 0.69380(10) 0.0360(5) Uani 1 1 d . . . . .
H45A H 0.0060 0.0407 0.7028 0.043 Uiso 1 1 calc R U . . .
C46 C 0.06851(13) 0.09782(10) 0.65424(10) 0.0320(5) Uani 1 1 d . . . . .
H46A H 0.0959 0.0664 0.6362 0.038 Uiso 1 1 calc R U . . .
C47 C -0.08602(15) 0.11079(14) 0.76102(11) 0.0492(7) Uani 1 1 d D . . . .
F1 F 0.34100(13) -0.07607(8) 0.51873(9) 0.0773(6) Uani 1 1 d . . . . .
F2 F 0.38027(11) -0.06009(9) 0.60402(9) 0.0745(6) Uani 1 1 d . . . . .
F3 F 0.42627(12) -0.01230(11) 0.53144(16) 0.1189(11) Uani 1 1 d . . . . .
F4 F 0.39030(10) 0.36037(10) 0.73170(10) 0.0794(6) Uani 1 1 d . . . . .
F5 F 0.37353(13) 0.41878(11) 0.66013(8) 0.0899(8) Uani 1 1 d . . . . .
F6 F 0.29912(10) 0.41832(9) 0.73107(9) 0.0758(6) Uani 1 1 d . . . . .
F7 F -0.1305(8) 0.0710(6) 0.7385(6) 0.026(2) Uani 0.3333 1 d D . P A 1
F8 F -0.1253(11) 0.1576(6) 0.7773(9) 0.117(10) Uani 0.3333 1 d D . P A 1
F9 F -0.0633(6) 0.0830(8) 0.8097(4) 0.093(8) Uani 0.3333 1 d D . P A 1
F7A F -0.1388(9) 0.0843(6) 0.7348(8) 0.065(6) Uani 0.3333 1 d D . P A 1
F8A F -0.1044(14) 0.1458(7) 0.8009(8) 0.125(9) Uani 0.3333 1 d D . P A 1
F9A F -0.0610(8) 0.0564(5) 0.7951(4) 0.058(3) Uani 0.3333 1 d D . P A 1
F7B F -0.1234(9) 0.0635(6) 0.7527(6) 0.075(7) Uani 0.3333 1 d D . P A 1
F8B F -0.1435(5) 0.1567(5) 0.7510(5) 0.067(4) Uani 0.3333 1 d D . P A 1
F9B F -0.0729(8) 0.1247(7) 0.8138(5) 0.076(5) Uani 0.3333 1 d D . P A 1
H1 H 0.1785(19) 0.2136(13) 0.4878(13) 0.059(9) Uiso 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 Si1 2.3413(5) . ?
Pd1 P1 2.3422(5) . ?
Pd1 P2 2.3584(5) . ?
Pd1 H1 1.59(3) . ?
P1 C9 1.844(2) . ?
P1 C3 1.853(2) . ?
P1 C1 1.855(2) . ?
P2 C15 1.851(2) . ?
P2 C2 1.851(2) . ?
P2 C21 1.852(2) . ?
Si1 C41 1.912(2) . ?
Si1 C27 1.912(2) . ?
Si1 C34 1.915(2) . ?
C1 C2 1.532(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.531(3) . ?
C3 C8 1.531(3) . ?
C3 H3A 1.0000 . ?
C4 C5 1.528(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.515(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.517(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.524(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.534(3) . ?
C9 C14 1.535(3) . ?
C9 H9A 1.0000 . ?
C10 C11 1.531(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.519(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.520(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.531(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.531(3) . ?
C15 C20 1.533(3) . ?
C15 H15A 1.0000 . ?
C16 C17 1.522(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.517(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.522(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.525(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.528(3) . ?
C21 C26 1.529(3) . ?
C21 H21A 1.0000 . ?
C22 C23 1.531(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.520(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.516(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.532(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C32 1.384(3) . ?
C27 C28 1.400(3) . ?
C28 C29 1.383(4) . ?
C28 H28A 0.9500 . ?
C29 C30 1.386(4) . ?
C29 H29A 0.9500 . ?
C30 C31 1.374(4) . ?
C30 C33 1.494(3) . ?
C31 C32 1.390(3) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
C33 F3 1.312(4) . ?
C33 F2 1.329(4) . ?
C33 F1 1.351(4) . ?
C34 C39 1.391(3) . ?
C34 C35 1.400(3) . ?
C35 C36 1.378(3) . ?
C35 H35A 0.9500 . ?
C36 C37 1.381(4) . ?
C36 H36A 0.9500 . ?
C37 C38 1.384(3) . ?
C37 C40 1.496(3) . ?
C38 C39 1.387(3) . ?
C38 H38A 0.9500 . ?
C39 H39A 0.9500 . ?
C40 F5 1.311(3) . ?
C40 F6 1.321(3) . ?
C40 F4 1.347(3) . ?
C41 C42 1.398(3) . ?
C41 C46 1.409(3) . ?
C42 C43 1.389(3) . ?
C42 H42A 0.9500 . ?
C43 C44 1.380(3) . ?
C43 H43A 0.9500 . ?
C44 C45 1.382(3) . ?
C44 C47 1.495(3) . ?
C45 C46 1.385(3) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C47 F8A 1.241(13) . ?
C47 F7B 1.260(11) . ?
C47 F9B 1.274(11) . ?
C47 F7A 1.282(12) . ?
C47 F7 1.304(12) . ?
C47 F8 1.309(11) . ?
C47 F9 1.340(10) . ?
C47 F8B 1.479(8) . ?
C47 F9A 1.500(9) . ?
F8 F8B 0.69(2) . ?
F8 F8A 0.71(4) . ?
F8 F9B 1.47(2) . ?
F9 F9A 0.675(18) . ?
F9 F9B 0.938(17) . ?
F9 F8A 1.58(2) . ?
F9 F7B 1.765(16) . ?
F7A F7B 0.68(3) . ?
F7A F8B 1.635(19) . ?
F8A F9B 0.80(3) . ?
F8A F8B 1.37(3) . ?
F9A F7B 1.512(19) . ?
F9A F9B 1.58(2) . ?

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
Si1 Pd1 P1 111.010(19) . . ?
Si1 Pd1 P2 161.97(2) . . ?
P1 Pd1 P2 86.455(18) . . ?
Si1 Pd1 H1 67.2(11) . . ?
P1 Pd1 H1 176.4(11) . . ?
P2 Pd1 H1 95.6(11) . . ?
C9 P1 C3 104.79(10) . . ?
C9 P1 C1 103.16(10) . . ?
C3 P1 C1 102.90(10) . . ?
C9 P1 Pd1 118.47(7) . . ?
C3 P1 Pd1 118.90(7) . . ?
C1 P1 Pd1 106.45(7) . . ?
C15 P2 C2 104.26(10) . . ?
C15 P2 C21 103.66(10) . . ?
C2 P2 C21 102.88(10) . . ?
C15 P2 Pd1 114.61(7) . . ?
C2 P2 Pd1 106.86(7) . . ?
C21 P2 Pd1 122.61(7) . . ?
C41 Si1 C27 102.51(10) . . ?
C41 Si1 C34 102.90(9) . . ?
C27 Si1 C34 104.39(9) . . ?
C41 Si1 Pd1 116.03(6) . . ?
C27 Si1 Pd1 115.82(7) . . ?
C34 Si1 Pd1 113.54(7) . . ?
C2 C1 P1 112.69(14) . . ?
C2 C1 H1A 109.1 . . ?
P1 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.8 . . ?
C1 C2 P2 112.04(14) . . ?
C1 C2 H2A 109.2 . . ?
P2 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
P2 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C8 110.08(19) . . ?
C4 C3 P1 109.84(15) . . ?
C8 C3 P1 113.15(15) . . ?
C4 C3 H3A 107.9 . . ?
C8 C3 H3A 107.9 . . ?
P1 C3 H3A 107.9 . . ?
C5 C4 C3 112.9(2) . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C3 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C6 C5 C4 111.0(2) . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 C7 110.0(2) . . ?
C5 C6 H6A 109.7 . . ?
C7 C6 H6A 109.7 . . ?
C5 C6 H6B 109.7 . . ?
C7 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
C6 C7 C8 111.7(2) . . ?
C6 C7 H7A 109.3 . . ?
C8 C7 H7A 109.3 . . ?
C6 C7 H7B 109.3 . . ?
C8 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 C3 111.60(19) . . ?
C7 C8 H8A 109.3 . . ?
C3 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C3 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C14 110.79(18) . . ?
C10 C9 P1 114.93(15) . . ?
C14 C9 P1 111.91(15) . . ?
C10 C9 H9A 106.2 . . ?
C14 C9 H9A 106.2 . . ?
P1 C9 H9A 106.2 . . ?
C11 C10 C9 110.34(19) . . ?
C11 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C12 C11 C10 111.5(2) . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C13 111.7(2) . . ?
C11 C12 H12A 109.3 . . ?
C13 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C13 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C12 C13 C14 111.3(2) . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C9 109.91(19) . . ?
C13 C14 H14A 109.7 . . ?
C9 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C9 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 C20 110.48(18) . . ?
C16 C15 P2 114.94(15) . . ?
C20 C15 P2 111.29(14) . . ?
C16 C15 H15A 106.5 . . ?
C20 C15 H15A 106.5 . . ?
P2 C15 H15A 106.5 . . ?
C17 C16 C15 111.51(18) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 C16 111.93(19) . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
C16 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 C19 110.5(2) . . ?
C17 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C18 C19 C20 110.9(2) . . ?
C18 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C19 C20 C15 111.23(19) . . ?
C19 C20 H20A 109.4 . . ?
C15 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
C15 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C22 C21 C26 110.14(18) . . ?
C22 C21 P2 111.65(15) . . ?
C26 C21 P2 112.20(16) . . ?
C22 C21 H21A 107.5 . . ?
C26 C21 H21A 107.5 . . ?
P2 C21 H21A 107.5 . . ?
C21 C22 C23 111.5(2) . . ?
C21 C22 H22A 109.3 . . ?
C23 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
C23 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
C24 C23 C22 111.4(2) . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 111.2(2) . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24B 109.4 . . ?
C23 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C24 C25 C26 111.6(2) . . ?
C24 C25 H25A 109.3 . . ?
C26 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
C26 C25 H25B 109.3 . . ?
H25A C25 H25B 108.0 . . ?
C21 C26 C25 110.5(2) . . ?
C21 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C32 C27 C28 116.3(2) . . ?
C32 C27 Si1 121.59(16) . . ?
C28 C27 Si1 122.12(17) . . ?
C29 C28 C27 122.4(2) . . ?
C29 C28 H28A 118.8 . . ?
C27 C28 H28A 118.8 . . ?
C28 C29 C30 119.4(2) . . ?
C28 C29 H29A 120.3 . . ?
C30 C29 H29A 120.3 . . ?
C31 C30 C29 119.6(2) . . ?
C31 C30 C33 119.9(2) . . ?
C29 C30 C33 120.5(2) . . ?
C30 C31 C32 120.1(2) . . ?
C30 C31 H31A 119.9 . . ?
C32 C31 H31A 119.9 . . ?
C27 C32 C31 122.0(2) . . ?
C27 C32 H32A 119.0 . . ?
C31 C32 H32A 119.0 . . ?
F3 C33 F2 108.5(3) . . ?
F3 C33 F1 105.7(3) . . ?
F2 C33 F1 104.3(2) . . ?
F3 C33 C30 112.6(2) . . ?
F2 C33 C30 113.5(2) . . ?
F1 C33 C30 111.6(3) . . ?
C39 C34 C35 116.2(2) . . ?
C39 C34 Si1 121.40(16) . . ?
C35 C34 Si1 122.37(17) . . ?
C36 C35 C34 122.5(2) . . ?
C36 C35 H35A 118.8 . . ?
C34 C35 H35A 118.8 . . ?
C35 C36 C37 119.9(2) . . ?
C35 C36 H36A 120.1 . . ?
C37 C36 H36A 120.1 . . ?
C36 C37 C38 119.3(2) . . ?
C36 C37 C40 120.2(2) . . ?
C38 C37 C40 120.4(2) . . ?
C37 C38 C39 120.1(2) . . ?
C37 C38 H38A 119.9 . . ?
C39 C38 H38A 119.9 . . ?
C38 C39 C34 122.0(2) . . ?
C38 C39 H39A 119.0 . . ?
C34 C39 H39A 119.0 . . ?
F5 C40 F6 107.9(3) . . ?
F5 C40 F4 104.9(2) . . ?
F6 C40 F4 104.2(2) . . ?
F5 C40 C37 113.9(2) . . ?
F6 C40 C37 113.0(2) . . ?
F4 C40 C37 112.2(2) . . ?
C42 C41 C46 116.3(2) . . ?
C42 C41 Si1 118.90(17) . . ?
C46 C41 Si1 124.45(16) . . ?
C43 C42 C41 122.1(2) . . ?
C43 C42 H42A 119.0 . . ?
C41 C42 H42A 119.0 . . ?
C44 C43 C42 119.8(2) . . ?
C44 C43 H43A 120.1 . . ?
C42 C43 H43A 120.1 . . ?
C43 C44 C45 120.0(2) . . ?
C43 C44 C47 120.0(2) . . ?
C45 C44 C47 120.0(2) . . ?
C44 C45 C46 119.8(2) . . ?
C44 C45 H45A 120.1 . . ?
C46 C45 H45A 120.1 . . ?
C45 C46 C41 122.0(2) . . ?
C45 C46 H46A 119.0 . . ?
C41 C46 H46A 119.0 . . ?
F8A C47 F7B 118.2(14) . . ?
F8A C47 F9B 37.0(13) . . ?
F7B C47 F9B 116.5(10) . . ?
F8A C47 F7A 114.9(13) . . ?
F7B C47 F7A 30.9(12) . . ?
F9B C47 F7A 134.4(12) . . ?
F8A C47 F7 122.4(14) . . ?
F7B C47 F7 17.3(9) . . ?
F9B C47 F7 131.1(10) . . ?
F7A C47 F7 15.1(11) . . ?
F8A C47 F8 32.3(16) . . ?
F7B C47 F8 112.9(13) . . ?
F9B C47 F8 69.2(11) . . ?
F7A C47 F8 94.1(13) . . ?
F7 C47 F8 107.0(11) . . ?
F8A C47 F9 75.6(12) . . ?
F7B C47 F9 85.5(9) . . ?
F9B C47 F9 41.9(8) . . ?
F7A C47 F9 114.9(10) . . ?
F7 C47 F9 102.8(8) . . ?
F8 C47 F9 106.9(9) . . ?
F8A C47 F8B 59.9(13) . . ?
F7B C47 F8B 98.5(8) . . ?
F9B C47 F8B 96.9(7) . . ?
F7A C47 F8B 72.2(9) . . ?
F7 C47 F8B 86.9(9) . . ?
F8 C47 F8B 27.8(10) . . ?
F9 C47 F8B 131.5(7) . . ?
F8A C47 C44 120.9(11) . . ?
F7B C47 C44 120.6(8) . . ?
F9B C47 C44 113.6(8) . . ?
F7A C47 C44 112.0(9) . . ?
F7 C47 C44 112.2(7) . . ?
F8 C47 C44 113.2(8) . . ?
F9 C47 C44 113.9(5) . . ?
F8B C47 C44 105.3(5) . . ?
F8A C47 F9A 101.0(10) . . ?
F7B C47 F9A 65.8(9) . . ?
F9B C47 F9A 68.7(8) . . ?
F7A C47 F9A 96.6(8) . . ?
F7 C47 F9A 82.3(9) . . ?
F8 C47 F9A 130.2(10) . . ?
F9 C47 F9A 26.8(7) . . ?
F8B C47 F9A 147.5(7) . . ?
C44 C47 F9A 107.2(6) . . ?
F8B F8 F8A 156(3) . . ?
F8B F8 C47 89.9(14) . . ?
F8A F8 C47 68.6(16) . . ?
F8B F8 F9B 143.7(15) . . ?
F8A F8 F9B 14.7(17) . . ?
C47 F8 F9B 54.3(7) . . ?
F9A F9 F9B 155.2(19) . . ?
F9A F9 C47 90.0(13) . . ?
F9B F9 C47 65.3(10) . . ?
F9A F9 F8A 136.0(18) . . ?
F9B F9 F8A 22.1(12) . . ?
C47 F9 F8A 49.4(8) . . ?
F9A F9 F7B 57.3(15) . . ?
F9B F9 F7B 101.2(11) . . ?
C47 F9 F7B 45.4(5) . . ?
F8A F9 F7B 79.5(10) . . ?
F7B F7A C47 72.8(16) . . ?
F7B F7A F8B 123(2) . . ?
C47 F7A F8B 59.5(6) . . ?
F8 F8A F9B 152(3) . . ?
F8 F8A C47 79.1(17) . . ?
F9B F8A C47 73.7(16) . . ?
F8 F8A F8B 11.7(14) . . ?
F9B F8A F8B 142.4(19) . . ?
C47 F8A F8B 68.7(10) . . ?
F8 F8A F9 132.1(19) . . ?
F9B F8A F9 26.3(13) . . ?
C47 F8A F9 55.0(7) . . ?
F8B F8A F9 120.6(11) . . ?
F9 F9A C47 63.3(12) . . ?
F9 F9A F7B 100.6(18) . . ?
C47 F9A F7B 49.5(6) . . ?
F9 F9A F9B 14.4(12) . . ?
C47 F9A F9B 48.8(5) . . ?
F7B F9A F9B 88.4(9) . . ?
F7A F7B C47 76.3(16) . . ?
F7A F7B F9A 141(2) . . ?
C47 F7B F9A 64.8(7) . . ?
F7A F7B F9 123.2(18) . . ?
C47 F7B F9 49.2(6) . . ?
F9A F7B F9 22.1(7) . . ?
F8 F8B F8A 12.0(13) . . ?
F8 F8B C47 62.3(11) . . ?
F8A F8B C47 51.4(7) . . ?
F8 F8B F7A 101.5(16) . . ?
F8A F8B F7A 89.5(10) . . ?
C47 F8B F7A 48.3(6) . . ?
F8A F9B F9 132(2) . . ?
F8A F9B C47 69.3(14) . . ?
F9 F9B C47 72.8(9) . . ?
F8A F9B F8 13.1(15) . . ?
F9 F9B F8 123.0(13) . . ?
C47 F9B F8 56.5(7) . . ?
F8A F9B F9A 123(2) . . ?
F9 F9B F9A 10.3(7) . . ?
C47 F9B F9A 62.4(7) . . ?
F8 F9B F9A 113.7(11) . . ?

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
C9 P1 C1 C2 160.62(15) . . . . ?
C3 P1 C1 C2 -90.57(16) . . . . ?
Pd1 P1 C1 C2 35.21(16) . . . . ?
P1 C1 C2 P2 -44.80(19) . . . . ?
C15 P2 C2 C1 154.37(15) . . . . ?
C21 P2 C2 C1 -97.68(16) . . . . ?
Pd1 P2 C2 C1 32.63(16) . . . . ?
C9 P1 C3 C4 -166.13(16) . . . . ?
C1 P1 C3 C4 86.30(17) . . . . ?
Pd1 P1 C3 C4 -30.98(18) . . . . ?
C9 P1 C3 C8 -42.66(18) . . . . ?
C1 P1 C3 C8 -150.24(16) . . . . ?
Pd1 P1 C3 C8 92.49(16) . . . . ?
C8 C3 C4 C5 53.0(3) . . . . ?
P1 C3 C4 C5 178.23(17) . . . . ?
C3 C4 C5 C6 -55.3(3) . . . . ?
C4 C5 C6 C7 56.4(3) . . . . ?
C5 C6 C7 C8 -57.8(3) . . . . ?
C6 C7 C8 C3 56.8(3) . . . . ?
C4 C3 C8 C7 -53.2(3) . . . . ?
P1 C3 C8 C7 -176.50(16) . . . . ?
C3 P1 C9 C10 -60.93(18) . . . . ?
C1 P1 C9 C10 46.45(18) . . . . ?
Pd1 P1 C9 C10 163.68(13) . . . . ?
C3 P1 C9 C14 171.56(15) . . . . ?
C1 P1 C9 C14 -81.06(17) . . . . ?
Pd1 P1 C9 C14 36.17(18) . . . . ?
C14 C9 C10 C11 -57.2(3) . . . . ?
P1 C9 C10 C11 174.76(16) . . . . ?
C9 C10 C11 C12 55.4(3) . . . . ?
C10 C11 C12 C13 -54.8(3) . . . . ?
C11 C12 C13 C14 55.5(3) . . . . ?
C12 C13 C14 C9 -56.6(3) . . . . ?
C10 C9 C14 C13 57.7(2) . . . . ?
P1 C9 C14 C13 -172.57(16) . . . . ?
C2 P2 C15 C16 52.56(18) . . . . ?
C21 P2 C15 C16 -54.81(18) . . . . ?
Pd1 P2 C15 C16 169.03(13) . . . . ?
C2 P2 C15 C20 -73.98(17) . . . . ?
C21 P2 C15 C20 178.65(16) . . . . ?
Pd1 P2 C15 C20 42.49(17) . . . . ?
C20 C15 C16 C17 -54.2(2) . . . . ?
P2 C15 C16 C17 178.89(16) . . . . ?
C15 C16 C17 C18 55.2(3) . . . . ?
C16 C17 C18 C19 -56.1(3) . . . . ?
C17 C18 C19 C20 56.9(3) . . . . ?
C18 C19 C20 C15 -57.2(3) . . . . ?
C16 C15 C20 C19 55.4(3) . . . . ?
P2 C15 C20 C19 -175.64(18) . . . . ?
C15 P2 C21 C22 175.53(15) . . . . ?
C2 P2 C21 C22 67.13(17) . . . . ?
Pd1 P2 C21 C22 -52.84(17) . . . . ?
C15 P2 C21 C26 -60.28(18) . . . . ?
C2 P2 C21 C26 -168.67(17) . . . . ?
Pd1 P2 C21 C26 71.35(18) . . . . ?
C26 C21 C22 C23 56.3(3) . . . . ?
P2 C21 C22 C23 -178.31(16) . . . . ?
C21 C22 C23 C24 -55.2(3) . . . . ?
C22 C23 C24 C25 54.3(3) . . . . ?
C23 C24 C25 C26 -55.5(3) . . . . ?
C22 C21 C26 C25 -56.9(3) . . . . ?
P2 C21 C26 C25 178.09(18) . . . . ?
C24 C25 C26 C21 57.0(3) . . . . ?
C32 C27 C28 C29 4.2(4) . . . . ?
Si1 C27 C28 C29 -176.7(2) . . . . ?
C27 C28 C29 C30 -1.5(5) . . . . ?
C28 C29 C30 C31 -2.7(4) . . . . ?
C28 C29 C30 C33 177.8(3) . . . . ?
C29 C30 C31 C32 3.9(4) . . . . ?
C33 C30 C31 C32 -176.6(2) . . . . ?
C28 C27 C32 C31 -3.0(4) . . . . ?
Si1 C27 C32 C31 177.87(19) . . . . ?
C30 C31 C32 C27 -0.9(4) . . . . ?
C31 C30 C33 F3 70.8(4) . . . . ?
C29 C30 C33 F3 -109.7(4) . . . . ?
C31 C30 C33 F2 -165.5(3) . . . . ?
C29 C30 C33 F2 14.1(4) . . . . ?
C31 C30 C33 F1 -47.9(4) . . . . ?
C29 C30 C33 F1 131.6(3) . . . . ?
C39 C34 C35 C36 -1.2(4) . . . . ?
Si1 C34 C35 C36 177.20(19) . . . . ?
C34 C35 C36 C37 1.2(4) . . . . ?
C35 C36 C37 C38 -0.2(4) . . . . ?
C35 C36 C37 C40 175.7(2) . . . . ?
C36 C37 C38 C39 -0.8(4) . . . . ?
C40 C37 C38 C39 -176.7(2) . . . . ?
C37 C38 C39 C34 0.7(4) . . . . ?
C35 C34 C39 C38 0.2(3) . . . . ?
Si1 C34 C39 C38 -178.20(18) . . . . ?
C36 C37 C40 F5 152.9(3) . . . . ?
C38 C37 C40 F5 -31.2(3) . . . . ?
C36 C37 C40 F6 -83.6(3) . . . . ?
C38 C37 C40 F6 92.3(3) . . . . ?
C36 C37 C40 F4 33.9(3) . . . . ?
C38 C37 C40 F4 -150.2(2) . . . . ?
C46 C41 C42 C43 -1.9(3) . . . . ?
Si1 C41 C42 C43 171.62(17) . . . . ?
C41 C42 C43 C44 0.5(3) . . . . ?
C42 C43 C44 C45 1.6(3) . . . . ?
C42 C43 C44 C47 -178.1(2) . . . . ?
C43 C44 C45 C46 -2.0(4) . . . . ?
C47 C44 C45 C46 177.6(2) . . . . ?
C44 C45 C46 C41 0.5(4) . . . . ?
C42 C41 C46 C45 1.4(3) . . . . ?
Si1 C41 C46 C45 -171.70(18) . . . . ?
C43 C44 C47 F8A -28.3(14) . . . . ?
C45 C44 C47 F8A 152.0(13) . . . . ?
C43 C44 C47 F7B 145.3(8) . . . . ?
C45 C44 C47 F7B -34.3(9) . . . . ?
C43 C44 C47 F9B -69.3(8) . . . . ?
C45 C44 C47 F9B 111.0(8) . . . . ?
C43 C44 C47 F7A 112.1(8) . . . . ?
C45 C44 C47 F7A -67.6(8) . . . . ?
C43 C44 C47 F7 128.4(8) . . . . ?
C45 C44 C47 F7 -51.3(9) . . . . ?
C43 C44 C47 F8 7.1(12) . . . . ?
C45 C44 C47 F8 -172.5(11) . . . . ?
C43 C44 C47 F9 -115.4(8) . . . . ?
C45 C44 C47 F9 65.0(8) . . . . ?
C43 C44 C47 F8B 35.4(5) . . . . ?
C45 C44 C47 F8B -144.2(5) . . . . ?
C43 C44 C47 F9A -143.1(5) . . . . ?
C45 C44 C47 F9A 37.3(5) . . . . ?
F8A C47 F8 F8B -170(5) . . . . ?
F7B C47 F8 F8B -63(2) . . . . ?
F9B C47 F8 F8B -174(2) . . . . ?
F7A C47 F8 F8B -38(2) . . . . ?
F7 C47 F8 F8B -46(2) . . . . ?
F9 C47 F8 F8B -155.1(19) . . . . ?
C44 C47 F8 F8B 79(2) . . . . ?
F9A C47 F8 F8B -139.8(18) . . . . ?
F7B C47 F8 F8A 107(3) . . . . ?
F9B C47 F8 F8A -4(3) . . . . ?
F7A C47 F8 F8A 132(3) . . . . ?
F7 C47 F8 F8A 124(3) . . . . ?
F9 C47 F8 F8A 15(3) . . . . ?
F8B C47 F8 F8A 170(5) . . . . ?
C44 C47 F8 F8A -111(3) . . . . ?
F9A C47 F8 F8A 30(4) . . . . ?
F8A C47 F8 F9B 4(3) . . . . ?
F7B C47 F8 F9B 110.9(11) . . . . ?
F7A C47 F8 F9B 136.2(13) . . . . ?
F7 C47 F8 F9B 128.3(11) . . . . ?
F9 C47 F8 F9B 18.7(11) . . . . ?
F8B C47 F8 F9B 174(2) . . . . ?
C44 C47 F8 F9B -107.6(9) . . . . ?
F9A C47 F8 F9B 34.0(16) . . . . ?
F8A C47 F9 F9A 161(2) . . . . ?
F7B C47 F9 F9A 41(2) . . . . ?
F9B C47 F9 F9A 180(2) . . . . ?
F7A C47 F9 F9A 50(2) . . . . ?
F7 C47 F9 F9A 41(2) . . . . ?
F8 C47 F9 F9A 153(2) . . . . ?
F8B C47 F9 F9A 138.1(18) . . . . ?
C44 C47 F9 F9A -81(2) . . . . ?
F8A C47 F9 F9B -18.5(19) . . . . ?
F7B C47 F9 F9B -139.2(15) . . . . ?
F7A C47 F9 F9B -129.5(15) . . . . ?
F7 C47 F9 F9B -139.1(14) . . . . ?
F8 C47 F9 F9B -26.6(16) . . . . ?
F8B C47 F9 F9B -41.8(16) . . . . ?
C44 C47 F9 F9B 99.3(13) . . . . ?
F9A C47 F9 F9B -180(2) . . . . ?
F7B C47 F9 F8A -120.7(15) . . . . ?
F9B C47 F9 F8A 18.5(19) . . . . ?
F7A C47 F9 F8A -111.1(14) . . . . ?
F7 C47 F9 F8A -120.6(14) . . . . ?
F8 C47 F9 F8A -8.1(19) . . . . ?
F8B C47 F9 F8A -23.3(16) . . . . ?
C44 C47 F9 F8A 117.8(12) . . . . ?
F9A C47 F9 F8A -161(2) . . . . ?
F8A C47 F9 F7B 120.7(15) . . . . ?
F9B C47 F9 F7B 139.2(15) . . . . ?
F7A C47 F9 F7B 9.6(15) . . . . ?
F7 C47 F9 F7B 0.1(13) . . . . ?
F8 C47 F9 F7B 112.6(13) . . . . ?
F8B C47 F9 F7B 97.4(11) . . . . ?
C44 C47 F9 F7B -121.5(10) . . . . ?
F9A C47 F9 F7B -41(2) . . . . ?
F8A C47 F7A F7B -104(3) . . . . ?
F9B C47 F7A F7B -65(3) . . . . ?
F7 C47 F7A F7B 20(5) . . . . ?
F8 C47 F7A F7B -130(3) . . . . ?
F9 C47 F7A F7B -19(3) . . . . ?
F8B C47 F7A F7B -147(3) . . . . ?
C44 C47 F7A F7B 113(3) . . . . ?
F9A C47 F7A F7B 1(3) . . . . ?
F8A C47 F7A F8B 43.2(15) . . . . ?
F7B C47 F7A F8B 147(3) . . . . ?
F9B C47 F7A F8B 82.1(13) . . . . ?
F7 C47 F7A F8B 167(6) . . . . ?
F8 C47 F7A F8B 17.4(11) . . . . ?
F9 C47 F7A F8B 128.2(8) . . . . ?
C44 C47 F7A F8B -99.7(6) . . . . ?
F9A C47 F7A F8B 148.7(7) . . . . ?
F8B F8 F8A F9B 38(20) . . . . ?
C47 F8 F8A F9B 12(9) . . . . ?
F8B F8 F8A C47 26(11) . . . . ?
F9B F8 F8A C47 -12(9) . . . . ?
C47 F8 F8A F8B -26(11) . . . . ?
F9B F8 F8A F8B -38(20) . . . . ?
F8B F8 F8A F9 10(14) . . . . ?
C47 F8 F8A F9 -16(3) . . . . ?
F9B F8 F8A F9 -29(6) . . . . ?
F7B C47 F8A F8 -89(3) . . . . ?
F9B C47 F8A F8 174(5) . . . . ?
F7A C47 F8A F8 -54(3) . . . . ?
F7 C47 F8A F8 -69(3) . . . . ?
F9 C47 F8A F8 -165(3) . . . . ?
F8B C47 F8A F8 -5(3) . . . . ?
C44 C47 F8A F8 85(3) . . . . ?
F9A C47 F8A F8 -157(3) . . . . ?
F7B C47 F8A F9B 97(2) . . . . ?
F7A C47 F8A F9B 132(2) . . . . ?
F7 C47 F8A F9B 117(2) . . . . ?
F8 C47 F8A F9B -174(5) . . . . ?
F9 C47 F8A F9B 21(2) . . . . ?
F8B C47 F8A F9B -179(3) . . . . ?
C44 C47 F8A F9B -89(2) . . . . ?
F9A C47 F8A F9B 29(3) . . . . ?
F7B C47 F8A F8B -83.3(13) . . . . ?
F9B C47 F8A F8B 179(3) . . . . ?
F7A C47 F8A F8B -48.9(15) . . . . ?
F7 C47 F8A F8B -63.8(16) . . . . ?
F8 C47 F8A F8B 5(3) . . . . ?
F9 C47 F8A F8B -160.0(13) . . . . ?
C44 C47 F8A F8B 90.5(12) . . . . ?
F9A C47 F8A F8B -151.6(10) . . . . ?
F7B C47 F8A F9 76.7(12) . . . . ?
F9B C47 F8A F9 -21(2) . . . . ?
F7A C47 F8A F9 111.1(12) . . . . ?
F7 C47 F8A F9 96.2(12) . . . . ?
F8 C47 F8A F9 165(3) . . . . ?
F8B C47 F8A F9 160.0(13) . . . . ?
C44 C47 F8A F9 -109.5(8) . . . . ?
F9A C47 F8A F9 8.4(11) . . . . ?
F9A F9 F8A F8 -8(7) . . . . ?
F9B F9 F8A F8 150(8) . . . . ?
C47 F9 F8A F8 19(4) . . . . ?
F7B F9 F8A F8 -19(5) . . . . ?
F9A F9 F8A F9B -157(5) . . . . ?
C47 F9 F8A F9B -130(4) . . . . ?
F7B F9 F8A F9B -169(4) . . . . ?
F9A F9 F8A C47 -27(3) . . . . ?
F9B F9 F8A C47 130(4) . . . . ?
F7B F9 F8A C47 -38.5(9) . . . . ?
F9A F9 F8A F8B -6(4) . . . . ?
F9B F9 F8A F8B 152(5) . . . . ?
C47 F9 F8A F8B 21.7(13) . . . . ?
F7B F9 F8A F8B -16.8(19) . . . . ?
F9B F9 F9A C47 0(5) . . . . ?
F8A F9 F9A C47 20(2) . . . . ?
F7B F9 F9A C47 33.5(13) . . . . ?
F9B F9 F9A F7B -33(6) . . . . ?
C47 F9 F9A F7B -33.5(13) . . . . ?
F8A F9 F9A F7B -13(3) . . . . ?
C47 F9 F9A F9B 0(5) . . . . ?
F8A F9 F9A F9B 20(4) . . . . ?
F7B F9 F9A F9B 33(6) . . . . ?
F8A C47 F9A F9 -18(2) . . . . ?
F7B C47 F9A F9 -134(2) . . . . ?
F9B C47 F9A F9 -0.1(17) . . . . ?
F7A C47 F9A F9 -135(2) . . . . ?
F7 C47 F9A F9 -140(2) . . . . ?
F8 C47 F9A F9 -34(3) . . . . ?
F8B C47 F9A F9 -68(2) . . . . ?
C44 C47 F9A F9 109.1(19) . . . . ?
F8A C47 F9A F7B 116.2(15) . . . . ?
F9B C47 F9A F7B 134.4(13) . . . . ?
F7A C47 F9A F7B -0.8(15) . . . . ?
F7 C47 F9A F7B -5.5(14) . . . . ?
F8 C47 F9A F7B 100.3(16) . . . . ?
F9 C47 F9A F7B 134(2) . . . . ?
F8B C47 F9A F7B 66.2(14) . . . . ?
C44 C47 F9A F7B -116.4(9) . . . . ?
F8A C47 F9A F9B -18.3(17) . . . . ?
F7B C47 F9A F9B -134.4(13) . . . . ?
F7A C47 F9A F9B -135.2(13) . . . . ?
F7 C47 F9A F9B -139.9(12) . . . . ?
F8 C47 F9A F9B -34.1(17) . . . . ?
F9 C47 F9A F9B 0.1(17) . . . . ?
F8B C47 F9A F9B -68.2(15) . . . . ?
C44 C47 F9A F9B 109.2(9) . . . . ?
F8B F7A F7B C47 -34(2) . . . . ?
C47 F7A F7B F9A -2(4) . . . . ?
F8B F7A F7B F9A -36(6) . . . . ?
C47 F7A F7B F9 16(2) . . . . ?
F8B F7A F7B F9 -18(5) . . . . ?
F8A C47 F7B F7A 92(3) . . . . ?
F9B C47 F7B F7A 134(2) . . . . ?
F7 C47 F7B F7A -17(4) . . . . ?
F8 C47 F7B F7A 56(3) . . . . ?
F9 C47 F7B F7A 163(3) . . . . ?
F8B C47 F7B F7A 31(3) . . . . ?
C44 C47 F7B F7A -82(3) . . . . ?
F9A C47 F7B F7A -178(3) . . . . ?
F8A C47 F7B F9A -89.8(14) . . . . ?
F9B C47 F7B F9A -48.0(13) . . . . ?
F7A C47 F7B F9A 178(3) . . . . ?
F7 C47 F7B F9A 161(5) . . . . ?
F8 C47 F7B F9A -125.3(12) . . . . ?
F9 C47 F7B F9A -18.8(9) . . . . ?
F8B C47 F7B F9A -150.2(8) . . . . ?
C44 C47 F7B F9A 96.4(7) . . . . ?
F8A C47 F7B F9 -71.0(14) . . . . ?
F9B C47 F7B F9 -29.2(10) . . . . ?
F7A C47 F7B F9 -163(3) . . . . ?
F7 C47 F7B F9 -180(4) . . . . ?
F8 C47 F7B F9 -106.5(10) . . . . ?
F8B C47 F7B F9 -131.4(7) . . . . ?
C44 C47 F7B F9 115.2(8) . . . . ?
F9A C47 F7B F9 18.8(9) . . . . ?
F9 F9A F7B F7A 43(5) . . . . ?
C47 F9A F7B F7A 3(5) . . . . ?
F9B F9A F7B F7A 35(5) . . . . ?
F9 F9A F7B C47 40.4(18) . . . . ?
F9B F9A F7B C47 32.6(9) . . . . ?
C47 F9A F7B F9 -40.4(18) . . . . ?
F9B F9A F7B F9 -7.9(15) . . . . ?
F9A F9 F7B F7A -149(4) . . . . ?
F9B F9 F7B F7A 17(4) . . . . ?
C47 F9 F7B F7A -20(3) . . . . ?
F8A F9 F7B F7A 22(4) . . . . ?
F9A F9 F7B C47 -129(2) . . . . ?
F9B F9 F7B C47 37.3(14) . . . . ?
F8A F9 F7B C47 41.6(10) . . . . ?
F9B F9 F7B F9A 166(3) . . . . ?
C47 F9 F7B F9A 129(2) . . . . ?
F8A F9 F7B F9A 171(2) . . . . ?
C47 F8 F8B F8A 24(10) . . . . ?
F9B F8 F8B F8A 15(8) . . . . ?
F8A F8 F8B C47 -24(10) . . . . ?
F9B F8 F8B C47 -8(3) . . . . ?
F8A F8 F8B F7A 5(12) . . . . ?
C47 F8 F8B F7A 29.1(16) . . . . ?
F9B F8 F8B F7A 21(5) . . . . ?
F9B F8A F8B F8 -152(15) . . . . ?
C47 F8A F8B F8 -153(12) . . . . ?
F9 F8A F8B F8 -172(12) . . . . ?
F8 F8A F8B C47 153(12) . . . . ?
F9B F8A F8B C47 1(5) . . . . ?
F9 F8A F8B C47 -19.0(12) . . . . ?
F8 F8A F8B F7A -175(11) . . . . ?
F9B F8A F8B F7A 33(5) . . . . ?
C47 F8A F8B F7A 32.4(10) . . . . ?
F9 F8A F8B F7A 13(2) . . . . ?
F8A C47 F8B F8 6(3) . . . . ?
F7B C47 F8B F8 124(2) . . . . ?
F9B C47 F8B F8 6(2) . . . . ?
F7A C47 F8B F8 140(2) . . . . ?
F7 C47 F8B F8 137(2) . . . . ?
F9 C47 F8B F8 32(3) . . . . ?
C44 C47 F8B F8 -111(2) . . . . ?
F9A C47 F8B F8 66(3) . . . . ?
F7B C47 F8B F8A 117.8(15) . . . . ?
F9B C47 F8B F8A -0.4(18) . . . . ?
F7A C47 F8B F8A 134.1(16) . . . . ?
F7 C47 F8B F8A 130.7(16) . . . . ?
F8 C47 F8B F8A -6(3) . . . . ?
F9 C47 F8B F8A 26.3(18) . . . . ?
C44 C47 F8B F8A -117.2(13) . . . . ?
F9A C47 F8B F8A 60.3(18) . . . . ?
F8A C47 F8B F7A -134.1(16) . . . . ?
F7B C47 F8B F7A -16.3(14) . . . . ?
F9B C47 F8B F7A -134.5(13) . . . . ?
F7 C47 F8B F7A -3.4(15) . . . . ?
F8 C47 F8B F7A -140(2) . . . . ?
F9 C47 F8B F7A -107.8(13) . . . . ?
C44 C47 F8B F7A 108.7(10) . . . . ?
F9A C47 F8B F7A -73.9(14) . . . . ?
F7B F7A F8B F8 3(4) . . . . ?
C47 F7A F8B F8 -35(2) . . . . ?
F7B F7A F8B F8A 4(4) . . . . ?
C47 F7A F8B F8A -34.1(12) . . . . ?
F7B F7A F8B C47 38(3) . . . . ?
F8 F8A F9B F9 -53(12) . . . . ?
C47 F8A F9B F9 -41(3) . . . . ?
F8B F8A F9B F9 -42(8) . . . . ?
F8 F8A F9B C47 -13(10) . . . . ?
F8B F8A F9B C47 -1(4) . . . . ?
F9 F8A F9B C47 41(3) . . . . ?
C47 F8A F9B F8 13(10) . . . . ?
F8B F8A F9B F8 12(6) . . . . ?
F9 F8A F9B F8 53(12) . . . . ?
F8 F8A F9B F9A -46(12) . . . . ?
C47 F8A F9B F9A -33(2) . . . . ?
F8B F8A F9B F9A -34(7) . . . . ?
F9 F8A F9B F9A 7.9(15) . . . . ?
F9A F9 F9B F8A 39(8) . . . . ?
C47 F9 F9B F8A 40(3) . . . . ?
F7B F9 F9B F8A 11(4) . . . . ?
F9A F9 F9B C47 0(6) . . . . ?
F8A F9 F9B C47 -40(3) . . . . ?
F7B F9 F9B C47 -28.3(9) . . . . ?
F9A F9 F9B F8 27(7) . . . . ?
C47 F9 F9B F8 27.1(14) . . . . ?
F8A F9 F9B F8 -13(3) . . . . ?
F7B F9 F9B F8 -1(2) . . . . ?
C47 F9 F9B F9A 0(6) . . . . ?
F8A F9 F9B F9A -39(8) . . . . ?
F7B F9 F9B F9A -28(5) . . . . ?
F7B C47 F9B F8A -103(2) . . . . ?
F7A C47 F9B F8A -71(3) . . . . ?
F7 C47 F9B F8A -91(2) . . . . ?
F8 C47 F9B F8A 3(3) . . . . ?
F9 C47 F9B F8A -149(3) . . . . ?
F8B C47 F9B F8A 1(3) . . . . ?
C44 C47 F9B F8A 111(2) . . . . ?
F9A C47 F9B F8A -149(3) . . . . ?
F8A C47 F9B F9 149(3) . . . . ?
F7B C47 F9B F9 46.7(16) . . . . ?
F7A C47 F9B F9 78.0(17) . . . . ?
F7 C47 F9B F9 57.9(17) . . . . ?
F8 C47 F9B F9 152.7(16) . . . . ?
F8B C47 F9B F9 149.8(12) . . . . ?
C44 C47 F9B F9 -100.1(12) . . . . ?
F9A C47 F9B F9 0.0(12) . . . . ?
F8A C47 F9B F8 -3(3) . . . . ?
F7B C47 F9B F8 -106.0(14) . . . . ?
F7A C47 F9B F8 -74.7(16) . . . . ?
F7 C47 F9B F8 -94.8(14) . . . . ?
F9 C47 F9B F8 -152.7(16) . . . . ?
F8B C47 F9B F8 -2.9(12) . . . . ?
C44 C47 F9B F8 107.1(9) . . . . ?
F9A C47 F9B F8 -152.7(13) . . . . ?
F8A C47 F9B F9A 149(3) . . . . ?
F7B C47 F9B F9A 46.7(14) . . . . ?
F7A C47 F9B F9A 78.0(14) . . . . ?
F7 C47 F9B F9A 57.9(15) . . . . ?
F8 C47 F9B F9A 152.7(13) . . . . ?
F9 C47 F9B F9A 0.0(12) . . . . ?
F8B C47 F9B F9A 149.8(9) . . . . ?
C44 C47 F9B F9A -100.2(8) . . . . ?
F8B F8 F9B F8A -155(13) . . . . ?
C47 F8 F9B F8A -166(11) . . . . ?
F8B F8 F9B F9 -21(5) . . . . ?
F8A F8 F9B F9 134(11) . . . . ?
C47 F8 F9B F9 -31.5(16) . . . . ?
F8B F8 F9B C47 10(4) . . . . ?
F8A F8 F9B C47 166(11) . . . . ?
F8B F8 F9B F9A -16(5) . . . . ?
F8A F8 F9B F9A 139(11) . . . . ?
C47 F8 F9B F9A -26.4(11) . . . . ?
F9 F9A F9B F8A -145(7) . . . . ?
C47 F9A F9B F8A 35(3) . . . . ?
F7B F9A F9B F8A 2(3) . . . . ?
C47 F9A F9B F9 -180(100) . . . . ?
F7B F9A F9B F9 147(6) . . . . ?
F9 F9A F9B C47 180(100) . . . . ?
F7B F9A F9B C47 -32.9(9) . . . . ?
F9 F9A F9B F8 -156(6) . . . . ?
C47 F9A F9B F8 24.7(11) . . . . ?
F7B F9A F9B F8 -8.2(16) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2A F8A 0.99 2.53 3.448(18) 154.5 7_565
C2 H2A F9B 0.99 2.60 3.479(14) 147.8 7_565
C22 H22A F1 0.99 2.61 3.483(3) 146.6 6_665
C22 H22B F9B 0.99 2.55 3.244(12) 126.8 7_565

_refine_diff_density_max         0.511
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.055



