#------------------------------------------------------------------------------
#$Date: 2023-07-15 00:54:03 +0300 (Sat, 15 Jul 2023) $
#$Revision: 285212 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/18/7131894.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_7131894
loop_
_publ_author_name
'Sekiguchi, Jueri'
'Kazama, Yugo'
'Ishii, Akihiko'
'Nakata, Norio'
_publ_section_title
;
 Synthesis of a homoleptic tris(silylene)-palladium(0) complex and a
 silylyne-bridged tetranuclear palladium cluster
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC02543H
_journal_year                    2023
_chemical_formula_moiety         'C60 H84 Cl3 N6 P3 Pd Si3'
_chemical_formula_sum            'C60 H84 Cl3 N6 P3 Pd Si3'
_chemical_formula_weight         1279.26
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2023-05-01 deposited with the CCDC.	2023-07-12 downloaded from the CCDC.
;
_cell_angle_alpha                108.610(3)
_cell_angle_beta                 104.396(3)
_cell_angle_gamma                100.007(3)
_cell_formula_units_Z            2
_cell_length_a                   15.160(3)
_cell_length_b                   15.382(3)
_cell_length_c                   15.980(3)
_cell_measurement_reflns_used    2200
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.20
_cell_measurement_theta_min      2.20
_cell_volume                     3288.1(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1778
_diffrn_reflns_av_unetI/netI     0.2205
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16599
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.422
_diffrn_reflns_theta_min         1.443
_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_exptl_absorpt_coefficient_mu    0.573
_exptl_absorpt_correction_T_max  0.9775
_exptl_absorpt_correction_T_min  0.9397
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.804
_refine_diff_density_min         -1.375
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         11884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.829
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0709
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0065P)²+0.0001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1495
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6523
_reflns_number_total             11884
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc02543h2.cif
_cod_data_source_block           534
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        3288.2(11)
_cod_database_code               7131894
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.940
_shelx_estimated_absorpt_t_max   0.977
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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 0.28443(3) 0.75968(3) 0.26722(4) 0.01822(14) Uani 1 1 d . . . . .
P1 P 0.44274(11) 0.53681(11) 0.27647(12) 0.0180(4) Uani 1 1 d . . . . .
Cl1 Cl 0.52673(11) 0.74610(12) 0.21637(13) 0.0291(4) Uani 1 1 d . . . . .
P3 P 0.28756(12) 0.90922(12) 0.06444(12) 0.0197(4) Uani 1 1 d . . . . .
P2 P 0.05623(11) 0.76864(12) 0.40821(13) 0.0222(4) Uani 1 1 d . . . . .
Cl2 Cl 0.27723(12) 0.71020(13) 0.49646(13) 0.0327(4) Uani 1 1 d . . . . .
Si1 Si 0.40037(12) 0.68268(13) 0.25016(13) 0.0192(4) Uani 1 1 d . . . . .
Si3 Si 0.25959(13) 0.87049(13) 0.20170(13) 0.0210(4) Uani 1 1 d . . . . .
Cl3 Cl 0.19937(13) 0.99167(13) 0.26380(13) 0.0344(5) Uani 1 1 d . . . . .
Si2 Si 0.21000(12) 0.74881(13) 0.37440(14) 0.0211(4) Uani 1 1 d . . . . .
N2 N 0.4647(3) 0.6472(3) 0.3433(4) 0.0169(12) Uani 1 1 d . . . . .
N1 N 0.3909(3) 0.5566(3) 0.1855(4) 0.0170(12) Uani 1 1 d . . . . .
N4 N 0.1601(3) 0.8400(4) 0.4399(4) 0.0205(13) Uani 1 1 d . . . . .
N5 N 0.1989(3) 0.8467(3) 0.0771(4) 0.0214(13) Uani 1 1 d . . . . .
N3 N 0.0881(4) 0.6806(4) 0.3492(4) 0.0240(13) Uani 1 1 d . . . . .
N6 N 0.3512(3) 0.9398(3) 0.1719(4) 0.0192(12) Uani 1 1 d . . . . .
C37 C 0.2087(4) 0.9361(4) 0.5136(5) 0.0212(15) Uani 1 1 d . . . . .
C10 C 0.3556(4) 0.3527(4) 0.2594(5) 0.0261(17) Uani 1 1 d . . . . .
H14 H 0.391429 0.331752 0.219787 0.031 Uiso 1 1 calc R U . . .
C1 C 0.3314(5) 0.4903(4) 0.0879(5) 0.0235(16) Uani 1 1 d . . . . .
C51 C 0.2623(4) 1.0065(4) 0.0335(4) 0.0231(16) Uani 1 1 d . . . . .
C30 C -0.1333(4) 0.7619(5) 0.3338(5) 0.0297(17) Uani 1 1 d . . . . .
H42 H -0.147754 0.725311 0.368987 0.036 Uiso 1 1 calc R U . . .
C17 C 0.5327(4) 0.7081(4) 0.4383(4) 0.0191(15) Uani 1 1 d . . . . .
C18 C 0.5190(5) 0.6615(4) 0.5078(5) 0.0269(17) Uani 1 1 d . . . . .
H20 H 0.453561 0.652999 0.508252 0.040 Uiso 1 1 calc R U . . .
H21 H 0.562529 0.702611 0.570498 0.040 Uiso 1 1 calc R U . . .
H22 H 0.532187 0.599253 0.489038 0.040 Uiso 1 1 calc R U . . .
C5 C 0.3672(4) 0.4517(4) 0.3040(5) 0.0227(16) Uani 1 1 d . . . . .
C31 C 0.0232(5) 0.7565(5) 0.5054(5) 0.0303(18) Uani 1 1 d . . . . .
C25 C -0.0377(4) 0.7983(4) 0.3430(5) 0.0236(16) Uani 1 1 d . . . . .
C16 C 0.6051(4) 0.5241(4) 0.2297(5) 0.0225(16) Uani 1 1 d . . . . .
H19 H 0.584073 0.553670 0.187405 0.027 Uiso 1 1 calc R U . . .
C45 C 0.3390(5) 0.8436(4) -0.0164(5) 0.0275(17) Uani 1 1 d . . . . .
C36 C -0.0230(5) 0.8180(5) 0.5502(5) 0.038(2) Uani 1 1 d . . . . .
H47 H -0.046054 0.860136 0.523631 0.045 Uiso 1 1 calc R U . . .
C56 C 0.3217(5) 1.0592(5) 0.0018(5) 0.0299(18) Uani 1 1 d . . . . .
H75 H 0.374218 1.038861 -0.011184 0.036 Uiso 1 1 calc R U . . .
C11 C 0.5473(4) 0.4967(4) 0.2785(5) 0.0200(15) Uani 1 1 d . . . . .
C52 C 0.1857(5) 1.0379(5) 0.0508(5) 0.0310(18) Uani 1 1 d . . . . .
H71 H 0.144776 1.003464 0.072821 0.037 Uiso 1 1 calc R U . . .
C50 C 0.3214(5) 0.8405(5) -0.1077(5) 0.0339(19) Uani 1 1 d . . . . .
H70 H 0.281461 0.875446 -0.129426 0.041 Uiso 1 1 calc R U . . .
C6 C 0.3133(4) 0.4834(5) 0.3599(5) 0.0277(17) Uani 1 1 d . . . . .
H10 H 0.317779 0.549418 0.386255 0.033 Uiso 1 1 calc R U . . .
C59 C 0.4318(5) 1.1121(4) 0.2564(5) 0.0299(18) Uani 1 1 d . . . . .
H79 H 0.421893 1.128044 0.200662 0.045 Uiso 1 1 calc R U . . .
H80 H 0.489335 1.157257 0.305473 0.045 Uiso 1 1 calc R U . . .
H81 H 0.377281 1.115974 0.278497 0.045 Uiso 1 1 calc R U . . .
C9 C 0.2920(5) 0.2861(5) 0.2732(5) 0.0329(19) Uani 1 1 d . . . . .
H13 H 0.283248 0.219697 0.242583 0.040 Uiso 1 1 calc R U . . .
C26 C -0.0184(5) 0.8544(5) 0.2921(5) 0.0313(18) Uani 1 1 d . . . . .
H38 H 0.045257 0.879914 0.297089 0.038 Uiso 1 1 calc R U . . .
C19 C 0.6356(4) 0.7226(5) 0.4375(5) 0.0301(18) Uani 1 1 d . . . . .
H23 H 0.651179 0.661452 0.424129 0.045 Uiso 1 1 calc R U . . .
H24 H 0.678634 0.768361 0.498623 0.045 Uiso 1 1 calc R U . . .
H25 H 0.642326 0.747162 0.389222 0.045 Uiso 1 1 calc R U . . .
C4 C 0.3714(5) 0.4096(5) 0.0516(5) 0.0372(19) Uani 1 1 d . . . . .
H7 H 0.435695 0.434789 0.052447 0.056 Uiso 1 1 calc R U . . .
H8 H 0.331419 0.368768 -0.012502 0.056 Uiso 1 1 calc R U . . .
H9 H 0.373295 0.372154 0.091173 0.056 Uiso 1 1 calc R U . . .
C60 C 0.5184(4) 0.9991(5) 0.1836(5) 0.0321(18) Uani 1 1 d . . . . .
H82 H 0.522308 0.933093 0.165432 0.048 Uiso 1 1 calc R U . . .
H83 H 0.579918 1.042374 0.226671 0.048 Uiso 1 1 calc R U . . .
H84 H 0.501030 1.014554 0.127793 0.048 Uiso 1 1 calc R U . . .
C12 C 0.5806(5) 0.4554(4) 0.3413(5) 0.0272(17) Uani 1 1 d . . . . .
H15 H 0.541699 0.436925 0.374479 0.033 Uiso 1 1 calc R U . . .
C20 C 0.5109(5) 0.8035(4) 0.4661(5) 0.0333(18) Uani 1 1 d . . . . .
H26 H 0.521287 0.833750 0.422615 0.050 Uiso 1 1 calc R U . . .
H27 H 0.552631 0.844580 0.529555 0.050 Uiso 1 1 calc R U . . .
H28 H 0.444737 0.793933 0.464236 0.050 Uiso 1 1 calc R U . . .
C41 C 0.1132(5) 0.7704(5) 0.0128(5) 0.0278(17) Uani 1 1 d . . . . .
C40 C 0.1483(5) 1.0038(5) 0.5050(5) 0.0357(19) Uani 1 1 d . . . . .
H54 H 0.134493 1.005318 0.442286 0.054 Uiso 1 1 calc R U . . .
H55 H 0.182675 1.068019 0.551608 0.054 Uiso 1 1 calc R U . . .
H56 H 0.088860 0.981846 0.515455 0.054 Uiso 1 1 calc R U . . .
C46 C 0.3936(5) 0.7900(4) 0.0129(5) 0.0292(17) Uani 1 1 d . . . . .
H66 H 0.403356 0.789586 0.073816 0.035 Uiso 1 1 calc R U . . .
C38 C 0.3003(4) 0.9716(5) 0.4963(5) 0.0325(18) Uani 1 1 d . . . . .
H48 H 0.340439 0.928852 0.502051 0.049 Uiso 1 1 calc R U . . .
H49 H 0.333902 1.036199 0.542356 0.049 Uiso 1 1 calc R U . . .
H50 H 0.285354 0.972410 0.433311 0.049 Uiso 1 1 calc R U . . .
C15 C 0.6942(5) 0.5069(4) 0.2447(5) 0.0302(18) Uani 1 1 d . . . . .
H18 H 0.733234 0.523137 0.210696 0.036 Uiso 1 1 calc R U . . .
C14 C 0.7262(5) 0.4671(5) 0.3075(5) 0.0352(19) Uani 1 1 d . . . . .
H17 H 0.787626 0.457443 0.317693 0.042 Uiso 1 1 calc R U . . .
C57 C 0.4425(4) 1.0105(4) 0.2320(5) 0.0258(17) Uani 1 1 d . . . . .
C29 C -0.2077(5) 0.7787(5) 0.2737(6) 0.041(2) Uani 1 1 d . . . . .
H41 H -0.271796 0.750808 0.265594 0.049 Uiso 1 1 calc R U . . .
C8 C 0.2423(5) 0.3183(5) 0.3319(6) 0.040(2) Uani 1 1 d . . . . .
H12 H 0.199834 0.273446 0.342984 0.047 Uiso 1 1 calc R U . . .
C55 C 0.3052(5) 1.1399(5) -0.0107(5) 0.0342(19) Uani 1 1 d . . . . .
H74 H 0.347458 1.176392 -0.029881 0.041 Uiso 1 1 calc R U . . .
C21 C 0.0330(5) 0.5876(5) 0.2686(5) 0.0320(18) Uani 1 1 d . . . . .
C13 C 0.6702(5) 0.4409(5) 0.3561(5) 0.0350(19) Uani 1 1 d . . . . .
H16 H 0.692664 0.413088 0.399421 0.042 Uiso 1 1 calc R U . . .
C39 C 0.2316(5) 0.9340(5) 0.6101(5) 0.0355(19) Uani 1 1 d . . . . .
H51 H 0.172729 0.915995 0.623077 0.053 Uiso 1 1 calc R U . . .
H52 H 0.269739 0.997395 0.656167 0.053 Uiso 1 1 calc R U . . .
H53 H 0.267443 0.887350 0.613871 0.053 Uiso 1 1 calc R U . . .
C2 C 0.3319(5) 0.5488(5) 0.0271(5) 0.0373(19) Uani 1 1 d . . . . .
H1 H 0.309025 0.604270 0.051974 0.056 Uiso 1 1 calc R U . . .
H2 H 0.290413 0.509400 -0.036897 0.056 Uiso 1 1 calc R U . . .
H3 H 0.396576 0.570569 0.026950 0.056 Uiso 1 1 calc R U . . .
C44 C 0.0796(5) 0.7829(5) -0.0808(5) 0.042(2) Uani 1 1 d . . . . .
H63 H 0.068546 0.845961 -0.069391 0.064 Uiso 1 1 calc R U . . .
H64 H 0.020545 0.733400 -0.121378 0.064 Uiso 1 1 calc R U . . .
H65 H 0.128192 0.777324 -0.111220 0.064 Uiso 1 1 calc R U . . .
C53 C 0.1679(5) 1.1176(5) 0.0370(6) 0.039(2) Uani 1 1 d . . . . .
H72 H 0.115167 1.137916 0.049482 0.047 Uiso 1 1 calc R U . . .
C42 C 0.0363(5) 0.7791(5) 0.0588(5) 0.039(2) Uani 1 1 d . . . . .
H57 H 0.057965 0.774170 0.119817 0.058 Uiso 1 1 calc R U . . .
H58 H -0.021641 0.727814 0.019010 0.058 Uiso 1 1 calc R U . . .
H59 H 0.023304 0.841033 0.067200 0.058 Uiso 1 1 calc R U . . .
C58 C 0.4726(5) 0.9912(5) 0.3215(5) 0.0353(19) Uani 1 1 d . . . . .
H76 H 0.421440 0.991136 0.348840 0.053 Uiso 1 1 calc R U . . .
H77 H 0.529695 1.041138 0.366163 0.053 Uiso 1 1 calc R U . . .
H78 H 0.485932 0.928963 0.306917 0.053 Uiso 1 1 calc R U . . .
C49 C 0.3623(6) 0.7863(5) -0.1667(6) 0.049(2) Uani 1 1 d . . . . .
H69 H 0.350458 0.783411 -0.228934 0.059 Uiso 1 1 calc R U . . .
C23 C 0.0951(5) 0.5197(5) 0.2630(6) 0.043(2) Uani 1 1 d . . . . .
H32 H 0.155185 0.549764 0.258229 0.064 Uiso 1 1 calc R U . . .
H33 H 0.062575 0.460724 0.207945 0.064 Uiso 1 1 calc R U . . .
H34 H 0.107603 0.504849 0.319383 0.064 Uiso 1 1 calc R U . . .
C3 C 0.2297(5) 0.4536(5) 0.0858(5) 0.039(2) Uani 1 1 d . . . . .
H4 H 0.229673 0.416484 0.125547 0.058 Uiso 1 1 calc R U . . .
H5 H 0.189860 0.413014 0.021581 0.058 Uiso 1 1 calc R U . . .
H6 H 0.204748 0.507889 0.109041 0.058 Uiso 1 1 calc R U . . .
C7 C 0.2530(5) 0.4173(5) 0.3765(6) 0.039(2) Uani 1 1 d . . . . .
H11 H 0.218656 0.438085 0.417804 0.047 Uiso 1 1 calc R U . . .
C27 C -0.0924(6) 0.8733(6) 0.2336(6) 0.048(2) Uani 1 1 d . . . . .
H39 H -0.079278 0.911012 0.199005 0.057 Uiso 1 1 calc R U . . .
C54 C 0.2265(6) 1.1681(5) 0.0048(5) 0.038(2) Uani 1 1 d . . . . .
H73 H 0.213171 1.222074 -0.006766 0.046 Uiso 1 1 calc R U . . .
C47 C 0.4346(5) 0.7366(5) -0.0454(6) 0.042(2) Uani 1 1 d . . . . .
H67 H 0.472626 0.699763 -0.024604 0.050 Uiso 1 1 calc R U . . .
C28 C -0.1863(5) 0.8352(6) 0.2274(6) 0.045(2) Uani 1 1 d . . . . .
H40 H -0.236229 0.849632 0.189680 0.054 Uiso 1 1 calc R U . . .
C24 C -0.0534(5) 0.5433(5) 0.2858(7) 0.052(3) Uani 1 1 d . . . . .
H35 H -0.034379 0.531216 0.343388 0.078 Uiso 1 1 calc R U . . .
H36 H -0.088770 0.482973 0.233236 0.078 Uiso 1 1 calc R U . . .
H37 H -0.093703 0.586850 0.292117 0.078 Uiso 1 1 calc R U . . .
C48 C 0.4201(6) 0.7370(5) -0.1333(6) 0.042(2) Uani 1 1 d . . . . .
H68 H 0.450749 0.702354 -0.172122 0.050 Uiso 1 1 calc R U . . .
C43 C 0.1318(5) 0.6737(5) -0.0039(6) 0.046(2) Uani 1 1 d . . . . .
H60 H 0.183690 0.670275 -0.029978 0.069 Uiso 1 1 calc R U . . .
H61 H 0.074452 0.623578 -0.047801 0.069 Uiso 1 1 calc R U . . .
H62 H 0.149159 0.664560 0.055442 0.069 Uiso 1 1 calc R U . . .
C32 C 0.0548(5) 0.6948(6) 0.5434(6) 0.049(2) Uani 1 1 d . . . . .
H43 H 0.084463 0.650825 0.512941 0.059 Uiso 1 1 calc R U . . .
C35 C -0.0353(5) 0.8181(6) 0.6332(6) 0.052(2) Uani 1 1 d . . . . .
H46 H -0.067255 0.859846 0.663105 0.063 Uiso 1 1 calc R U . . .
C34 C -0.0019(6) 0.7587(8) 0.6719(7) 0.075(3) Uani 1 1 d . . . . .
H45 H -0.009529 0.759731 0.729359 0.090 Uiso 1 1 calc R U . . .
C33 C 0.0421(6) 0.6983(7) 0.6289(7) 0.069(3) Uani 1 1 d . . . . .
H44 H 0.065163 0.657076 0.656738 0.083 Uiso 1 1 calc R U . . .
C22 C 0.0067(7) 0.6049(5) 0.1767(6) 0.067(3) Uani 1 1 d . . . . .
H29 H -0.040475 0.641194 0.176773 0.100 Uiso 1 1 calc R U . . .
H30 H -0.019734 0.543490 0.123641 0.100 Uiso 1 1 calc R U . . .
H31 H 0.063483 0.641129 0.171262 0.100 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
Si3 Pd1 Si2 117.49(7) . . ?
Si3 Pd1 Si1 121.90(7) . . ?
Si2 Pd1 Si1 119.58(7) . . ?
N2 P1 N1 91.5(3) . . ?
N2 P1 C11 113.3(3) . . ?
N1 P1 C11 117.9(3) . . ?
N2 P1 C5 115.1(3) . . ?
N1 P1 C5 114.8(3) . . ?
C11 P1 C5 104.5(3) . . ?
N2 P1 Si1 46.03(18) . . ?
N1 P1 Si1 45.62(18) . . ?
C11 P1 Si1 131.3(2) . . ?
C5 P1 Si1 124.2(2) . . ?
N5 P3 N6 92.5(3) . . ?
N5 P3 C51 113.2(3) . . ?
N6 P3 C51 114.5(3) . . ?
N5 P3 C45 115.5(3) . . ?
N6 P3 C45 112.5(3) . . ?
C51 P3 C45 108.2(3) . . ?
N5 P3 Si3 46.3(2) . . ?
N6 P3 Si3 46.15(18) . . ?
C51 P3 Si3 126.5(2) . . ?
C45 P3 Si3 125.2(2) . . ?
N4 P2 N3 91.5(3) . . ?
N4 P2 C25 116.0(3) . . ?
N3 P2 C25 115.4(3) . . ?
N4 P2 C31 112.8(3) . . ?
N3 P2 C31 115.4(3) . . ?
C25 P2 C31 105.8(3) . . ?
N4 P2 Si2 46.19(19) . . ?
N3 P2 Si2 45.31(18) . . ?
C25 P2 Si2 127.6(2) . . ?
C31 P2 Si2 126.5(2) . . ?
N1 Si1 N2 77.5(2) . . ?
N1 Si1 Cl1 96.56(17) . . ?
N2 Si1 Cl1 98.00(17) . . ?
N1 Si1 Pd1 130.68(17) . . ?
N2 Si1 Pd1 121.77(18) . . ?
Cl1 Si1 Pd1 121.19(9) . . ?
N1 Si1 P1 38.88(16) . . ?
N2 Si1 P1 38.75(16) . . ?
Cl1 Si1 P1 101.71(9) . . ?
Pd1 Si1 P1 136.73(8) . . ?
N6 Si3 N5 77.6(2) . . ?
N6 Si3 Cl3 97.37(18) . . ?
N5 Si3 Cl3 96.83(19) . . ?
N6 Si3 Pd1 123.95(18) . . ?
N5 Si3 Pd1 127.25(18) . . ?
Cl3 Si3 Pd1 122.53(10) . . ?
N6 Si3 P3 38.88(16) . . ?
N5 Si3 P3 38.71(15) . . ?
Cl3 Si3 P3 99.73(9) . . ?
Pd1 Si3 P3 137.70(9) . . ?
N3 Si2 N4 77.2(2) . . ?
N3 Si2 Cl2 96.53(19) . . ?
N4 Si2 Cl2 96.27(19) . . ?
N3 Si2 Pd1 126.9(2) . . ?
N4 Si2 Pd1 126.82(18) . . ?
Cl2 Si2 Pd1 121.63(9) . . ?
N3 Si2 P2 38.62(17) . . ?
N4 Si2 P2 38.64(15) . . ?
Cl2 Si2 P2 98.80(9) . . ?
Pd1 Si2 P2 139.57(9) . . ?
C17 N2 P1 133.4(4) . . ?
C17 N2 Si1 129.6(4) . . ?
P1 N2 Si1 95.2(3) . . ?
C1 N1 P1 131.9(4) . . ?
C1 N1 Si1 130.6(4) . . ?
P1 N1 Si1 95.5(3) . . ?
C37 N4 P2 133.0(4) . . ?
C37 N4 Si2 130.1(4) . . ?
P2 N4 Si2 95.2(3) . . ?
C41 N5 P3 134.7(5) . . ?
C41 N5 Si3 127.3(4) . . ?
P3 N5 Si3 95.0(3) . . ?
C21 N3 P2 132.6(4) . . ?
C21 N3 Si2 126.8(4) . . ?
P2 N3 Si2 96.1(3) . . ?
C57 N6 P3 133.7(4) . . ?
C57 N6 Si3 130.6(4) . . ?
P3 N6 Si3 95.0(2) . . ?
N4 C37 C39 112.1(5) . . ?
N4 C37 C40 110.1(5) . . ?
C39 C37 C40 110.1(6) . . ?
N4 C37 C38 106.6(5) . . ?
C39 C37 C38 109.5(5) . . ?
C40 C37 C38 108.3(5) . . ?
C9 C10 C5 120.5(7) . . ?
C9 C10 H14 119.7 . . ?
C5 C10 H14 119.7 . . ?
C4 C1 N1 111.9(6) . . ?
C4 C1 C2 108.4(6) . . ?
N1 C1 C2 106.5(5) . . ?
C4 C1 C3 111.0(5) . . ?
N1 C1 C3 109.2(5) . . ?
C2 C1 C3 109.6(6) . . ?
C52 C51 C56 117.9(6) . . ?
C52 C51 P3 118.6(5) . . ?
C56 C51 P3 123.2(5) . . ?
C29 C30 C25 121.6(7) . . ?
C29 C30 H42 119.2 . . ?
C25 C30 H42 119.2 . . ?
N2 C17 C20 107.2(5) . . ?
N2 C17 C18 109.7(5) . . ?
C20 C17 C18 109.6(5) . . ?
N2 C17 C19 110.7(5) . . ?
C20 C17 C19 109.5(5) . . ?
C18 C17 C19 110.0(5) . . ?
C17 C18 H20 109.5 . . ?
C17 C18 H21 109.5 . . ?
H20 C18 H21 109.5 . . ?
C17 C18 H22 109.5 . . ?
H20 C18 H22 109.5 . . ?
H21 C18 H22 109.5 . . ?
C6 C5 C10 120.4(6) . . ?
C6 C5 P1 119.6(5) . . ?
C10 C5 P1 119.5(5) . . ?
C32 C31 C36 119.4(7) . . ?
C32 C31 P2 119.4(6) . . ?
C36 C31 P2 120.6(5) . . ?
C26 C25 C30 117.8(6) . . ?
C26 C25 P2 119.3(5) . . ?
C30 C25 P2 122.8(5) . . ?
C15 C16 C11 118.4(6) . . ?
C15 C16 H19 120.8 . . ?
C11 C16 H19 120.8 . . ?
C46 C45 C50 119.4(7) . . ?
C46 C45 P3 116.9(6) . . ?
C50 C45 P3 123.6(6) . . ?
C35 C36 C31 120.3(8) . . ?
C35 C36 H47 119.8 . . ?
C31 C36 H47 119.8 . . ?
C55 C56 C51 121.0(7) . . ?
C55 C56 H75 119.5 . . ?
C51 C56 H75 119.5 . . ?
C12 C11 C16 119.5(6) . . ?
C12 C11 P1 120.3(5) . . ?
C16 C11 P1 119.0(5) . . ?
C53 C52 C51 121.5(7) . . ?
C53 C52 H71 119.3 . . ?
C51 C52 H71 119.3 . . ?
C49 C50 C45 120.0(7) . . ?
C49 C50 H70 120.0 . . ?
C45 C50 H70 120.0 . . ?
C7 C6 C5 118.9(7) . . ?
C7 C6 H10 120.5 . . ?
C5 C6 H10 120.5 . . ?
C57 C59 H79 109.5 . . ?
C57 C59 H80 109.5 . . ?
H79 C59 H80 109.5 . . ?
C57 C59 H81 109.5 . . ?
H79 C59 H81 109.5 . . ?
H80 C59 H81 109.5 . . ?
C8 C9 C10 118.6(7) . . ?
C8 C9 H13 120.7 . . ?
C10 C9 H13 120.7 . . ?
C25 C26 C27 120.8(7) . . ?
C25 C26 H38 119.6 . . ?
C27 C26 H38 119.6 . . ?
C17 C19 H23 109.5 . . ?
C17 C19 H24 109.5 . . ?
H23 C19 H24 109.5 . . ?
C17 C19 H25 109.5 . . ?
H23 C19 H25 109.5 . . ?
H24 C19 H25 109.5 . . ?
C1 C4 H7 109.5 . . ?
C1 C4 H8 109.5 . . ?
H7 C4 H8 109.5 . . ?
C1 C4 H9 109.5 . . ?
H7 C4 H9 109.5 . . ?
H8 C4 H9 109.5 . . ?
C57 C60 H82 109.5 . . ?
C57 C60 H83 109.5 . . ?
H82 C60 H83 109.5 . . ?
C57 C60 H84 109.5 . . ?
H82 C60 H84 109.5 . . ?
H83 C60 H84 109.5 . . ?
C13 C12 C11 120.6(6) . . ?
C13 C12 H15 119.7 . . ?
C11 C12 H15 119.7 . . ?
C17 C20 H26 109.5 . . ?
C17 C20 H27 109.5 . . ?
H26 C20 H27 109.5 . . ?
C17 C20 H28 109.5 . . ?
H26 C20 H28 109.5 . . ?
H27 C20 H28 109.5 . . ?
N5 C41 C43 110.4(5) . . ?
N5 C41 C42 106.9(6) . . ?
C43 C41 C42 110.2(6) . . ?
N5 C41 C44 110.8(5) . . ?
C43 C41 C44 110.0(6) . . ?
C42 C41 C44 108.6(6) . . ?
C37 C40 H54 109.5 . . ?
C37 C40 H55 109.5 . . ?
H54 C40 H55 109.5 . . ?
C37 C40 H56 109.5 . . ?
H54 C40 H56 109.5 . . ?
H55 C40 H56 109.5 . . ?
C45 C46 C47 120.5(8) . . ?
C45 C46 H66 119.7 . . ?
C47 C46 H66 119.7 . . ?
C37 C38 H48 109.5 . . ?
C37 C38 H49 109.5 . . ?
H48 C38 H49 109.5 . . ?
C37 C38 H50 109.5 . . ?
H48 C38 H50 109.5 . . ?
H49 C38 H50 109.5 . . ?
C14 C15 C16 121.2(6) . . ?
C14 C15 H18 119.4 . . ?
C16 C15 H18 119.4 . . ?
C15 C14 C13 120.5(6) . . ?
C15 C14 H17 119.8 . . ?
C13 C14 H17 119.8 . . ?
N6 C57 C58 107.1(5) . . ?
N6 C57 C59 110.6(5) . . ?
C58 C57 C59 109.4(6) . . ?
N6 C57 C60 110.4(5) . . ?
C58 C57 C60 109.1(6) . . ?
C59 C57 C60 110.1(5) . . ?
C28 C29 C30 118.9(7) . . ?
C28 C29 H41 120.6 . . ?
C30 C29 H41 120.6 . . ?
C9 C8 C7 121.4(7) . . ?
C9 C8 H12 119.3 . . ?
C7 C8 H12 119.3 . . ?
C56 C55 C54 119.9(7) . . ?
C56 C55 H74 120.1 . . ?
C54 C55 H74 120.1 . . ?
C24 C21 N3 109.9(6) . . ?
C24 C21 C23 107.7(5) . . ?
N3 C21 C23 108.2(6) . . ?
C24 C21 C22 111.4(7) . . ?
N3 C21 C22 109.9(5) . . ?
C23 C21 C22 109.6(7) . . ?
C14 C13 C12 119.7(7) . . ?
C14 C13 H16 120.2 . . ?
C12 C13 H16 120.2 . . ?
C37 C39 H51 109.5 . . ?
C37 C39 H52 109.5 . . ?
H51 C39 H52 109.5 . . ?
C37 C39 H53 109.5 . . ?
H51 C39 H53 109.5 . . ?
H52 C39 H53 109.5 . . ?
C1 C2 H1 109.5 . . ?
C1 C2 H2 109.5 . . ?
H1 C2 H2 109.5 . . ?
C1 C2 H3 109.5 . . ?
H1 C2 H3 109.5 . . ?
H2 C2 H3 109.5 . . ?
C41 C44 H63 109.5 . . ?
C41 C44 H64 109.5 . . ?
H63 C44 H64 109.5 . . ?
C41 C44 H65 109.5 . . ?
H63 C44 H65 109.5 . . ?
H64 C44 H65 109.5 . . ?
C52 C53 C54 119.9(7) . . ?
C52 C53 H72 120.1 . . ?
C54 C53 H72 120.1 . . ?
C41 C42 H57 109.5 . . ?
C41 C42 H58 109.5 . . ?
H57 C42 H58 109.5 . . ?
C41 C42 H59 109.5 . . ?
H57 C42 H59 109.5 . . ?
H58 C42 H59 109.5 . . ?
C57 C58 H76 109.5 . . ?
C57 C58 H77 109.5 . . ?
H76 C58 H77 109.5 . . ?
C57 C58 H78 109.5 . . ?
H76 C58 H78 109.5 . . ?
H77 C58 H78 109.5 . . ?
C48 C49 C50 118.7(8) . . ?
C48 C49 H69 120.6 . . ?
C50 C49 H69 120.6 . . ?
C21 C23 H32 109.5 . . ?
C21 C23 H33 109.5 . . ?
H32 C23 H33 109.5 . . ?
C21 C23 H34 109.5 . . ?
H32 C23 H34 109.5 . . ?
H33 C23 H34 109.5 . . ?
C1 C3 H4 109.5 . . ?
C1 C3 H5 109.5 . . ?
H4 C3 H5 109.5 . . ?
C1 C3 H6 109.5 . . ?
H4 C3 H6 109.5 . . ?
H5 C3 H6 109.5 . . ?
C6 C7 C8 120.0(7) . . ?
C6 C7 H11 120.0 . . ?
C8 C7 H11 120.0 . . ?
C28 C27 C26 118.8(7) . . ?
C28 C27 H39 120.6 . . ?
C26 C27 H39 120.6 . . ?
C53 C54 C55 119.9(7) . . ?
C53 C54 H73 120.1 . . ?
C55 C54 H73 120.1 . . ?
C48 C47 C46 119.6(8) . . ?
C48 C47 H67 120.2 . . ?
C46 C47 H67 120.2 . . ?
C29 C28 C27 122.1(7) . . ?
C29 C28 H40 119.0 . . ?
C27 C28 H40 119.0 . . ?
C21 C24 H35 109.5 . . ?
C21 C24 H36 109.5 . . ?
H35 C24 H36 109.5 . . ?
C21 C24 H37 109.5 . . ?
H35 C24 H37 109.5 . . ?
H36 C24 H37 109.5 . . ?
C47 C48 C49 121.5(8) . . ?
C47 C48 H68 119.2 . . ?
C49 C48 H68 119.2 . . ?
C41 C43 H60 109.5 . . ?
C41 C43 H61 109.5 . . ?
H60 C43 H61 109.5 . . ?
C41 C43 H62 109.5 . . ?
H60 C43 H62 109.5 . . ?
H61 C43 H62 109.5 . . ?
C31 C32 C33 118.4(8) . . ?
C31 C32 H43 120.8 . . ?
C33 C32 H43 120.8 . . ?
C34 C35 C36 120.1(9) . . ?
C34 C35 H46 119.9 . . ?
C36 C35 H46 119.9 . . ?
C33 C34 C35 120.1(9) . . ?
C33 C34 H45 119.9 . . ?
C35 C34 H45 119.9 . . ?
C34 C33 C32 121.5(8) . . ?
C34 C33 H44 119.2 . . ?
C32 C33 H44 119.2 . . ?
C21 C22 H29 109.5 . . ?
C21 C22 H30 109.5 . . ?
H29 C22 H30 109.5 . . ?
C21 C22 H31 109.5 . . ?
H29 C22 H31 109.5 . . ?
H30 C22 H31 109.5 . . ?
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 Si3 2.3042(19) . ?
Pd1 Si2 2.3050(19) . ?
Pd1 Si1 2.3069(19) . ?
P1 N2 1.614(5) . ?
P1 N1 1.619(5) . ?
P1 C11 1.794(6) . ?
P1 C5 1.821(6) . ?
P1 Si1 2.568(2) . ?
Cl1 Si1 2.261(2) . ?
P3 N5 1.607(5) . ?
P3 N6 1.613(5) . ?
P3 C51 1.791(7) . ?
P3 C45 1.799(7) . ?
P3 Si3 2.560(3) . ?
P2 N4 1.609(5) . ?
P2 N3 1.611(5) . ?
P2 C25 1.763(7) . ?
P2 C31 1.800(7) . ?
P2 Si2 2.567(2) . ?
Cl2 Si2 2.271(3) . ?
Si1 N1 1.844(5) . ?
Si1 N2 1.856(5) . ?
Si3 N6 1.853(5) . ?
Si3 N5 1.859(6) . ?
Si3 Cl3 2.270(3) . ?
Si2 N3 1.835(5) . ?
Si2 N4 1.860(5) . ?
N2 C17 1.491(8) . ?
N1 C1 1.501(8) . ?
N4 C37 1.482(8) . ?
N5 C41 1.468(8) . ?
N3 C21 1.509(8) . ?
N6 C57 1.473(7) . ?
C37 C39 1.506(9) . ?
C37 C40 1.517(8) . ?
C37 C38 1.526(8) . ?
C10 C9 1.391(8) . ?
C10 C5 1.416(8) . ?
C10 H14 0.9500 . ?
C1 C4 1.490(9) . ?
C1 C2 1.522(9) . ?
C1 C3 1.535(9) . ?
C51 C52 1.389(9) . ?
C51 C56 1.399(9) . ?
C30 C29 1.408(10) . ?
C30 C25 1.413(8) . ?
C30 H42 0.9500 . ?
C17 C20 1.511(8) . ?
C17 C18 1.537(8) . ?
C17 C19 1.540(8) . ?
C18 H20 0.9800 . ?
C18 H21 0.9800 . ?
C18 H22 0.9800 . ?
C5 C6 1.389(9) . ?
C31 C32 1.370(10) . ?
C31 C36 1.395(10) . ?
C25 C26 1.405(9) . ?
C16 C15 1.400(9) . ?
C16 C11 1.406(8) . ?
C16 H19 0.9500 . ?
C45 C46 1.370(9) . ?
C45 C50 1.400(10) . ?
C36 C35 1.384(10) . ?
C36 H47 0.9500 . ?
C56 C55 1.373(9) . ?
C56 H75 0.9500 . ?
C11 C12 1.390(9) . ?
C52 C53 1.373(9) . ?
C52 H71 0.9500 . ?
C50 C49 1.393(10) . ?
C50 H70 0.9500 . ?
C6 C7 1.382(9) . ?
C6 H10 0.9500 . ?
C59 C57 1.533(8) . ?
C59 H79 0.9800 . ?
C59 H80 0.9800 . ?
C59 H81 0.9800 . ?
C9 C8 1.370(10) . ?
C9 H13 0.9500 . ?
C26 C27 1.407(10) . ?
C26 H38 0.9500 . ?
C19 H23 0.9800 . ?
C19 H24 0.9800 . ?
C19 H25 0.9800 . ?
C4 H7 0.9800 . ?
C4 H8 0.9800 . ?
C4 H9 0.9800 . ?
C60 C57 1.543(9) . ?
C60 H82 0.9800 . ?
C60 H83 0.9800 . ?
C60 H84 0.9800 . ?
C12 C13 1.390(9) . ?
C12 H15 0.9500 . ?
C20 H26 0.9800 . ?
C20 H27 0.9800 . ?
C20 H28 0.9800 . ?
C41 C43 1.514(9) . ?
C41 C42 1.529(9) . ?
C41 C44 1.541(10) . ?
C40 H54 0.9800 . ?
C40 H55 0.9800 . ?
C40 H56 0.9800 . ?
C46 C47 1.380(10) . ?
C46 H66 0.9500 . ?
C38 H48 0.9800 . ?
C38 H49 0.9800 . ?
C38 H50 0.9800 . ?
C15 C14 1.368(9) . ?
C15 H18 0.9500 . ?
C14 C13 1.376(9) . ?
C14 H17 0.9500 . ?
C57 C58 1.528(9) . ?
C29 C28 1.356(11) . ?
C29 H41 0.9500 . ?
C8 C7 1.420(9) . ?
C8 H12 0.9500 . ?
C55 C54 1.389(10) . ?
C55 H74 0.9500 . ?
C21 C24 1.499(9) . ?
C21 C23 1.519(9) . ?
C21 C22 1.544(11) . ?
C13 H16 0.9500 . ?
C39 H51 0.9800 . ?
C39 H52 0.9800 . ?
C39 H53 0.9800 . ?
C2 H1 0.9800 . ?
C2 H2 0.9800 . ?
C2 H3 0.9800 . ?
C44 H63 0.9800 . ?
C44 H64 0.9800 . ?
C44 H65 0.9800 . ?
C53 C54 1.378(10) . ?
C53 H72 0.9500 . ?
C42 H57 0.9800 . ?
C42 H58 0.9800 . ?
C42 H59 0.9800 . ?
C58 H76 0.9800 . ?
C58 H77 0.9800 . ?
C58 H78 0.9800 . ?
C49 C48 1.372(11) . ?
C49 H69 0.9500 . ?
C23 H32 0.9800 . ?
C23 H33 0.9800 . ?
C23 H34 0.9800 . ?
C3 H4 0.9800 . ?
C3 H5 0.9800 . ?
C3 H6 0.9800 . ?
C7 H11 0.9500 . ?
C27 C28 1.407(10) . ?
C27 H39 0.9500 . ?
C54 H73 0.9500 . ?
C47 C48 1.370(11) . ?
C47 H67 0.9500 . ?
C28 H40 0.9500 . ?
C24 H35 0.9800 . ?
C24 H36 0.9800 . ?
C24 H37 0.9800 . ?
C48 H68 0.9500 . ?
C43 H60 0.9800 . ?
C43 H61 0.9800 . ?
C43 H62 0.9800 . ?
C32 C33 1.411(12) . ?
C32 H43 0.9500 . ?
C35 C34 1.355(12) . ?
C35 H46 0.9500 . ?
C34 C33 1.348(12) . ?
C34 H45 0.9500 . ?
C33 H44 0.9500 . ?
C22 H29 0.9800 . ?
C22 H30 0.9800 . ?
C22 H31 0.9800 . ?
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
N1 P1 N2 C17 -161.2(5) . . . . ?
C11 P1 N2 C17 -39.9(6) . . . . ?
C5 P1 N2 C17 80.4(6) . . . . ?
Si1 P1 N2 C17 -165.4(7) . . . . ?
N1 P1 N2 Si1 4.2(2) . . . . ?
C11 P1 N2 Si1 125.6(3) . . . . ?
C5 P1 N2 Si1 -114.2(3) . . . . ?
N1 Si1 N2 C17 162.5(5) . . . . ?
Cl1 Si1 N2 C17 67.5(5) . . . . ?
Pd1 Si1 N2 C17 -67.1(5) . . . . ?
P1 Si1 N2 C17 166.3(6) . . . . ?
N1 Si1 N2 P1 -3.8(2) . . . . ?
Cl1 Si1 N2 P1 -98.8(2) . . . . ?
Pd1 Si1 N2 P1 126.63(18) . . . . ?
N2 P1 N1 C1 -168.8(6) . . . . ?
C11 P1 N1 C1 73.7(6) . . . . ?
C5 P1 N1 C1 -50.1(6) . . . . ?
Si1 P1 N1 C1 -164.6(7) . . . . ?
N2 P1 N1 Si1 -4.2(3) . . . . ?
C11 P1 N1 Si1 -121.7(3) . . . . ?
C5 P1 N1 Si1 114.5(3) . . . . ?
N2 Si1 N1 C1 168.6(5) . . . . ?
Cl1 Si1 N1 C1 -94.6(5) . . . . ?
Pd1 Si1 N1 C1 47.3(6) . . . . ?
P1 Si1 N1 C1 164.9(6) . . . . ?
N2 Si1 N1 P1 3.8(2) . . . . ?
Cl1 Si1 N1 P1 100.5(2) . . . . ?
Pd1 Si1 N1 P1 -117.6(2) . . . . ?
N3 P2 N4 C37 -164.7(6) . . . . ?
C25 P2 N4 C37 76.0(6) . . . . ?
C31 P2 N4 C37 -46.3(6) . . . . ?
Si2 P2 N4 C37 -165.8(7) . . . . ?
N3 P2 N4 Si2 1.1(3) . . . . ?
C25 P2 N4 Si2 -118.3(3) . . . . ?
C31 P2 N4 Si2 119.5(3) . . . . ?
N3 Si2 N4 C37 165.5(5) . . . . ?
Cl2 Si2 N4 C37 70.2(5) . . . . ?
Pd1 Si2 N4 C37 -67.7(6) . . . . ?
P2 Si2 N4 C37 166.4(7) . . . . ?
N3 Si2 N4 P2 -1.0(3) . . . . ?
Cl2 Si2 N4 P2 -96.3(2) . . . . ?
Pd1 Si2 N4 P2 125.89(19) . . . . ?
N6 P3 N5 C41 -161.5(6) . . . . ?
C51 P3 N5 C41 80.5(7) . . . . ?
C45 P3 N5 C41 -45.0(7) . . . . ?
Si3 P3 N5 C41 -160.4(7) . . . . ?
N6 P3 N5 Si3 -1.1(3) . . . . ?
C51 P3 N5 Si3 -119.1(3) . . . . ?
C45 P3 N5 Si3 115.3(3) . . . . ?
N6 Si3 N5 C41 163.5(6) . . . . ?
Cl3 Si3 N5 C41 -100.4(5) . . . . ?
Pd1 Si3 N5 C41 40.0(6) . . . . ?
P3 Si3 N5 C41 162.5(7) . . . . ?
N6 Si3 N5 P3 1.0(2) . . . . ?
Cl3 Si3 N5 P3 97.0(2) . . . . ?
Pd1 Si3 N5 P3 -122.47(19) . . . . ?
N4 P2 N3 C21 -157.4(6) . . . . ?
C25 P2 N3 C21 -37.6(7) . . . . ?
C31 P2 N3 C21 86.4(6) . . . . ?
Si2 P2 N3 C21 -156.4(7) . . . . ?
N4 P2 N3 Si2 -1.1(3) . . . . ?
C25 P2 N3 Si2 118.8(3) . . . . ?
C31 P2 N3 Si2 -117.2(3) . . . . ?
N4 Si2 N3 C21 159.3(5) . . . . ?
Cl2 Si2 N3 C21 -105.7(5) . . . . ?
Pd1 Si2 N3 C21 32.6(6) . . . . ?
P2 Si2 N3 C21 158.4(7) . . . . ?
N4 Si2 N3 P2 1.0(3) . . . . ?
Cl2 Si2 N3 P2 95.9(2) . . . . ?
Pd1 Si2 N3 P2 -125.8(2) . . . . ?
N5 P3 N6 C57 -169.1(6) . . . . ?
C51 P3 N6 C57 -52.2(7) . . . . ?
C45 P3 N6 C57 71.9(7) . . . . ?
Si3 P3 N6 C57 -170.2(7) . . . . ?
N5 P3 N6 Si3 1.1(3) . . . . ?
C51 P3 N6 Si3 118.0(3) . . . . ?
C45 P3 N6 Si3 -117.9(3) . . . . ?
N5 Si3 N6 C57 169.7(6) . . . . ?
Cl3 Si3 N6 C57 74.3(5) . . . . ?
Pd1 Si3 N6 C57 -63.5(6) . . . . ?
P3 Si3 N6 C57 170.7(7) . . . . ?
N5 Si3 N6 P3 -1.0(2) . . . . ?
Cl3 Si3 N6 P3 -96.4(2) . . . . ?
Pd1 Si3 N6 P3 125.8(2) . . . . ?
P2 N4 C37 C39 69.7(7) . . . . ?
Si2 N4 C37 C39 -91.6(6) . . . . ?
P2 N4 C37 C40 -53.3(8) . . . . ?
Si2 N4 C37 C40 145.4(5) . . . . ?
P2 N4 C37 C38 -170.5(5) . . . . ?
Si2 N4 C37 C38 28.1(7) . . . . ?
P1 N1 C1 C4 -42.5(8) . . . . ?
Si1 N1 C1 C4 157.9(4) . . . . ?
P1 N1 C1 C2 -160.8(5) . . . . ?
Si1 N1 C1 C2 39.6(7) . . . . ?
P1 N1 C1 C3 80.8(7) . . . . ?
Si1 N1 C1 C3 -78.8(6) . . . . ?
N5 P3 C51 C52 19.5(6) . . . . ?
N6 P3 C51 C52 -84.8(6) . . . . ?
C45 P3 C51 C52 148.9(5) . . . . ?
Si3 P3 C51 C52 -32.4(6) . . . . ?
N5 P3 C51 C56 -167.5(6) . . . . ?
N6 P3 C51 C56 88.2(6) . . . . ?
C45 P3 C51 C56 -38.1(7) . . . . ?
Si3 P3 C51 C56 140.6(5) . . . . ?
P1 N2 C17 C20 -174.1(5) . . . . ?
Si1 N2 C17 C20 24.8(7) . . . . ?
P1 N2 C17 C18 -55.1(7) . . . . ?
Si1 N2 C17 C18 143.8(5) . . . . ?
P1 N2 C17 C19 66.4(7) . . . . ?
Si1 N2 C17 C19 -94.6(6) . . . . ?
C9 C10 C5 C6 -1.9(10) . . . . ?
C9 C10 C5 P1 -174.5(5) . . . . ?
N2 P1 C5 C6 17.1(7) . . . . ?
N1 P1 C5 C6 -87.2(6) . . . . ?
C11 P1 C5 C6 142.1(6) . . . . ?
Si1 P1 C5 C6 -35.4(7) . . . . ?
N2 P1 C5 C10 -170.2(5) . . . . ?
N1 P1 C5 C10 85.4(6) . . . . ?
C11 P1 C5 C10 -45.3(6) . . . . ?
Si1 P1 C5 C10 137.2(5) . . . . ?
N4 P2 C31 C32 -81.9(7) . . . . ?
N3 P2 C31 C32 21.5(7) . . . . ?
C25 P2 C31 C32 150.3(6) . . . . ?
Si2 P2 C31 C32 -30.4(7) . . . . ?
N4 P2 C31 C36 89.4(6) . . . . ?
N3 P2 C31 C36 -167.3(5) . . . . ?
C25 P2 C31 C36 -38.4(6) . . . . ?
Si2 P2 C31 C36 140.8(5) . . . . ?
C29 C30 C25 C26 1.8(10) . . . . ?
C29 C30 C25 P2 -173.3(6) . . . . ?
N4 P2 C25 C26 24.4(7) . . . . ?
N3 P2 C25 C26 -80.9(6) . . . . ?
C31 P2 C25 C26 150.2(6) . . . . ?
Si2 P2 C25 C26 -29.0(7) . . . . ?
N4 P2 C25 C30 -160.6(5) . . . . ?
N3 P2 C25 C30 94.1(6) . . . . ?
C31 P2 C25 C30 -34.7(7) . . . . ?
Si2 P2 C25 C30 146.0(5) . . . . ?
N5 P3 C45 C46 -74.9(6) . . . . ?
N6 P3 C45 C46 29.5(6) . . . . ?
C51 P3 C45 C46 157.0(5) . . . . ?
Si3 P3 C45 C46 -21.8(6) . . . . ?
N5 P3 C45 C50 101.2(6) . . . . ?
N6 P3 C45 C50 -154.4(5) . . . . ?
C51 P3 C45 C50 -26.9(6) . . . . ?
Si3 P3 C45 C50 154.3(5) . . . . ?
C32 C31 C36 C35 1.1(11) . . . . ?
P2 C31 C36 C35 -170.1(6) . . . . ?
C52 C51 C56 C55 0.7(11) . . . . ?
P3 C51 C56 C55 -172.4(6) . . . . ?
C15 C16 C11 C12 1.3(9) . . . . ?
C15 C16 C11 P1 169.0(5) . . . . ?
N2 P1 C11 C12 91.6(5) . . . . ?
N1 P1 C11 C12 -163.4(5) . . . . ?
C5 P1 C11 C12 -34.6(6) . . . . ?
Si1 P1 C11 C12 142.7(4) . . . . ?
N2 P1 C11 C16 -76.0(6) . . . . ?
N1 P1 C11 C16 29.1(6) . . . . ?
C5 P1 C11 C16 157.8(5) . . . . ?
Si1 P1 C11 C16 -24.9(7) . . . . ?
C56 C51 C52 C53 0.5(11) . . . . ?
P3 C51 C52 C53 173.8(6) . . . . ?
C46 C45 C50 C49 -2.5(10) . . . . ?
P3 C45 C50 C49 -178.6(5) . . . . ?
C10 C5 C6 C7 4.4(10) . . . . ?
P1 C5 C6 C7 177.0(5) . . . . ?
C5 C10 C9 C8 -1.1(10) . . . . ?
C30 C25 C26 C27 -0.2(10) . . . . ?
P2 C25 C26 C27 175.1(6) . . . . ?
C16 C11 C12 C13 -0.1(10) . . . . ?
P1 C11 C12 C13 -167.6(5) . . . . ?
P3 N5 C41 C43 90.5(7) . . . . ?
Si3 N5 C41 C43 -64.6(8) . . . . ?
P3 N5 C41 C42 -149.7(5) . . . . ?
Si3 N5 C41 C42 55.2(7) . . . . ?
P3 N5 C41 C44 -31.6(9) . . . . ?
Si3 N5 C41 C44 173.3(5) . . . . ?
C50 C45 C46 C47 2.9(10) . . . . ?
P3 C45 C46 C47 179.2(5) . . . . ?
C11 C16 C15 C14 -2.0(10) . . . . ?
C16 C15 C14 C13 1.5(11) . . . . ?
P3 N6 C57 C58 -169.8(5) . . . . ?
Si3 N6 C57 C58 23.1(8) . . . . ?
P3 N6 C57 C59 71.1(8) . . . . ?
Si3 N6 C57 C59 -96.0(6) . . . . ?
P3 N6 C57 C60 -51.1(8) . . . . ?
Si3 N6 C57 C60 141.8(5) . . . . ?
C25 C30 C29 C28 -3.5(11) . . . . ?
C10 C9 C8 C7 1.5(11) . . . . ?
C51 C56 C55 C54 -2.4(11) . . . . ?
P2 N3 C21 C24 -44.0(9) . . . . ?
Si2 N3 C21 C24 165.9(5) . . . . ?
P2 N3 C21 C23 -161.4(5) . . . . ?
Si2 N3 C21 C23 48.5(7) . . . . ?
P2 N3 C21 C22 78.9(8) . . . . ?
Si2 N3 C21 C22 -71.2(8) . . . . ?
C15 C14 C13 C12 -0.2(11) . . . . ?
C11 C12 C13 C14 -0.5(11) . . . . ?
C51 C52 C53 C54 0.2(12) . . . . ?
C45 C50 C49 C48 -0.4(11) . . . . ?
C5 C6 C7 C8 -4.0(11) . . . . ?
C9 C8 C7 C6 1.1(11) . . . . ?
C25 C26 C27 C28 0.3(12) . . . . ?
C52 C53 C54 C55 -2.0(12) . . . . ?
C56 C55 C54 C53 3.1(11) . . . . ?
C45 C46 C47 C48 -0.3(10) . . . . ?
C30 C29 C28 C27 3.6(12) . . . . ?
C26 C27 C28 C29 -2.1(13) . . . . ?
C46 C47 C48 C49 -2.8(11) . . . . ?
C50 C49 C48 C47 3.1(11) . . . . ?
C36 C31 C32 C33 -2.1(11) . . . . ?
P2 C31 C32 C33 169.2(6) . . . . ?
C31 C36 C35 C34 0.5(12) . . . . ?
C36 C35 C34 C33 -1.1(14) . . . . ?
C35 C34 C33 C32 0.0(15) . . . . ?
C31 C32 C33 C34 1.6(14) . . . . ?
