# Electronic Supplementary Material (ESI) for ChemComm.
# 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_534
_database_code_depnum_ccdc_archive 'CCDC 2259953'
loop_
_audit_author_name
_audit_author_address
'Norio Nakata'
;Saitama University
Japan
;
_audit_update_record             
;
2023-05-01 deposited with the CCDC.	2023-07-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_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

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.160(3)
_cell_length_b                   15.382(3)
_cell_length_c                   15.980(3)
_cell_angle_alpha                108.610(3)
_cell_angle_beta                 104.396(3)
_cell_angle_gamma                100.007(3)
_cell_volume                     3288.2(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2200
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      22.20

_exptl_crystal_description       prism
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_F_000             1340
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.573
_shelx_estimated_absorpt_T_min   0.940
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.9397
_exptl_absorpt_correction_T_max  0.9775
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            16599
_diffrn_reflns_av_unetI/netI     0.2205
_diffrn_reflns_av_R_equivalents  0.1778
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.443
_diffrn_reflns_theta_max         25.422
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             11884
_reflns_number_gt                6523
_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    'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_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)+(0.0065P)²+0.0001P] 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_number_reflns         11884
_refine_ls_number_parameters     703
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0709
_refine_ls_wR_factor_ref         0.1495
_refine_ls_wR_factor_gt          0.1314
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_restrained_S_all      0.829
_refine_ls_shift/su_max          0.001
_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 0.28443(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 . . .


_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 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_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_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) . . . . ?

_refine_diff_density_max         1.804
_refine_diff_density_min         -1.375
_refine_diff_density_rms         0.124



####################################################################### 
# 
# 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_599
_database_code_depnum_ccdc_archive 'CCDC 2259954'
loop_
_audit_author_name
_audit_author_address
'Norio Nakata'
;Saitama University
Japan
;
_audit_update_record             
;
2023-05-01 deposited with the CCDC.	2023-07-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H84 Cl3 N6 P3 Pd4 Si3, 2(C6 H6)'
_chemical_formula_sum            'C72 H96 Cl3 N6 P3 Pd4 Si3'
_chemical_formula_weight         1754.67

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'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.9430(12)
_cell_length_b                   15.0116(12)
_cell_length_c                   18.1731(14)
_cell_angle_alpha                80.8930(10)
_cell_angle_beta                 76.3520(10)
_cell_angle_gamma                76.1360(10)
_cell_volume                     3823.6(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9970
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      25.45

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             1784
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    1.184
_shelx_estimated_absorpt_T_min   0.806
_shelx_estimated_absorpt_T_max   0.852
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            19376
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_av_R_equivalents  0.0716
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.160
_diffrn_reflns_theta_max         25.464
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.984
_reflns_number_total             13903
_reflns_number_gt                12141
_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    'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_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)+(0.0695P)²+2.5060P] 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_number_reflns         13903
_refine_ls_number_parameters     891
_refine_ls_number_restraints     246
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.1129
_refine_ls_wR_factor_gt          0.1087
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_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 0.53782(2) 0.34924(2) 0.24812(2) 0.01637(8) Uani 1 1 d . . . . .
Pd2 Pd 0.66684(2) 0.24372(2) 0.15469(2) 0.02031(8) Uani 1 1 d . . . . .
Pd4 Pd 0.36255(2) 0.33177(2) 0.26297(2) 0.02005(8) Uani 1 1 d . . . . .
Pd3 Pd 0.57342(2) 0.50270(2) 0.27648(2) 0.01971(8) Uani 1 1 d . . . . .
P2 P 0.85065(6) 0.40172(6) 0.17700(5) 0.01421(18) Uani 1 1 d . . . . .
P3 P 0.28127(6) 0.58135(6) 0.35180(5) 0.01676(19) Uani 1 1 d . . . . .
Cl2 Cl 0.58819(7) 0.64071(6) 0.31330(6) 0.0284(2) Uani 1 1 d . . . . .
P1 P 0.48548(6) 0.06758(6) 0.19629(5) 0.01517(18) Uani 1 1 d . . . . .
Cl1 Cl 0.76530(7) 0.18545(7) 0.04180(6) 0.0306(2) Uani 1 1 d . . . . .
Cl3 Cl 0.21018(6) 0.31318(7) 0.26484(7) 0.0330(2) Uani 1 1 d . . . . .
Si2 Si 0.68524(7) 0.37056(7) 0.20877(6) 0.0200(2) Uani 1 1 d . . . . .
Si3 Si 0.42388(7) 0.46363(7) 0.29550(5) 0.0207(2) Uani 1 1 d . . . . .
Si1 Si 0.50202(7) 0.22568(7) 0.21742(6) 0.0200(2) Uani 1 1 d . . . . .
N5 N 0.35298(19) 0.49296(19) 0.38664(16) 0.0156(6) Uani 1 1 d . . . . .
N1 N 0.4997(2) 0.11207(19) 0.26825(16) 0.0177(6) Uani 1 1 d . . . . .
N3 N 0.78807(19) 0.3498(2) 0.25039(16) 0.0163(6) Uani 1 1 d . . . . .
N2 N 0.48828(19) 0.16674(19) 0.14351(16) 0.0155(6) Uani 1 1 d . . . . .
N4 N 0.76206(18) 0.4264(2) 0.13358(15) 0.0154(6) Uani 1 1 d . . . . .
N6 N 0.3393(2) 0.5619(2) 0.26527(16) 0.0199(6) Uani 1 1 d . . . . .
C41 C 0.3463(2) 0.4392(2) 0.46312(19) 0.0187(7) Uani 1 1 d . . . . .
C25 C 0.9540(2) 0.3282(2) 0.1302(2) 0.0186(7) Uani 1 1 d . . . . .
C11 C 0.3751(2) 0.0326(2) 0.2107(2) 0.0182(7) Uani 1 1 d . . . . .
C26 C 0.9453(3) 0.2741(3) 0.0776(2) 0.0246(8) Uani 1 1 d . . . . .
H38 H 0.887106 0.282343 0.062146 0.029 Uiso 1 1 calc R U . . .
C30 C 1.0394(2) 0.3144(3) 0.1541(2) 0.0241(8) Uani 1 1 d . . . . .
H42 H 1.045727 0.351408 0.189658 0.029 Uiso 1 1 calc R U . . .
C45 C 0.1590(2) 0.5736(3) 0.3716(2) 0.0223(8) Uani 1 1 d . . . . .
C21 C 0.8162(2) 0.2836(2) 0.3151(2) 0.0207(7) Uani 1 1 d . . . . .
C31 C 0.8829(2) 0.5020(2) 0.1964(2) 0.0194(7) Uani 1 1 d . . . . .
C51 C 0.2835(2) 0.6905(2) 0.3794(2) 0.0205(7) Uani 1 1 d . . . . .
C32 C 0.8216(3) 0.5531(3) 0.2518(2) 0.0234(8) Uani 1 1 d . . . . .
H43 H 0.770984 0.528930 0.284119 0.028 Uiso 1 1 calc R U . . .
C17 C 0.4599(2) 0.2017(2) 0.06847(19) 0.0187(7) Uani 1 1 d . . . . .
C37 C 0.7421(2) 0.4949(3) 0.0678(2) 0.0209(8) Uani 1 1 d . . . . .
C44 C 0.3029(3) 0.5033(3) 0.5249(2) 0.0265(8) Uani 1 1 d . . . . .
H63 H 0.341210 0.549272 0.520206 0.040 Uiso 1 1 calc R U . . .
H64 H 0.300470 0.467309 0.574999 0.040 Uiso 1 1 calc R U . . .
H65 H 0.238891 0.534577 0.519317 0.040 Uiso 1 1 calc R U . . .
C16 C 0.3614(3) -0.0258(3) 0.1640(2) 0.0257(8) Uani 1 1 d . . . . .
H19 H 0.413855 -0.057152 0.130068 0.031 Uiso 1 1 calc R U . . .
C1 C 0.5337(3) 0.0680(3) 0.3387(2) 0.0243(8) Uani 1 1 d . . . . .
C10 C 0.5741(3) -0.1182(3) 0.1881(2) 0.0256(8) Uani 1 1 d . . . . .
H14 H 0.518346 -0.133172 0.220168 0.031 Uiso 1 1 calc R U . . .
C5 C 0.5788(2) -0.0261(2) 0.1631(2) 0.0194(7) Uani 1 1 d . . . . .
C12 C 0.2986(3) 0.0774(3) 0.2606(2) 0.0229(8) Uani 1 1 d . . . . .
H15 H 0.307329 0.117001 0.292978 0.027 Uiso 1 1 calc R U . . .
C56 C 0.3626(3) 0.6994(3) 0.4022(2) 0.0245(8) Uani 1 1 d . . . . .
H75 H 0.412537 0.647150 0.406071 0.029 Uiso 1 1 calc R U . . .
C20 C 0.4888(3) 0.2944(3) 0.0432(2) 0.0258(8) Uani 1 1 d . . . . .
H26 H 0.456273 0.337199 0.081265 0.039 Uiso 1 1 calc R U . . .
H27 H 0.471709 0.319892 -0.005935 0.039 Uiso 1 1 calc R U . . .
H28 H 0.557071 0.285769 0.037895 0.039 Uiso 1 1 calc R U . . .
C6 C 0.6609(3) -0.0045(3) 0.1172(2) 0.0253(8) Uani 1 1 d . . . . .
H10 H 0.664299 0.058188 0.100827 0.030 Uiso 1 1 calc R U . . .
C24 C 0.7261(3) 0.2762(3) 0.3746(2) 0.0285(9) Uani 1 1 d . . . . .
H35 H 0.692566 0.337875 0.388009 0.043 Uiso 1 1 calc R U . . .
H36 H 0.742405 0.237360 0.420189 0.043 Uiso 1 1 calc R U . . .
H37 H 0.685723 0.248542 0.353604 0.043 Uiso 1 1 calc R U . . .
C50 C 0.0927(3) 0.6163(3) 0.4307(2) 0.0292(9) Uani 1 1 d . . . . .
H70 H 0.111343 0.650979 0.461687 0.035 Uiso 1 1 calc R U . . .
C4 C 0.5048(3) 0.1406(3) 0.3942(2) 0.0322(9) Uani 1 1 d . . . . .
H7 H 0.531721 0.194359 0.370916 0.048 Uiso 1 1 calc R U . . .
H8 H 0.528033 0.114849 0.440847 0.048 Uiso 1 1 calc R U . . .
H9 H 0.435933 0.159287 0.406540 0.048 Uiso 1 1 calc R U . . .
C46 C 0.1319(3) 0.5210(3) 0.3279(2) 0.0287(9) Uani 1 1 d . . . . .
H66 H 0.176551 0.490759 0.288188 0.034 Uiso 1 1 calc R U . . .
C15 C 0.2715(3) -0.0389(3) 0.1663(2) 0.0289(9) Uani 1 1 d . . . . .
H18 H 0.262358 -0.078530 0.134101 0.035 Uiso 1 1 calc R U . . .
C43 C 0.2876(3) 0.3673(3) 0.4684(2) 0.0298(9) Uani 1 1 d . . . . .
H60 H 0.222669 0.398400 0.465562 0.045 Uiso 1 1 calc R U . . .
H61 H 0.287846 0.328005 0.516952 0.045 Uiso 1 1 calc R U . . .
H62 H 0.314412 0.329131 0.426240 0.045 Uiso 1 1 calc R U . . .
C52 C 0.2112(3) 0.7680(3) 0.3721(2) 0.0272(8) Uani 1 1 d . . . . .
H71 H 0.157601 0.763032 0.354715 0.033 Uiso 1 1 calc R U . . .
C42 C 0.4469(3) 0.3919(3) 0.4709(2) 0.0252(8) Uani 1 1 d . . . . .
H57 H 0.472866 0.346067 0.434335 0.038 Uiso 1 1 calc R U . . .
H58 H 0.446259 0.361091 0.522752 0.038 Uiso 1 1 calc R U . . .
H59 H 0.486047 0.438083 0.460708 0.038 Uiso 1 1 calc R U . . .
C27 C 1.0221(3) 0.2084(3) 0.0480(2) 0.0333(9) Uani 1 1 d . . . . .
H39 H 1.017562 0.172778 0.010700 0.040 Uiso 1 1 calc R U . . .
C29 C 1.1141(3) 0.2464(3) 0.1256(2) 0.0324(9) Uani 1 1 d . . . . .
H41 H 1.171532 0.235710 0.142681 0.039 Uiso 1 1 calc R U . . .
C39 C 0.7049(3) 0.5908(3) 0.0940(2) 0.0306(9) Uani 1 1 d . . . . .
H51 H 0.651660 0.589255 0.137259 0.046 Uiso 1 1 calc R U . . .
H52 H 0.684102 0.634337 0.052072 0.046 Uiso 1 1 calc R U . . .
H53 H 0.755041 0.610546 0.109456 0.046 Uiso 1 1 calc R U . . .
C73 C 0.4154(6) 0.5638(7) 0.1317(5) 0.018(2) Uani 0.473(14) 1 d D U P A 2
H99 H 0.403478 0.501757 0.135068 0.027 Uiso 0.473(14) 1 calc R U P A 2
H100 H 0.412749 0.595280 0.080507 0.027 Uiso 0.473(14) 1 calc R U P A 2
H101 H 0.477841 0.559354 0.142098 0.027 Uiso 0.473(14) 1 calc R U P A 2
C23 C 0.8822(3) 0.3204(3) 0.3498(2) 0.0290(9) Uani 1 1 d . . . . .
H32 H 0.940906 0.323123 0.312278 0.044 Uiso 1 1 calc R U . . .
H33 H 0.896326 0.279349 0.395024 0.044 Uiso 1 1 calc R U . . .
H34 H 0.851783 0.382462 0.364168 0.044 Uiso 1 1 calc R U . . .
C7 C 0.7378(3) -0.0742(3) 0.0953(2) 0.0335(9) Uani 1 1 d . . . . .
H11 H 0.794043 -0.059525 0.063934 0.040 Uiso 1 1 calc R U . . .
C36 C 0.9582(3) 0.5373(3) 0.1491(2) 0.0280(9) Uani 1 1 d . . . . .
H47 H 1.000615 0.502480 0.111066 0.034 Uiso 1 1 calc R U . . .
C40 C 0.6683(3) 0.4664(3) 0.0368(2) 0.0306(9) Uani 1 1 d . . . . .
H54 H 0.694214 0.405863 0.018023 0.046 Uiso 1 1 calc R U . . .
H55 H 0.650506 0.512052 -0.004958 0.046 Uiso 1 1 calc R U . . .
H56 H 0.612601 0.462940 0.077529 0.046 Uiso 1 1 calc R U . . .
C14 C 0.1958(3) 0.0067(3) 0.2161(3) 0.0331(9) Uani 1 1 d . . . . .
H17 H 0.134253 -0.001765 0.217961 0.040 Uiso 1 1 calc R U . . .
C53 C 0.2177(3) 0.8519(3) 0.3903(3) 0.0366(10) Uani 1 1 d . . . . .
H72 H 0.168047 0.904310 0.386409 0.044 Uiso 1 1 calc R U . . .
C19 C 0.3534(3) 0.2163(3) 0.0786(2) 0.0286(9) Uani 1 1 d . . . . .
H23 H 0.334284 0.157025 0.094967 0.043 Uiso 1 1 calc R U . . .
H24 H 0.334978 0.242538 0.030047 0.043 Uiso 1 1 calc R U . . .
H25 H 0.322376 0.258838 0.117153 0.043 Uiso 1 1 calc R U . . .
C22 C 0.8635(3) 0.1886(3) 0.2878(2) 0.0330(9) Uani 1 1 d . . . . .
H29 H 0.820448 0.167317 0.264672 0.050 Uiso 1 1 calc R U . . .
H30 H 0.878652 0.144549 0.331263 0.050 Uiso 1 1 calc R U . . .
H31 H 0.921447 0.193329 0.250033 0.050 Uiso 1 1 calc R U . . .
C57 C 0.3410(3) 0.6183(3) 0.1899(2) 0.0278(8) Uani 1 1 d D U . . .
C18 C 0.5098(3) 0.1351(3) 0.0104(2) 0.0318(9) Uani 1 1 d . . . . .
H20 H 0.577926 0.130765 0.001525 0.048 Uiso 1 1 calc R U . . .
H21 H 0.488218 0.157078 -0.037469 0.048 Uiso 1 1 calc R U . . .
H22 H 0.495736 0.074043 0.029404 0.048 Uiso 1 1 calc R U . . .
C13 C 0.2084(3) 0.0642(3) 0.2631(2) 0.0312(9) Uani 1 1 d . . . . .
H16 H 0.155727 0.094845 0.297230 0.037 Uiso 1 1 calc R U . . .
C49 C -0.0010(3) 0.6076(3) 0.4439(3) 0.0366(10) Uani 1 1 d . . . . .
H69 H -0.046380 0.636912 0.483647 0.044 Uiso 1 1 calc R U . . .
C38 C 0.8308(3) 0.4943(3) 0.0052(2) 0.0341(10) Uani 1 1 d . . . . .
H48 H 0.878045 0.514499 0.024089 0.051 Uiso 1 1 calc R U . . .
H49 H 0.815038 0.536280 -0.039208 0.051 Uiso 1 1 calc R U . . .
H50 H 0.856046 0.431618 -0.009541 0.051 Uiso 1 1 calc R U . . .
C35 C 0.9702(3) 0.6232(3) 0.1584(3) 0.0391(11) Uani 1 1 d . . . . .
H46 H 1.021570 0.647020 0.127046 0.047 Uiso 1 1 calc R U . . .
C28 C 1.1064(3) 0.1944(3) 0.0730(3) 0.0381(10) Uani 1 1 d . . . . .
H40 H 1.158757 0.148496 0.053318 0.046 Uiso 1 1 calc R U . . .
C34 C 0.9079(3) 0.6742(3) 0.2128(3) 0.0418(11) Uani 1 1 d . . . . .
H45 H 0.915846 0.733645 0.217994 0.050 Uiso 1 1 calc R U . . .
C8 C 0.7327(3) -0.1655(3) 0.1191(3) 0.0370(10) Uani 1 1 d . . . . .
H12 H 0.785274 -0.213328 0.103318 0.044 Uiso 1 1 calc R U . . .
C3 C 0.4880(3) -0.0142(3) 0.3727(2) 0.0336(10) Uani 1 1 d . . . . .
H4 H 0.419300 0.006603 0.383102 0.050 Uiso 1 1 calc R U . . .
H5 H 0.508476 -0.041228 0.420297 0.050 Uiso 1 1 calc R U . . .
H6 H 0.506890 -0.060602 0.336564 0.050 Uiso 1 1 calc R U . . .
C9 C 0.6518(3) -0.1874(3) 0.1655(2) 0.0345(10) Uani 1 1 d . . . . .
H13 H 0.649206 -0.250215 0.182046 0.041 Uiso 1 1 calc R U . . .
C55 C 0.3697(3) 0.7836(3) 0.4193(3) 0.0350(10) Uani 1 1 d . . . . .
H74 H 0.424353 0.789584 0.434597 0.042 Uiso 1 1 calc R U . . .
C33 C 0.8336(3) 0.6397(3) 0.2603(3) 0.0346(10) Uani 1 1 d . . . . .
H44 H 0.791425 0.674844 0.298199 0.041 Uiso 1 1 calc R U . . .
C2 C 0.6411(3) 0.0375(3) 0.3198(2) 0.0354(10) Uani 1 1 d . . . . .
H1 H 0.659239 -0.011398 0.285874 0.053 Uiso 1 1 calc R U . . .
H2 H 0.664234 0.014132 0.366832 0.053 Uiso 1 1 calc R U . . .
H3 H 0.668762 0.090230 0.294404 0.053 Uiso 1 1 calc R U . . .
C47 C 0.0377(3) 0.5130(3) 0.3431(3) 0.0393(11) Uani 1 1 d . . . . .
H67 H 0.018743 0.476549 0.313745 0.047 Uiso 1 1 calc R U . . .
C66 C 0.1903(3) 0.1682(3) 0.4497(3) 0.0395(11) Uani 1 1 d . . . . .
H90 H 0.231244 0.204948 0.418305 0.047 Uiso 1 1 calc R U . . .
C54 C 0.2962(3) 0.8592(3) 0.4139(3) 0.0397(11) Uani 1 1 d . . . . .
H73 H 0.300196 0.916929 0.426692 0.048 Uiso 1 1 calc R U . . .
C61 C 0.2232(3) 0.1000(4) 0.5037(3) 0.0447(12) Uani 1 1 d . . . . .
H85 H 0.286409 0.090210 0.509640 0.054 Uiso 1 1 calc R U . . .
C48 C -0.0272(3) 0.5566(3) 0.3994(3) 0.0407(11) Uani 1 1 d . . . . .
H68 H -0.091169 0.551719 0.407942 0.049 Uiso 1 1 calc R U . . .
C68 C 1.0711(3) 0.8665(3) 0.1408(3) 0.0504(12) Uani 1 1 d D U . . .
H93 H 1.127241 0.830231 0.114510 0.061 Uiso 1 1 calc R U . . .
C65 C 0.0988(3) 0.1827(3) 0.4414(3) 0.0419(11) Uani 1 1 d . . . . .
H89 H 0.076400 0.229454 0.404313 0.050 Uiso 1 1 calc R U . . .
C63 C 0.0718(4) 0.0619(4) 0.5403(3) 0.0529(13) Uani 1 1 d . . . . .
H87 H 0.030394 0.025410 0.571494 0.063 Uiso 1 1 calc R U . . .
C64 C 0.0400(3) 0.1296(4) 0.4867(3) 0.0497(13) Uani 1 1 d . . . . .
H88 H -0.023359 0.139749 0.481070 0.060 Uiso 1 1 calc R U . . .
C62 C 0.1636(4) 0.0466(4) 0.5488(3) 0.0491(12) Uani 1 1 d . . . . .
H86 H 0.185743 -0.000630 0.585697 0.059 Uiso 1 1 calc R U . . .
C69 C 1.0378(4) 0.8419(4) 0.2157(3) 0.0577(13) Uani 1 1 d D U . . .
H94 H 1.071764 0.785200 0.236285 0.069 Uiso 0.54(3) 1 calc R U P B 1
H95 H 1.069580 0.792252 0.245778 0.069 Uiso 0.46(3) 1 calc R U P B 2
C67 C 1.0251(4) 0.9423(4) 0.1033(3) 0.0605(14) Uani 1 1 d D U . . .
H91 H 1.044000 0.961503 0.050647 0.073 Uiso 0.54(3) 1 calc R U P B 1
H92 H 1.058153 0.959237 0.053556 0.073 Uiso 0.46(3) 1 calc R U P B 2
C75 C 0.3532(9) 0.7132(5) 0.1892(6) 0.037(3) Uani 0.473(14) 1 d D U P A 2
H105 H 0.353620 0.745773 0.137929 0.056 Uiso 0.473(14) 1 calc R U P A 2
H106 H 0.301036 0.745885 0.225518 0.056 Uiso 0.473(14) 1 calc R U P A 2
H107 H 0.412940 0.711032 0.203566 0.056 Uiso 0.473(14) 1 calc R U P A 2
C71 C 0.9141(7) 0.9628(8) 0.2308(7) 0.050(3) Uani 0.54(3) 1 d D U P B 1
H97 H 0.859152 0.997637 0.259820 0.060 Uiso 0.54(3) 1 calc R U P B 1
C70 C 0.9651(8) 0.8845(9) 0.2650(6) 0.050(3) Uani 0.54(3) 1 d D U P B 1
H96 H 0.950146 0.863376 0.317631 0.060 Uiso 0.54(3) 1 calc R U P B 1
C74 C 0.2423(5) 0.6238(8) 0.1685(5) 0.028(2) Uani 0.473(14) 1 d D U P A 2
H102 H 0.233134 0.561200 0.168713 0.041 Uiso 0.473(14) 1 calc R U P A 2
H103 H 0.191435 0.656268 0.205863 0.041 Uiso 0.473(14) 1 calc R U P A 2
H104 H 0.241452 0.657192 0.117654 0.041 Uiso 0.473(14) 1 calc R U P A 2
C72 C 0.9436(8) 0.9906(9) 0.1532(7) 0.060(3) Uani 0.54(3) 1 d D U P B 1
H98 H 0.907326 1.045133 0.131709 0.072 Uiso 0.54(3) 1 calc R U P B 1
C59 C 0.2458(5) 0.6679(7) 0.1789(5) 0.037(2) Uani 0.527(14) 1 d D U P A 1
H79 H 0.250831 0.703780 0.128656 0.056 Uiso 0.527(14) 1 calc R U P A 1
H80 H 0.206456 0.623086 0.182193 0.056 Uiso 0.527(14) 1 calc R U P A 1
H81 H 0.217100 0.709479 0.218476 0.056 Uiso 0.527(14) 1 calc R U P A 1
C60 C 0.4002(7) 0.6946(6) 0.1878(5) 0.029(2) Uani 0.527(14) 1 d D U P A 1
H82 H 0.463780 0.664210 0.194973 0.044 Uiso 0.527(14) 1 calc R U P A 1
H83 H 0.404059 0.732561 0.138536 0.044 Uiso 0.527(14) 1 calc R U P A 1
H84 H 0.368916 0.733858 0.228716 0.044 Uiso 0.527(14) 1 calc R U P A 1
C58 C 0.3954(7) 0.5558(7) 0.1298(6) 0.030(3) Uani 0.527(14) 1 d D U P A 1
H76 H 0.457125 0.525924 0.141361 0.045 Uiso 0.527(14) 1 calc R U P A 1
H77 H 0.360391 0.508525 0.128992 0.045 Uiso 0.527(14) 1 calc R U P A 1
H78 H 0.403905 0.592207 0.079831 0.045 Uiso 0.527(14) 1 calc R U P A 1
C77 C 0.9012(8) 0.9734(9) 0.2003(10) 0.051(4) Uani 0.46(3) 1 d D U P B 2
H109 H 0.841248 1.007067 0.223021 0.062 Uiso 0.46(3) 1 calc R U P B 2
C76 C 0.9493(8) 0.8998(10) 0.2435(8) 0.051(4) Uani 0.46(3) 1 d D U P B 2
H108 H 0.920541 0.887434 0.295538 0.061 Uiso 0.46(3) 1 calc R U P B 2
C78 C 0.9404(8) 0.9977(9) 0.1246(10) 0.054(4) Uani 0.46(3) 1 d D U P B 2
H110 H 0.911376 1.046663 0.092385 0.064 Uiso 0.46(3) 1 calc R U P B 2


_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 Si3 2.2279(10) . ?
Pd1 Si1 2.2320(10) . ?
Pd1 Si2 2.2336(10) . ?
Pd1 Pd3 2.6358(4) . ?
Pd1 Pd2 2.6367(4) . ?
Pd1 Pd4 2.6408(4) . ?
Pd2 Si2 2.3744(11) . ?
Pd2 Cl1 2.3803(10) . ?
Pd2 Si1 2.5172(11) . ?
Pd4 Cl3 2.3513(9) . ?
Pd4 Si1 2.3616(11) . ?
Pd4 Si3 2.5697(11) . ?
Pd3 Cl2 2.3488(10) . ?
Pd3 Si3 2.3781(11) . ?
Pd3 Si2 2.5406(11) . ?
P2 N4 1.637(3) . ?
P2 N3 1.641(3) . ?
P2 C25 1.785(4) . ?
P2 C31 1.794(4) . ?
P2 Si2 2.5410(12) . ?
P3 N5 1.638(3) . ?
P3 N6 1.640(3) . ?
P3 C51 1.798(4) . ?
P3 C45 1.806(4) . ?
P3 Si3 2.5397(13) . ?
P1 N1 1.637(3) . ?
P1 N2 1.642(3) . ?
P1 C5 1.794(4) . ?
P1 C11 1.798(4) . ?
P1 Si1 2.5408(13) . ?
Si2 N4 1.802(3) . ?
Si2 N3 1.810(3) . ?
Si3 N5 1.800(3) . ?
Si3 N6 1.803(3) . ?
Si1 N2 1.795(3) . ?
Si1 N1 1.810(3) . ?
N5 C41 1.487(4) . ?
N1 C1 1.487(4) . ?
N3 C21 1.487(4) . ?
N2 C17 1.502(4) . ?
N4 C37 1.487(4) . ?
N6 C57 1.490(5) . ?
C41 C44 1.518(5) . ?
C41 C43 1.526(5) . ?
C41 C42 1.530(5) . ?
C25 C26 1.396(5) . ?
C25 C30 1.402(5) . ?
C11 C12 1.385(5) . ?
C11 C16 1.392(5) . ?
C26 C27 1.384(6) . ?
C26 H38 0.9500 . ?
C30 C29 1.380(5) . ?
C30 H42 0.9500 . ?
C45 C46 1.387(5) . ?
C45 C50 1.398(5) . ?
C21 C24 1.529(5) . ?
C21 C23 1.531(5) . ?
C21 C22 1.534(5) . ?
C31 C32 1.383(5) . ?
C31 C36 1.403(5) . ?
C51 C56 1.382(5) . ?
C51 C52 1.399(5) . ?
C32 C33 1.391(6) . ?
C32 H43 0.9500 . ?
C17 C18 1.509(5) . ?
C17 C19 1.524(5) . ?
C17 C20 1.526(5) . ?
C37 C40 1.520(5) . ?
C37 C39 1.522(5) . ?
C37 C38 1.528(5) . ?
C44 H63 0.9800 . ?
C44 H64 0.9800 . ?
C44 H65 0.9800 . ?
C16 C15 1.393(5) . ?
C16 H19 0.9500 . ?
C1 C4 1.518(6) . ?
C1 C3 1.528(5) . ?
C1 C2 1.531(6) . ?
C10 C9 1.390(6) . ?
C10 C5 1.398(5) . ?
C10 H14 0.9500 . ?
C5 C6 1.389(5) . ?
C12 C13 1.398(5) . ?
C12 H15 0.9500 . ?
C56 C55 1.382(6) . ?
C56 H75 0.9500 . ?
C20 H26 0.9800 . ?
C20 H27 0.9800 . ?
C20 H28 0.9800 . ?
C6 C7 1.384(5) . ?
C6 H10 0.9500 . ?
C24 H35 0.9800 . ?
C24 H36 0.9800 . ?
C24 H37 0.9800 . ?
C50 C49 1.398(5) . ?
C50 H70 0.9500 . ?
C4 H7 0.9800 . ?
C4 H8 0.9800 . ?
C4 H9 0.9800 . ?
C46 C47 1.399(6) . ?
C46 H66 0.9500 . ?
C15 C14 1.381(6) . ?
C15 H18 0.9500 . ?
C43 H60 0.9800 . ?
C43 H61 0.9800 . ?
C43 H62 0.9800 . ?
C52 C53 1.381(6) . ?
C52 H71 0.9500 . ?
C42 H57 0.9800 . ?
C42 H58 0.9800 . ?
C42 H59 0.9800 . ?
C27 C28 1.397(6) . ?
C27 H39 0.9500 . ?
C29 C28 1.366(6) . ?
C29 H41 0.9500 . ?
C39 H51 0.9800 . ?
C39 H52 0.9800 . ?
C39 H53 0.9800 . ?
C73 C57 1.517(7) . ?
C73 H99 0.9800 . ?
C73 H100 0.9800 . ?
C73 H101 0.9800 . ?
C23 H32 0.9800 . ?
C23 H33 0.9800 . ?
C23 H34 0.9800 . ?
C7 C8 1.384(6) . ?
C7 H11 0.9500 . ?
C36 C35 1.385(6) . ?
C36 H47 0.9500 . ?
C40 H54 0.9800 . ?
C40 H55 0.9800 . ?
C40 H56 0.9800 . ?
C14 C13 1.377(6) . ?
C14 H17 0.9500 . ?
C53 C54 1.374(7) . ?
C53 H72 0.9500 . ?
C19 H23 0.9800 . ?
C19 H24 0.9800 . ?
C19 H25 0.9800 . ?
C22 H29 0.9800 . ?
C22 H30 0.9800 . ?
C22 H31 0.9800 . ?
C57 C75 1.477(7) . ?
C57 C59 1.483(7) . ?
C57 C58 1.509(7) . ?
C57 C74 1.594(7) . ?
C57 C60 1.597(7) . ?
C18 H20 0.9800 . ?
C18 H21 0.9800 . ?
C18 H22 0.9800 . ?
C13 H16 0.9500 . ?
C49 C48 1.372(6) . ?
C49 H69 0.9500 . ?
C38 H48 0.9800 . ?
C38 H49 0.9800 . ?
C38 H50 0.9800 . ?
C35 C34 1.377(7) . ?
C35 H46 0.9500 . ?
C28 H40 0.9500 . ?
C34 C33 1.388(6) . ?
C34 H45 0.9500 . ?
C8 C9 1.380(6) . ?
C8 H12 0.9500 . ?
C3 H4 0.9800 . ?
C3 H5 0.9800 . ?
C3 H6 0.9800 . ?
C9 H13 0.9500 . ?
C55 C54 1.387(6) . ?
C55 H74 0.9500 . ?
C33 H44 0.9500 . ?
C2 H1 0.9800 . ?
C2 H2 0.9800 . ?
C2 H3 0.9800 . ?
C47 C48 1.363(7) . ?
C47 H67 0.9500 . ?
C66 C65 1.372(7) . ?
C66 C61 1.386(7) . ?
C66 H90 0.9500 . ?
C54 H73 0.9500 . ?
C61 C62 1.377(7) . ?
C61 H85 0.9500 . ?
C48 H68 0.9500 . ?
C68 C67 1.354(6) . ?
C68 C69 1.359(6) . ?
C68 H93 0.9500 . ?
C65 C64 1.369(7) . ?
C65 H89 0.9500 . ?
C63 C64 1.370(7) . ?
C63 C62 1.378(7) . ?
C63 H87 0.9500 . ?
C64 H88 0.9500 . ?
C62 H86 0.9500 . ?
C69 C70 1.334(8) . ?
C69 C76 1.427(8) . ?
C69 H94 0.9500 . ?
C69 H95 0.9500 . ?
C67 C78 1.345(8) . ?
C67 C72 1.447(8) . ?
C67 H91 0.9500 . ?
C67 H92 0.9500 . ?
C75 H105 0.9800 . ?
C75 H106 0.9800 . ?
C75 H107 0.9800 . ?
C71 C70 1.383(8) . ?
C71 C72 1.403(8) . ?
C71 H97 0.9500 . ?
C70 H96 0.9500 . ?
C74 H102 0.9800 . ?
C74 H103 0.9800 . ?
C74 H104 0.9800 . ?
C72 H98 0.9500 . ?
C59 H79 0.9800 . ?
C59 H80 0.9800 . ?
C59 H81 0.9800 . ?
C60 H82 0.9800 . ?
C60 H83 0.9800 . ?
C60 H84 0.9800 . ?
C58 H76 0.9800 . ?
C58 H77 0.9800 . ?
C58 H78 0.9800 . ?
C77 C78 1.390(9) . ?
C77 C76 1.402(9) . ?
C77 H109 0.9500 . ?
C76 H108 0.9500 . ?
C78 H110 0.9500 . ?

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 Si1 120.28(4) . . ?
Si3 Pd1 Si2 119.58(4) . . ?
Si1 Pd1 Si2 118.93(4) . . ?
Si3 Pd1 Pd3 57.82(3) . . ?
Si1 Pd1 Pd3 175.67(3) . . ?
Si2 Pd1 Pd3 62.25(3) . . ?
Si3 Pd1 Pd2 163.36(3) . . ?
Si1 Pd1 Pd2 61.60(3) . . ?
Si2 Pd1 Pd2 57.65(3) . . ?
Pd3 Pd1 Pd2 118.939(13) . . ?
Si3 Pd1 Pd4 63.04(3) . . ?
Si1 Pd1 Pd4 57.24(3) . . ?
Si2 Pd1 Pd4 167.57(3) . . ?
Pd3 Pd1 Pd4 120.617(13) . . ?
Pd2 Pd1 Pd4 115.927(13) . . ?
Si2 Pd2 Cl1 124.61(3) . . ?
Si2 Pd2 Si1 103.64(3) . . ?
Cl1 Pd2 Si1 129.20(3) . . ?
Si2 Pd2 Pd1 52.62(2) . . ?
Cl1 Pd2 Pd1 162.03(3) . . ?
Si1 Pd2 Pd1 51.26(2) . . ?
Cl3 Pd4 Si1 124.06(4) . . ?
Cl3 Pd4 Si3 132.55(3) . . ?
Si1 Pd4 Si3 103.24(3) . . ?
Cl3 Pd4 Pd1 174.88(3) . . ?
Si1 Pd4 Pd1 52.64(3) . . ?
Si3 Pd4 Pd1 50.61(2) . . ?
Cl2 Pd3 Si3 121.29(4) . . ?
Cl2 Pd3 Si2 135.46(3) . . ?
Si3 Pd3 Si2 103.18(3) . . ?
Cl2 Pd3 Pd1 172.99(3) . . ?
Si3 Pd3 Pd1 52.46(3) . . ?
Si2 Pd3 Pd1 51.08(2) . . ?
N4 P2 N3 90.12(14) . . ?
N4 P2 C25 114.88(16) . . ?
N3 P2 C25 114.48(16) . . ?
N4 P2 C31 113.31(16) . . ?
N3 P2 C31 114.76(16) . . ?
C25 P2 C31 108.55(16) . . ?
N4 P2 Si2 44.92(10) . . ?
N3 P2 Si2 45.21(10) . . ?
C25 P2 Si2 125.64(12) . . ?
C31 P2 Si2 125.80(12) . . ?
N5 P3 N6 89.91(14) . . ?
N5 P3 C51 114.47(16) . . ?
N6 P3 C51 114.91(16) . . ?
N5 P3 C45 115.96(16) . . ?
N6 P3 C45 114.92(16) . . ?
C51 P3 C45 106.44(17) . . ?
N5 P3 Si3 44.89(10) . . ?
N6 P3 Si3 45.02(10) . . ?
C51 P3 Si3 125.89(12) . . ?
C45 P3 Si3 127.67(13) . . ?
N1 P1 N2 89.94(14) . . ?
N1 P1 C5 114.84(16) . . ?
N2 P1 C5 114.54(16) . . ?
N1 P1 C11 114.66(16) . . ?
N2 P1 C11 113.55(15) . . ?
C5 P1 C11 108.56(16) . . ?
N1 P1 Si1 45.23(10) . . ?
N2 P1 Si1 44.71(10) . . ?
C5 P1 Si1 126.87(12) . . ?
C11 P1 Si1 124.56(12) . . ?
N4 Si2 N3 79.94(12) . . ?
N4 Si2 Pd1 143.54(10) . . ?
N3 Si2 Pd1 135.96(10) . . ?
N4 Si2 Pd2 104.12(10) . . ?
N3 Si2 Pd2 115.33(10) . . ?
Pd1 Si2 Pd2 69.73(3) . . ?
N4 Si2 Pd3 104.17(10) . . ?
N3 Si2 Pd3 103.53(10) . . ?
Pd1 Si2 Pd3 66.66(3) . . ?
Pd2 Si2 Pd3 135.02(4) . . ?
N4 Si2 P2 39.90(9) . . ?
N3 Si2 P2 40.05(9) . . ?
Pd1 Si2 P2 174.04(5) . . ?
Pd2 Si2 P2 115.48(4) . . ?
Pd3 Si2 P2 108.70(4) . . ?
N5 Si3 N6 80.02(13) . . ?
N5 Si3 Pd1 138.43(10) . . ?
N6 Si3 Pd1 140.61(11) . . ?
N5 Si3 Pd3 110.60(10) . . ?
N6 Si3 Pd3 110.13(11) . . ?
Pd1 Si3 Pd3 69.73(3) . . ?
N5 Si3 P3 39.97(9) . . ?
N6 Si3 P3 40.05(10) . . ?
Pd1 Si3 P3 173.41(6) . . ?
Pd3 Si3 P3 116.78(5) . . ?
N5 Si3 Pd4 105.60(10) . . ?
N6 Si3 Pd4 100.33(11) . . ?
Pd1 Si3 Pd4 66.35(3) . . ?
Pd3 Si3 Pd4 135.74(4) . . ?
P3 Si3 Pd4 107.27(4) . . ?
N2 Si1 N1 79.98(13) . . ?
N2 Si1 Pd1 147.36(10) . . ?
N1 Si1 Pd1 131.30(10) . . ?
N2 Si1 Pd4 111.65(10) . . ?
N1 Si1 Pd4 110.45(10) . . ?
Pd1 Si1 Pd4 70.12(3) . . ?
N2 Si1 Pd2 94.73(10) . . ?
N1 Si1 Pd2 112.09(10) . . ?
Pd1 Si1 Pd2 67.14(3) . . ?
Pd4 Si1 Pd2 132.96(4) . . ?
N2 Si1 P1 40.06(9) . . ?
N1 Si1 P1 39.93(9) . . ?
Pd1 Si1 P1 168.96(5) . . ?
Pd4 Si1 P1 117.37(4) . . ?
Pd2 Si1 P1 107.99(4) . . ?
C41 N5 P3 132.1(2) . . ?
C41 N5 Si3 130.7(2) . . ?
P3 N5 Si3 95.14(14) . . ?
C1 N1 P1 131.4(2) . . ?
C1 N1 Si1 130.5(2) . . ?
P1 N1 Si1 94.84(14) . . ?
C21 N3 P2 131.4(2) . . ?
C21 N3 Si2 131.2(2) . . ?
P2 N3 Si2 94.74(14) . . ?
C17 N2 P1 130.7(2) . . ?
C17 N2 Si1 131.9(2) . . ?
P1 N2 Si1 95.23(14) . . ?
C37 N4 P2 131.0(2) . . ?
C37 N4 Si2 131.3(2) . . ?
P2 N4 Si2 95.19(14) . . ?
C57 N6 P3 132.9(2) . . ?
C57 N6 Si3 130.2(2) . . ?
P3 N6 Si3 94.93(15) . . ?
N5 C41 C44 110.2(3) . . ?
N5 C41 C43 109.3(3) . . ?
C44 C41 C43 110.7(3) . . ?
N5 C41 C42 106.9(3) . . ?
C44 C41 C42 109.4(3) . . ?
C43 C41 C42 110.2(3) . . ?
C26 C25 C30 120.1(3) . . ?
C26 C25 P2 118.7(3) . . ?
C30 C25 P2 120.5(3) . . ?
C12 C11 C16 119.5(3) . . ?
C12 C11 P1 118.2(3) . . ?
C16 C11 P1 121.3(3) . . ?
C27 C26 C25 119.5(3) . . ?
C27 C26 H38 120.3 . . ?
C25 C26 H38 120.3 . . ?
C29 C30 C25 119.4(4) . . ?
C29 C30 H42 120.3 . . ?
C25 C30 H42 120.3 . . ?
C46 C45 C50 119.8(3) . . ?
C46 C45 P3 118.1(3) . . ?
C50 C45 P3 122.0(3) . . ?
N3 C21 C24 107.1(3) . . ?
N3 C21 C23 109.7(3) . . ?
C24 C21 C23 109.4(3) . . ?
N3 C21 C22 110.0(3) . . ?
C24 C21 C22 109.5(3) . . ?
C23 C21 C22 111.1(3) . . ?
C32 C31 C36 119.8(3) . . ?
C32 C31 P2 117.5(3) . . ?
C36 C31 P2 121.8(3) . . ?
C56 C51 C52 119.5(4) . . ?
C56 C51 P3 118.6(3) . . ?
C52 C51 P3 121.6(3) . . ?
C31 C32 C33 120.3(4) . . ?
C31 C32 H43 119.9 . . ?
C33 C32 H43 119.9 . . ?
N2 C17 C18 110.3(3) . . ?
N2 C17 C19 109.9(3) . . ?
C18 C17 C19 110.8(3) . . ?
N2 C17 C20 106.6(3) . . ?
C18 C17 C20 110.0(3) . . ?
C19 C17 C20 109.0(3) . . ?
N4 C37 C40 107.0(3) . . ?
N4 C37 C39 109.8(3) . . ?
C40 C37 C39 110.4(3) . . ?
N4 C37 C38 110.8(3) . . ?
C40 C37 C38 108.9(3) . . ?
C39 C37 C38 110.0(3) . . ?
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 . . ?
C11 C16 C15 120.7(4) . . ?
C11 C16 H19 119.6 . . ?
C15 C16 H19 119.6 . . ?
N1 C1 C4 106.9(3) . . ?
N1 C1 C3 109.8(3) . . ?
C4 C1 C3 110.0(3) . . ?
N1 C1 C2 109.3(3) . . ?
C4 C1 C2 109.9(3) . . ?
C3 C1 C2 110.8(3) . . ?
C9 C10 C5 119.2(4) . . ?
C9 C10 H14 120.4 . . ?
C5 C10 H14 120.4 . . ?
C6 C5 C10 120.2(3) . . ?
C6 C5 P1 117.7(3) . . ?
C10 C5 P1 121.8(3) . . ?
C11 C12 C13 119.8(4) . . ?
C11 C12 H15 120.1 . . ?
C13 C12 H15 120.1 . . ?
C51 C56 C55 120.5(4) . . ?
C51 C56 H75 119.8 . . ?
C55 C56 H75 119.8 . . ?
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 . . ?
C7 C6 C5 119.9(4) . . ?
C7 C6 H10 120.0 . . ?
C5 C6 H10 120.0 . . ?
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 . . ?
C49 C50 C45 119.7(4) . . ?
C49 C50 H70 120.2 . . ?
C45 C50 H70 120.2 . . ?
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 . . ?
C45 C46 C47 119.0(4) . . ?
C45 C46 H66 120.5 . . ?
C47 C46 H66 120.5 . . ?
C14 C15 C16 119.1(4) . . ?
C14 C15 H18 120.5 . . ?
C16 C15 H18 120.5 . . ?
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 . . ?
C53 C52 C51 119.9(4) . . ?
C53 C52 H71 120.0 . . ?
C51 C52 H71 120.0 . . ?
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 . . ?
C26 C27 C28 119.9(4) . . ?
C26 C27 H39 120.1 . . ?
C28 C27 H39 120.1 . . ?
C28 C29 C30 120.7(4) . . ?
C28 C29 H41 119.6 . . ?
C30 C29 H41 119.6 . . ?
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 . . ?
C57 C73 H99 109.5 . . ?
C57 C73 H100 109.5 . . ?
H99 C73 H100 109.5 . . ?
C57 C73 H101 109.5 . . ?
H99 C73 H101 109.5 . . ?
H100 C73 H101 109.5 . . ?
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 . . ?
C6 C7 C8 120.0(4) . . ?
C6 C7 H11 120.0 . . ?
C8 C7 H11 120.0 . . ?
C35 C36 C31 119.6(4) . . ?
C35 C36 H47 120.2 . . ?
C31 C36 H47 120.2 . . ?
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 . . ?
C13 C14 C15 120.8(4) . . ?
C13 C14 H17 119.6 . . ?
C15 C14 H17 119.6 . . ?
C54 C53 C52 119.8(4) . . ?
C54 C53 H72 120.1 . . ?
C52 C53 H72 120.1 . . ?
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 . . ?
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 . . ?
C75 C57 N6 114.3(5) . . ?
C59 C57 N6 112.7(4) . . ?
C59 C57 C58 114.8(6) . . ?
N6 C57 C58 107.3(5) . . ?
C75 C57 C73 113.4(6) . . ?
N6 C57 C73 107.4(5) . . ?
C75 C57 C74 108.5(5) . . ?
N6 C57 C74 106.4(4) . . ?
C73 C57 C74 106.4(5) . . ?
C59 C57 C60 107.2(5) . . ?
N6 C57 C60 106.9(4) . . ?
C58 C57 C60 107.4(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 . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H16 120.0 . . ?
C12 C13 H16 120.0 . . ?
C48 C49 C50 119.9(4) . . ?
C48 C49 H69 120.0 . . ?
C50 C49 H69 120.0 . . ?
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 . . ?
C34 C35 C36 120.2(4) . . ?
C34 C35 H46 119.9 . . ?
C36 C35 H46 119.9 . . ?
C29 C28 C27 120.4(4) . . ?
C29 C28 H40 119.8 . . ?
C27 C28 H40 119.8 . . ?
C35 C34 C33 120.7(4) . . ?
C35 C34 H45 119.6 . . ?
C33 C34 H45 119.6 . . ?
C9 C8 C7 120.4(4) . . ?
C9 C8 H12 119.8 . . ?
C7 C8 H12 119.8 . . ?
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 . . ?
C8 C9 C10 120.3(4) . . ?
C8 C9 H13 119.8 . . ?
C10 C9 H13 119.8 . . ?
C56 C55 C54 119.3(4) . . ?
C56 C55 H74 120.3 . . ?
C54 C55 H74 120.3 . . ?
C34 C33 C32 119.4(4) . . ?
C34 C33 H44 120.3 . . ?
C32 C33 H44 120.3 . . ?
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 . . ?
C48 C47 C46 121.1(4) . . ?
C48 C47 H67 119.5 . . ?
C46 C47 H67 119.5 . . ?
C65 C66 C61 120.3(4) . . ?
C65 C66 H90 119.9 . . ?
C61 C66 H90 119.9 . . ?
C53 C54 C55 120.9(4) . . ?
C53 C54 H73 119.6 . . ?
C55 C54 H73 119.6 . . ?
C62 C61 C66 119.6(4) . . ?
C62 C61 H85 120.2 . . ?
C66 C61 H85 120.2 . . ?
C47 C48 C49 120.5(4) . . ?
C47 C48 H68 119.8 . . ?
C49 C48 H68 119.8 . . ?
C67 C68 C69 120.6(5) . . ?
C67 C68 H93 119.7 . . ?
C69 C68 H93 119.7 . . ?
C64 C65 C66 119.7(5) . . ?
C64 C65 H89 120.2 . . ?
C66 C65 H89 120.2 . . ?
C64 C63 C62 120.1(5) . . ?
C64 C63 H87 119.9 . . ?
C62 C63 H87 119.9 . . ?
C65 C64 C63 120.6(5) . . ?
C65 C64 H88 119.7 . . ?
C63 C64 H88 119.7 . . ?
C61 C62 C63 119.7(5) . . ?
C61 C62 H86 120.1 . . ?
C63 C62 H86 120.1 . . ?
C70 C69 C68 130.4(7) . . ?
C68 C69 C76 111.6(7) . . ?
C70 C69 H94 114.8 . . ?
C68 C69 H94 114.8 . . ?
C68 C69 H95 124.2 . . ?
C76 C69 H95 124.2 . . ?
C78 C67 C68 130.8(8) . . ?
C68 C67 C72 111.8(6) . . ?
C68 C67 H91 124.1 . . ?
C72 C67 H91 124.1 . . ?
C78 C67 H92 114.6 . . ?
C68 C67 H92 114.6 . . ?
C57 C75 H105 109.5 . . ?
C57 C75 H106 109.5 . . ?
H105 C75 H106 109.5 . . ?
C57 C75 H107 109.5 . . ?
H105 C75 H107 109.5 . . ?
H106 C75 H107 109.5 . . ?
C70 C71 C72 119.8(8) . . ?
C70 C71 H97 120.1 . . ?
C72 C71 H97 120.1 . . ?
C69 C70 C71 112.4(8) . . ?
C69 C70 H96 123.8 . . ?
C71 C70 H96 123.8 . . ?
C57 C74 H102 109.5 . . ?
C57 C74 H103 109.5 . . ?
H102 C74 H103 109.5 . . ?
C57 C74 H104 109.5 . . ?
H102 C74 H104 109.5 . . ?
H103 C74 H104 109.5 . . ?
C71 C72 C67 124.9(8) . . ?
C71 C72 H98 117.5 . . ?
C67 C72 H98 117.5 . . ?
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 . . ?
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 . . ?
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 . . ?
C78 C77 C76 120.7(8) . . ?
C78 C77 H109 119.7 . . ?
C76 C77 H109 119.7 . . ?
C77 C76 C69 125.2(9) . . ?
C77 C76 H108 117.4 . . ?
C69 C76 H108 117.4 . . ?
C67 C78 C77 110.7(8) . . ?
C67 C78 H110 124.7 . . ?
C77 C78 H110 124.7 . . ?

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
N6 P3 N5 C41 -164.1(3) . . . . ?
C51 P3 N5 C41 78.4(3) . . . . ?
C45 P3 N5 C41 -46.2(4) . . . . ?
Si3 P3 N5 C41 -164.5(4) . . . . ?
N6 P3 N5 Si3 0.41(15) . . . . ?
C51 P3 N5 Si3 -117.11(16) . . . . ?
C45 P3 N5 Si3 118.32(17) . . . . ?
N6 Si3 N5 C41 164.5(3) . . . . ?
Pd1 Si3 N5 C41 -5.3(4) . . . . ?
Pd3 Si3 N5 C41 -87.6(3) . . . . ?
P3 Si3 N5 C41 164.8(4) . . . . ?
Pd4 Si3 N5 C41 66.4(3) . . . . ?
N6 Si3 N5 P3 -0.38(14) . . . . ?
Pd1 Si3 N5 P3 -170.20(9) . . . . ?
Pd3 Si3 N5 P3 107.51(11) . . . . ?
Pd4 Si3 N5 P3 -98.42(12) . . . . ?
N2 P1 N1 C1 -159.6(3) . . . . ?
C5 P1 N1 C1 -42.4(4) . . . . ?
C11 P1 N1 C1 84.3(3) . . . . ?
Si1 P1 N1 C1 -160.6(4) . . . . ?
N2 P1 N1 Si1 0.97(15) . . . . ?
C5 P1 N1 Si1 118.17(16) . . . . ?
C11 P1 N1 Si1 -115.08(16) . . . . ?
N2 Si1 N1 C1 159.9(3) . . . . ?
Pd1 Si1 N1 C1 -9.5(4) . . . . ?
Pd4 Si1 N1 C1 -90.5(3) . . . . ?
Pd2 Si1 N1 C1 68.9(3) . . . . ?
P1 Si1 N1 C1 160.8(4) . . . . ?
N2 Si1 N1 P1 -0.90(14) . . . . ?
Pd1 Si1 N1 P1 -170.34(8) . . . . ?
Pd4 Si1 N1 P1 108.61(12) . . . . ?
Pd2 Si1 N1 P1 -91.97(12) . . . . ?
N4 P2 N3 C21 163.3(3) . . . . ?
C25 P2 N3 C21 45.7(4) . . . . ?
C31 P2 N3 C21 -80.8(3) . . . . ?
Si2 P2 N3 C21 162.4(4) . . . . ?
N4 P2 N3 Si2 0.85(15) . . . . ?
C25 P2 N3 Si2 -116.75(16) . . . . ?
C31 P2 N3 Si2 116.74(16) . . . . ?
N4 Si2 N3 C21 -163.2(3) . . . . ?
Pd1 Si2 N3 C21 24.2(4) . . . . ?
Pd2 Si2 N3 C21 -62.3(3) . . . . ?
Pd3 Si2 N3 C21 94.4(3) . . . . ?
P2 Si2 N3 C21 -162.5(4) . . . . ?
N4 Si2 N3 P2 -0.78(14) . . . . ?
Pd1 Si2 N3 P2 -173.37(8) . . . . ?
Pd2 Si2 N3 P2 100.18(12) . . . . ?
Pd3 Si2 N3 P2 -103.08(11) . . . . ?
N1 P1 N2 C17 -165.1(3) . . . . ?
C5 P1 N2 C17 77.4(3) . . . . ?
C11 P1 N2 C17 -48.1(3) . . . . ?
Si1 P1 N2 C17 -164.1(4) . . . . ?
N1 P1 N2 Si1 -0.98(15) . . . . ?
C5 P1 N2 Si1 -118.44(16) . . . . ?
C11 P1 N2 Si1 116.06(16) . . . . ?
N1 Si1 N2 C17 164.7(3) . . . . ?
Pd1 Si1 N2 C17 -30.1(4) . . . . ?
Pd4 Si1 N2 C17 56.6(3) . . . . ?
Pd2 Si1 N2 C17 -83.6(3) . . . . ?
P1 Si1 N2 C17 163.8(4) . . . . ?
N1 Si1 N2 P1 0.90(14) . . . . ?
Pd1 Si1 N2 P1 166.11(11) . . . . ?
Pd4 Si1 N2 P1 -107.26(11) . . . . ?
Pd2 Si1 N2 P1 112.53(11) . . . . ?
N3 P2 N4 C37 162.5(3) . . . . ?
C25 P2 N4 C37 -80.2(3) . . . . ?
C31 P2 N4 C37 45.3(4) . . . . ?
Si2 P2 N4 C37 163.4(4) . . . . ?
N3 P2 N4 Si2 -0.85(15) . . . . ?
C25 P2 N4 Si2 116.40(16) . . . . ?
C31 P2 N4 Si2 -118.04(16) . . . . ?
N3 Si2 N4 C37 -162.5(3) . . . . ?
Pd1 Si2 N4 C37 8.8(4) . . . . ?
Pd2 Si2 N4 C37 83.7(3) . . . . ?
Pd3 Si2 N4 C37 -61.0(3) . . . . ?
P2 Si2 N4 C37 -163.3(4) . . . . ?
N3 Si2 N4 P2 0.78(14) . . . . ?
Pd1 Si2 N4 P2 172.10(10) . . . . ?
Pd2 Si2 N4 P2 -113.01(11) . . . . ?
Pd3 Si2 N4 P2 102.33(11) . . . . ?
N5 P3 N6 C57 -165.1(3) . . . . ?
C51 P3 N6 C57 -47.9(4) . . . . ?
C45 P3 N6 C57 76.1(4) . . . . ?
Si3 P3 N6 C57 -164.7(4) . . . . ?
N5 P3 N6 Si3 -0.41(15) . . . . ?
C51 P3 N6 Si3 116.72(17) . . . . ?
C45 P3 N6 Si3 -119.23(17) . . . . ?
N5 Si3 N6 C57 165.7(3) . . . . ?
Pd1 Si3 N6 C57 -25.0(4) . . . . ?
Pd3 Si3 N6 C57 57.3(3) . . . . ?
P3 Si3 N6 C57 165.3(4) . . . . ?
Pd4 Si3 N6 C57 -90.1(3) . . . . ?
N5 Si3 N6 P3 0.38(14) . . . . ?
Pd1 Si3 N6 P3 169.73(9) . . . . ?
Pd3 Si3 N6 P3 -108.03(12) . . . . ?
Pd4 Si3 N6 P3 104.60(12) . . . . ?
P3 N5 C41 C44 -39.5(4) . . . . ?
Si3 N5 C41 C44 161.0(3) . . . . ?
P3 N5 C41 C43 82.4(4) . . . . ?
Si3 N5 C41 C43 -77.1(4) . . . . ?
P3 N5 C41 C42 -158.3(3) . . . . ?
Si3 N5 C41 C42 42.2(4) . . . . ?
N4 P2 C25 C26 -20.4(3) . . . . ?
N3 P2 C25 C26 81.9(3) . . . . ?
C31 P2 C25 C26 -148.4(3) . . . . ?
Si2 P2 C25 C26 30.7(3) . . . . ?
N4 P2 C25 C30 169.2(3) . . . . ?
N3 P2 C25 C30 -88.5(3) . . . . ?
C31 P2 C25 C30 41.2(3) . . . . ?
Si2 P2 C25 C30 -139.7(3) . . . . ?
N1 P1 C11 C12 27.0(3) . . . . ?
N2 P1 C11 C12 -74.5(3) . . . . ?
C5 P1 C11 C12 156.9(3) . . . . ?
Si1 P1 C11 C12 -24.3(3) . . . . ?
N1 P1 C11 C16 -164.2(3) . . . . ?
N2 P1 C11 C16 94.3(3) . . . . ?
C5 P1 C11 C16 -34.3(3) . . . . ?
Si1 P1 C11 C16 144.4(3) . . . . ?
C30 C25 C26 C27 -1.5(6) . . . . ?
P2 C25 C26 C27 -171.9(3) . . . . ?
C26 C25 C30 C29 -0.5(6) . . . . ?
P2 C25 C30 C29 169.7(3) . . . . ?
N5 P3 C45 C46 -79.3(3) . . . . ?
N6 P3 C45 C46 23.6(4) . . . . ?
C51 P3 C45 C46 152.1(3) . . . . ?
Si3 P3 C45 C46 -27.6(4) . . . . ?
N5 P3 C45 C50 98.5(3) . . . . ?
N6 P3 C45 C50 -158.6(3) . . . . ?
C51 P3 C45 C50 -30.1(4) . . . . ?
Si3 P3 C45 C50 150.2(3) . . . . ?
P2 N3 C21 C24 167.4(3) . . . . ?
Si2 N3 C21 C24 -36.2(4) . . . . ?
P2 N3 C21 C23 48.8(4) . . . . ?
Si2 N3 C21 C23 -154.8(3) . . . . ?
P2 N3 C21 C22 -73.7(4) . . . . ?
Si2 N3 C21 C22 82.8(4) . . . . ?
N4 P2 C31 C32 70.6(3) . . . . ?
N3 P2 C31 C32 -31.0(3) . . . . ?
C25 P2 C31 C32 -160.5(3) . . . . ?
Si2 P2 C31 C32 20.4(3) . . . . ?
N4 P2 C31 C36 -98.4(3) . . . . ?
N3 P2 C31 C36 160.0(3) . . . . ?
C25 P2 C31 C36 30.5(3) . . . . ?
Si2 P2 C31 C36 -148.6(3) . . . . ?
N5 P3 C51 C56 22.7(3) . . . . ?
N6 P3 C51 C56 -79.4(3) . . . . ?
C45 P3 C51 C56 152.2(3) . . . . ?
Si3 P3 C51 C56 -28.1(3) . . . . ?
N5 P3 C51 C52 -162.9(3) . . . . ?
N6 P3 C51 C52 95.0(3) . . . . ?
C45 P3 C51 C52 -33.4(4) . . . . ?
Si3 P3 C51 C52 146.3(3) . . . . ?
C36 C31 C32 C33 0.6(5) . . . . ?
P2 C31 C32 C33 -168.6(3) . . . . ?
P1 N2 C17 C18 -54.4(4) . . . . ?
Si1 N2 C17 C18 147.1(3) . . . . ?
P1 N2 C17 C19 68.1(4) . . . . ?
Si1 N2 C17 C19 -90.4(4) . . . . ?
P1 N2 C17 C20 -173.8(3) . . . . ?
Si1 N2 C17 C20 27.6(4) . . . . ?
P2 N4 C37 C40 162.1(3) . . . . ?
Si2 N4 C37 C40 -40.2(4) . . . . ?
P2 N4 C37 C39 -78.1(4) . . . . ?
Si2 N4 C37 C39 79.6(4) . . . . ?
P2 N4 C37 C38 43.6(5) . . . . ?
Si2 N4 C37 C38 -158.7(3) . . . . ?
C12 C11 C16 C15 0.6(6) . . . . ?
P1 C11 C16 C15 -168.0(3) . . . . ?
P1 N1 C1 C4 -163.5(3) . . . . ?
Si1 N1 C1 C4 42.3(4) . . . . ?
P1 N1 C1 C3 -44.2(5) . . . . ?
Si1 N1 C1 C3 161.6(3) . . . . ?
P1 N1 C1 C2 77.6(4) . . . . ?
Si1 N1 C1 C2 -76.6(4) . . . . ?
C9 C10 C5 C6 -1.0(6) . . . . ?
C9 C10 C5 P1 -174.6(3) . . . . ?
N1 P1 C5 C6 -78.7(3) . . . . ?
N2 P1 C5 C6 23.5(3) . . . . ?
C11 P1 C5 C6 151.5(3) . . . . ?
Si1 P1 C5 C6 -27.2(4) . . . . ?
N1 P1 C5 C10 95.1(3) . . . . ?
N2 P1 C5 C10 -162.8(3) . . . . ?
C11 P1 C5 C10 -34.7(3) . . . . ?
Si1 P1 C5 C10 146.6(3) . . . . ?
C16 C11 C12 C13 -0.5(5) . . . . ?
P1 C11 C12 C13 168.5(3) . . . . ?
C52 C51 C56 C55 1.4(6) . . . . ?
P3 C51 C56 C55 175.9(3) . . . . ?
C10 C5 C6 C7 0.8(6) . . . . ?
P1 C5 C6 C7 174.7(3) . . . . ?
C46 C45 C50 C49 -1.8(6) . . . . ?
P3 C45 C50 C49 -179.5(3) . . . . ?
C50 C45 C46 C47 1.2(6) . . . . ?
P3 C45 C46 C47 179.0(3) . . . . ?
C11 C16 C15 C14 -0.3(6) . . . . ?
C56 C51 C52 C53 -2.3(6) . . . . ?
P3 C51 C52 C53 -176.7(3) . . . . ?
C25 C26 C27 C28 2.3(6) . . . . ?
C25 C30 C29 C28 1.7(6) . . . . ?
C5 C6 C7 C8 0.1(6) . . . . ?
C32 C31 C36 C35 -0.1(6) . . . . ?
P2 C31 C36 C35 168.7(3) . . . . ?
C16 C15 C14 C13 -0.1(6) . . . . ?
C51 C52 C53 C54 1.4(6) . . . . ?
P3 N6 C57 C75 49.0(7) . . . . ?
Si3 N6 C57 C75 -110.8(6) . . . . ?
P3 N6 C57 C59 -42.5(6) . . . . ?
Si3 N6 C57 C59 157.7(5) . . . . ?
P3 N6 C57 C58 -169.9(5) . . . . ?
Si3 N6 C57 C58 30.3(6) . . . . ?
P3 N6 C57 C73 175.8(5) . . . . ?
Si3 N6 C57 C73 16.0(6) . . . . ?
P3 N6 C57 C74 -70.7(5) . . . . ?
Si3 N6 C57 C74 129.5(5) . . . . ?
P3 N6 C57 C60 75.1(5) . . . . ?
Si3 N6 C57 C60 -84.7(5) . . . . ?
C15 C14 C13 C12 0.3(6) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C45 C50 C49 C48 0.6(7) . . . . ?
C31 C36 C35 C34 -0.9(7) . . . . ?
C30 C29 C28 C27 -0.9(7) . . . . ?
C26 C27 C28 C29 -1.2(7) . . . . ?
C36 C35 C34 C33 1.4(7) . . . . ?
C6 C7 C8 C9 -0.9(7) . . . . ?
C7 C8 C9 C10 0.8(7) . . . . ?
C5 C10 C9 C8 0.1(6) . . . . ?
C51 C56 C55 C54 0.4(6) . . . . ?
C35 C34 C33 C32 -0.9(7) . . . . ?
C31 C32 C33 C34 -0.1(6) . . . . ?
C45 C46 C47 C48 0.6(7) . . . . ?
C52 C53 C54 C55 0.5(7) . . . . ?
C56 C55 C54 C53 -1.4(7) . . . . ?
C65 C66 C61 C62 0.3(8) . . . . ?
C46 C47 C48 C49 -1.7(8) . . . . ?
C50 C49 C48 C47 1.1(7) . . . . ?
C61 C66 C65 C64 0.0(8) . . . . ?
C66 C65 C64 C63 -0.1(8) . . . . ?
C62 C63 C64 C65 -0.1(9) . . . . ?
C66 C61 C62 C63 -0.5(8) . . . . ?
C64 C63 C62 C61 0.4(9) . . . . ?
C67 C68 C69 C70 -4.8(11) . . . . ?
C67 C68 C69 C76 4.9(10) . . . . ?
C69 C68 C67 C78 -8.8(13) . . . . ?
C69 C68 C67 C72 2.2(9) . . . . ?
C68 C69 C70 C71 4.6(16) . . . . ?
C72 C71 C70 C69 -2.4(17) . . . . ?
C70 C71 C72 C67 1(2) . . . . ?
C68 C67 C72 C71 -0.7(16) . . . . ?
C78 C77 C76 C69 -2(2) . . . . ?
C68 C69 C76 C77 -0.1(18) . . . . ?
C68 C67 C78 C77 5.8(18) . . . . ?
C76 C77 C78 C67 0(2) . . . . ?

_refine_diff_density_max         1.418
_refine_diff_density_min         -0.917
_refine_diff_density_rms         0.119



