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

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

data_Pd7(CNtBu)8(SiPh2)2(SiPh)(SiPh3)
_database_code_depnum_ccdc_archive 'CCDC 2078821'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-04-20 deposited with the CCDC.	2021-07-06 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C88 H112 N8 Pd7 Si4'
_chemical_formula_moiety         'C88 H112 N8 Pd7 Si4'
_chemical_formula_weight         2139.05
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 -1/2+X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   23.5338(9)
_cell_length_b                   17.3277(6)
_cell_length_c                   26.3271(9)
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.647(4)
_cell_angle_gamma                90.0000
_cell_volume                     9978.7(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23135
_cell_measurement_theta_min      1.87
_cell_measurement_theta_max      31.23
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4296.00
_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_T_max  0.987

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            90976
_diffrn_reflns_av_unetI/netI     0.1638
_diffrn_reflns_av_R_equivalents  0.1038
_diffrn_reflns_theta_max         31.156
_diffrn_reflns_theta_min         1.874
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.896
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       38
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             28869
_reflns_number_gt                13479
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1753
_refine_ls_R_factor_gt           0.0662
_refine_ls_wR_factor_ref         0.1451
_refine_ls_wR_factor_gt          0.1119
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         28869
_refine_ls_number_parameters     952
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0552P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.11
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.56091(2) 0.64080(3) 0.39912(2) 0.02985(12) Uani 1 1 d . . . . .
Pd2 Pd 0.50714(2) 0.69281(3) 0.29388(2) 0.02759(11) Uani 1 1 d . . . . .
Pd3 Pd 0.46713(2) 0.84026(3) 0.26006(2) 0.03185(12) Uani 1 1 d . . . . .
Pd4 Pd 0.41823(2) 0.82735(3) 0.14912(2) 0.03915(14) Uani 1 1 d . . . . .
Pd5 Pd 0.42006(2) 0.67023(3) 0.12099(2) 0.03188(12) Uani 1 1 d . . . . .
Pd6 Pd 0.48010(2) 0.58418(3) 0.21432(2) 0.03129(12) Uani 1 1 d . . . . .
Pd7 Pd 0.52249(2) 0.73857(3) 0.19454(2) 0.03071(12) Uani 1 1 d . . . . .
Si1 Si 0.52683(8) 0.56212(10) 0.31127(7) 0.0306(4) Uani 1 1 d . . . . .
Si2 Si 0.52796(7) 0.77620(10) 0.36438(6) 0.0289(4) Uani 1 1 d . . . . .
Si3 Si 0.52311(8) 0.71142(11) 0.10809(7) 0.0353(4) Uani 1 1 d . . . . .
Si4 Si 0.42949(7) 0.71227(11) 0.21022(6) 0.0302(4) Uani 1 1 d . . . . .
N1 N 0.5724(3) 0.4779(4) 0.4551(2) 0.0476(15) Uani 1 1 d . . . . .
N2 N 0.6407(2) 0.7205(3) 0.5091(2) 0.0396(14) Uani 1 1 d . . . . .
N3 N 0.4587(2) 0.9731(3) 0.3363(2) 0.0383(13) Uani 1 1 d . . . . .
N4 N 0.4113(3) 0.9866(4) 0.1985(2) 0.0532(16) Uani 1 1 d . . . . .
N5 N 0.3380(3) 0.8729(4) 0.0278(2) 0.0577(18) Uani 1 1 d . . . . .
N6 N 0.3285(2) 0.5322(3) 0.1073(2) 0.0387(13) Uani 1 1 d . . . . .
N7 N 0.5066(3) 0.4241(3) 0.1709(2) 0.0389(13) Uani 1 1 d . . . . .
N8 N 0.6610(3) 0.7737(3) 0.2469(2) 0.0414(14) Uani 1 1 d . . . . .
C1 C 0.4724(3) 0.4848(4) 0.3161(2) 0.0442(18) Uani 1 1 d . . . . .
C2 C 0.4257(3) 0.5049(5) 0.3352(3) 0.057(2) Uani 1 1 d . . . . .
H2 H 0.424654 0.555475 0.348807 0.069 Uiso 1 1 calc R U . . .
C3 C 0.3810(4) 0.4513(7) 0.3345(4) 0.080(3) Uani 1 1 d . . . . .
H3 H 0.349143 0.465574 0.346621 0.096 Uiso 1 1 calc R U . . .
C4 C 0.3837(5) 0.3784(8) 0.3162(4) 0.100(4) Uani 1 1 d . . . . .
H4 H 0.353630 0.341956 0.316335 0.120 Uiso 1 1 calc R U . . .
C5 C 0.4290(6) 0.3556(5) 0.2972(3) 0.085(3) Uani 1 1 d . . . . .
H5 H 0.430226 0.304356 0.284815 0.103 Uiso 1 1 calc R U . . .
C6 C 0.4722(4) 0.4096(5) 0.2970(3) 0.060(2) Uani 1 1 d . . . . .
H6 H 0.502803 0.394973 0.283373 0.073 Uiso 1 1 calc R U . . .
C7 C 0.6031(3) 0.5155(4) 0.3198(2) 0.0340(15) Uani 1 1 d . . . . .
C8 C 0.6227(4) 0.4456(5) 0.3432(3) 0.052(2) Uani 1 1 d . . . . .
H8 H 0.595903 0.416879 0.355627 0.062 Uiso 1 1 calc R U . . .
C9 C 0.6790(4) 0.4133(6) 0.3502(3) 0.068(3) Uani 1 1 d . . . . .
H9 H 0.689954 0.363410 0.365737 0.081 Uiso 1 1 calc R U . . .
C10 C 0.7186(4) 0.4562(7) 0.3337(3) 0.071(3) Uani 1 1 d . . . . .
H10 H 0.757624 0.435838 0.337953 0.086 Uiso 1 1 calc R U . . .
C11 C 0.7021(4) 0.5273(6) 0.3115(3) 0.062(2) Uani 1 1 d . . . . .
H11 H 0.729691 0.557294 0.300933 0.074 Uiso 1 1 calc R U . . .
C12 C 0.6448(3) 0.5558(4) 0.3043(3) 0.0467(18) Uani 1 1 d . . . . .
H12 H 0.633579 0.605174 0.287980 0.056 Uiso 1 1 calc R U . . .
C13 C 0.4724(3) 0.7946(3) 0.4002(2) 0.0273(13) Uani 1 1 d . . . . .
C14 C 0.4097(3) 0.7853(4) 0.3702(2) 0.0373(16) Uani 1 1 d . . . . .
H14 H 0.396524 0.770502 0.332862 0.045 Uiso 1 1 calc R U . . .
C15 C 0.3661(3) 0.7971(4) 0.3937(3) 0.0408(17) Uani 1 1 d . . . . .
H15 H 0.323918 0.789840 0.372458 0.049 Uiso 1 1 calc R U . . .
C16 C 0.3840(3) 0.8194(4) 0.4477(3) 0.0418(17) Uani 1 1 d . . . . .
H16 H 0.354330 0.828568 0.463615 0.050 Uiso 1 1 calc R U . . .
C17 C 0.4456(3) 0.8283(4) 0.4783(3) 0.0394(16) Uani 1 1 d . . . . .
H17 H 0.458332 0.843307 0.515576 0.047 Uiso 1 1 calc R U . . .
C18 C 0.4887(3) 0.8154(4) 0.4552(2) 0.0344(15) Uani 1 1 d . . . . .
H18 H 0.530773 0.820801 0.477333 0.041 Uiso 1 1 calc R U . . .
C19 C 0.5946(3) 0.8464(4) 0.3938(2) 0.0324(15) Uani 1 1 d . . . . .
C20 C 0.5939(3) 0.9118(4) 0.4239(3) 0.0395(16) Uani 1 1 d . . . . .
H20 H 0.558064 0.923479 0.430889 0.047 Uiso 1 1 calc R U . . .
C21 C 0.6443(3) 0.9608(4) 0.4443(3) 0.0506(19) Uani 1 1 d . . . . .
H21 H 0.642937 1.004396 0.465719 0.061 Uiso 1 1 calc R U . . .
C22 C 0.6949(3) 0.9462(5) 0.4334(3) 0.052(2) Uani 1 1 d . . . . .
H22 H 0.729428 0.979286 0.447250 0.063 Uiso 1 1 calc R U . . .
C23 C 0.6965(3) 0.8835(5) 0.4025(3) 0.054(2) Uani 1 1 d . . . . .
H23 H 0.731801 0.874055 0.394114 0.065 Uiso 1 1 calc R U . . .
C24 C 0.6469(3) 0.8333(4) 0.3831(3) 0.0416(17) Uani 1 1 d . . . . .
H24 H 0.649160 0.789396 0.362333 0.050 Uiso 1 1 calc R U . . .
C25 C 0.4633(3) 0.6507(4) 0.0529(2) 0.0337(15) Uani 1 1 d . . . . .
C26 C 0.4088(3) 0.6855(5) 0.0190(3) 0.0510(19) Uani 1 1 d . . . . .
H26 H 0.402061 0.738834 0.023050 0.061 Uiso 1 1 calc R U . . .
C27 C 0.3638(4) 0.6413(6) -0.0214(3) 0.070(3) Uani 1 1 d . . . . .
H27 H 0.327444 0.665667 -0.044921 0.084 Uiso 1 1 calc R U . . .
C28 C 0.3716(4) 0.5659(6) -0.0269(3) 0.067(3) Uani 1 1 d . . . . .
H28 H 0.341087 0.537124 -0.054289 0.080 Uiso 1 1 calc R U . . .
C29 C 0.4239(4) 0.5301(5) 0.0071(3) 0.056(2) Uani 1 1 d . . . . .
H29 H 0.429566 0.476466 0.003066 0.067 Uiso 1 1 calc R U . . .
C30 C 0.4689(3) 0.5723(4) 0.0476(3) 0.0423(17) Uani 1 1 d . . . . .
H30 H 0.503997 0.546344 0.071816 0.051 Uiso 1 1 calc R U . . .
C31 C 0.5961(3) 0.6540(4) 0.1200(3) 0.0429(18) Uani 1 1 d . . . . .
C32 C 0.6170(3) 0.5979(4) 0.1601(3) 0.0462(18) Uani 1 1 d . . . . .
H32 H 0.593998 0.587883 0.182433 0.055 Uiso 1 1 calc R U . . .
C33 C 0.6688(4) 0.5565(5) 0.1689(3) 0.061(2) Uani 1 1 d . . . . .
H33 H 0.681150 0.518533 0.196939 0.073 Uiso 1 1 calc R U . . .
C34 C 0.7035(4) 0.5691(6) 0.1376(4) 0.074(3) Uani 1 1 d . . . . .
H34 H 0.739922 0.540569 0.144102 0.089 Uiso 1 1 calc R U . . .
C35 C 0.6849(4) 0.6231(6) 0.0973(4) 0.075(3) Uani 1 1 d . . . . .
H35 H 0.708464 0.631962 0.075299 0.091 Uiso 1 1 calc R U . . .
C36 C 0.6319(4) 0.6652(5) 0.0880(3) 0.061(2) Uani 1 1 d . . . . .
H36 H 0.619466 0.702370 0.059434 0.074 Uiso 1 1 calc R U . . .
C37 C 0.5304(4) 0.7997(5) 0.0692(3) 0.055(2) Uani 1 1 d . . . . .
C38 C 0.5186(4) 0.7992(5) 0.0129(3) 0.056(2) Uani 1 1 d . . . . .
H38 H 0.503701 0.752964 -0.006938 0.067 Uiso 1 1 calc R U . . .
C39 C 0.5274(5) 0.8607(5) -0.0146(3) 0.082(3) Uani 1 1 d . . . . .
C40 C 0.5288(8) 0.9344(9) 0.0071(7) 0.076(4) Uiso 0.6 1 d . . P . .
C41 C 0.5338(8) 0.9419(9) 0.0612(7) 0.081(5) Uiso 0.6 1 d . . P . .
C42 C 0.5318(7) 0.8762(8) 0.0905(6) 0.063(4) Uiso 0.6 1 d . . P . .
C43 C 0.5745(9) 0.9159(10) 0.0186(7) 0.044(4) Uiso 0.4 1 d . . P . .
C44 C 0.5882(8) 0.9177(10) 0.0737(7) 0.047(4) Uiso 0.4 1 d . . P . .
C45 C 0.5738(7) 0.8560(9) 0.0996(6) 0.030(3) Uiso 0.4 1 d . . P . .
C46 C 0.3554(3) 0.7066(4) 0.2220(2) 0.0343(15) Uani 1 1 d . . . . .
C47 C 0.3213(3) 0.7696(5) 0.2256(2) 0.0449(18) Uani 1 1 d . . . . .
H47 H 0.332528 0.818871 0.216597 0.054 Uiso 1 1 calc R U . . .
C48 C 0.2714(3) 0.7651(6) 0.2415(3) 0.056(2) Uani 1 1 d . . . . .
H48 H 0.249441 0.810073 0.243859 0.067 Uiso 1 1 calc R U . . .
C49 C 0.2546(3) 0.6933(7) 0.2539(3) 0.069(3) Uani 1 1 d . . . . .
H49 H 0.220255 0.688662 0.264462 0.082 Uiso 1 1 calc R U . . .
C50 C 0.2864(3) 0.6297(6) 0.2510(3) 0.063(2) Uani 1 1 d . . . . .
H50 H 0.274465 0.580650 0.259911 0.075 Uiso 1 1 calc R U . . .
C51 C 0.3362(3) 0.6355(5) 0.2353(3) 0.0470(18) Uani 1 1 d . . . . .
H51 H 0.357913 0.590041 0.233489 0.056 Uiso 1 1 calc R U . . .
C52 C 0.5698(3) 0.5340(5) 0.4317(3) 0.0438(17) Uani 1 1 d . . . . .
C53 C 0.5754(4) 0.4040(5) 0.4824(3) 0.059(2) Uani 1 1 d . . . . .
C54 C 0.6155(11) 0.3499(12) 0.4683(9) 0.079(6) Uiso 0.5 1 d . . P . .
C55 C 0.5946(10) 0.4213(11) 0.5442(8) 0.072(5) Uiso 0.5 1 d . . P . .
C56 C 0.5098(9) 0.3728(11) 0.4611(8) 0.081(6) Uiso 0.5 1 d . . P . .
C57 C 0.5527(16) 0.4076(18) 0.5233(14) 0.146(11) Uiso 0.5 1 d . . P . .
C58 C 0.5658(14) 0.3391(15) 0.4432(12) 0.121(8) Uiso 0.5 1 d . . P . .
C59 C 0.6433(14) 0.3825(17) 0.5000(13) 0.134(10) Uiso 0.5 1 d . . P . .
C60 C 0.6066(3) 0.6993(4) 0.4679(2) 0.0346(15) Uani 1 1 d . . . . .
C61 C 0.6857(3) 0.7372(4) 0.5638(2) 0.0424(17) Uani 1 1 d . . . . .
C62 C 0.7114(3) 0.6602(4) 0.5901(3) 0.0495(19) Uani 1 1 d . . . . .
H62A H 0.741712 0.669077 0.626826 0.059 Uiso 1 1 calc R U . . .
H62B H 0.678141 0.628138 0.592476 0.059 Uiso 1 1 calc R U . . .
H62C H 0.730798 0.633748 0.567801 0.059 Uiso 1 1 calc R U . . .
C63 C 0.6503(4) 0.7780(5) 0.5954(3) 0.082(3) Uani 1 1 d . . . . .
H63A H 0.678590 0.790426 0.632400 0.099 Uiso 1 1 calc R U . . .
H63B H 0.631911 0.825591 0.576324 0.099 Uiso 1 1 calc R U . . .
H63C H 0.618133 0.743693 0.597440 0.099 Uiso 1 1 calc R U . . .
C64 C 0.7345(4) 0.7874(5) 0.5576(4) 0.083(3) Uani 1 1 d . . . . .
H64A H 0.765015 0.799220 0.593791 0.100 Uiso 1 1 calc R U . . .
H64B H 0.754175 0.760251 0.535847 0.100 Uiso 1 1 calc R U . . .
H64C H 0.716220 0.835441 0.539191 0.100 Uiso 1 1 calc R U . . .
C65 C 0.4696(3) 0.9215(4) 0.3133(2) 0.0350(15) Uani 1 1 d . . . . .
C66 C 0.4342(3) 1.0376(4) 0.3561(3) 0.0452(18) Uani 1 1 d . . . . .
C67 C 0.4416(4) 1.0203(4) 0.4163(3) 0.054(2) Uani 1 1 d . . . . .
H67A H 0.425164 1.063501 0.430630 0.064 Uiso 1 1 calc R U . . .
H67B H 0.419292 0.973027 0.417500 0.064 Uiso 1 1 calc R U . . .
H67C H 0.485038 1.013533 0.438595 0.064 Uiso 1 1 calc R U . . .
C68 C 0.4699(4) 1.1087(4) 0.3538(3) 0.065(2) Uani 1 1 d . . . . .
H68A H 0.453779 1.153148 0.367174 0.077 Uiso 1 1 calc R U . . .
H68B H 0.513049 1.101162 0.376757 0.077 Uiso 1 1 calc R U . . .
H68C H 0.466137 1.118008 0.315980 0.077 Uiso 1 1 calc R U . . .
C69 C 0.3674(4) 1.0437(5) 0.3206(3) 0.065(2) Uani 1 1 d . . . . .
H69A H 0.349137 1.087071 0.332964 0.078 Uiso 1 1 calc R U . . .
H69B H 0.363216 1.052074 0.282583 0.078 Uiso 1 1 calc R U . . .
H69C H 0.346511 0.995766 0.323214 0.078 Uiso 1 1 calc R U . . .
C70 C 0.4259(4) 0.9215(5) 0.1978(3) 0.060(2) Uani 1 1 d . . . . .
C71 C 0.3835(4) 1.0459(5) 0.1567(3) 0.064(2) Uani 1 1 d . . . . .
C72 C 0.3902(5) 1.1211(5) 0.1841(3) 0.083(3) Uani 1 1 d . . . . .
H72A H 0.371934 1.161397 0.156769 0.100 Uiso 1 1 calc R U . . .
H72B H 0.369479 1.119827 0.210203 0.100 Uiso 1 1 calc R U . . .
H72C H 0.433715 1.132295 0.203471 0.100 Uiso 1 1 calc R U . . .
C73 C 0.3160(4) 1.0245(5) 0.1288(4) 0.079(3) Uani 1 1 d . . . . .
H73A H 0.312603 0.974259 0.110805 0.095 Uiso 1 1 calc R U . . .
H73B H 0.297049 1.021746 0.156185 0.095 Uiso 1 1 calc R U . . .
H73C H 0.295226 1.063808 0.101489 0.095 Uiso 1 1 calc R U . . .
C74 C 0.4160(4) 1.0476(6) 0.1168(3) 0.080(3) Uani 1 1 d . . . . .
H74A H 0.411486 0.997463 0.098531 0.096 Uiso 1 1 calc R U . . .
H74B H 0.397998 1.087964 0.089457 0.096 Uiso 1 1 calc R U . . .
H74C H 0.459435 1.058586 0.136466 0.096 Uiso 1 1 calc R U . . .
C75 C 0.3670(4) 0.8558(4) 0.0721(3) 0.052(2) Uani 1 1 d . . . . .
C76 C 0.3035(5) 0.8988(6) -0.0280(3) 0.082(3) Uani 1 1 d . . . . .
C77 C 0.2692(8) 0.9684(10) -0.0256(7) 0.082(5) Uiso 0.6 1 d . . P . .
C78 C 0.2481(6) 0.8300(9) -0.0536(5) 0.052(4) Uiso 0.6 1 d . . P . .
C79 C 0.3432(10) 0.9037(12) -0.0582(9) 0.082(8) Uiso 0.6 1 d . . P . .
C80 C 0.3464(8) 0.8797(12) -0.0605(7) 0.025(4) Uiso 0.4 1 d . . P . .
C81 C 0.3077(11) 0.9999(13) -0.0214(9) 0.067(6) Uiso 0.4 1 d . . P . .
C82 C 0.2466(13) 0.8718(17) -0.0514(11) 0.083(8) Uiso 0.4 1 d . . P . .
C83 C 0.3581(3) 0.5867(4) 0.1094(3) 0.0399(16) Uani 1 1 d . . . . .
C84 C 0.2964(3) 0.4634(4) 0.1104(3) 0.0498(19) Uani 1 1 d . . . . .
C85 C 0.2327(4) 0.4890(5) 0.1055(4) 0.081(3) Uani 1 1 d . . . . .
H85A H 0.208517 0.443770 0.107378 0.098 Uiso 1 1 calc R U . . .
H85B H 0.235881 0.524350 0.135516 0.098 Uiso 1 1 calc R U . . .
H85C H 0.212569 0.515426 0.070511 0.098 Uiso 1 1 calc R U . . .
C86 C 0.3296(4) 0.4242(5) 0.1638(3) 0.074(3) Uani 1 1 d . . . . .
H86A H 0.307749 0.376974 0.166143 0.089 Uiso 1 1 calc R U . . .
H86B H 0.371083 0.411066 0.166474 0.089 Uiso 1 1 calc R U . . .
H86C H 0.331653 0.458900 0.193851 0.089 Uiso 1 1 calc R U . . .
C87 C 0.2904(4) 0.4122(5) 0.0607(4) 0.074(3) Uani 1 1 d . . . . .
H87A H 0.268479 0.364748 0.062208 0.089 Uiso 1 1 calc R U . . .
H87B H 0.267776 0.440228 0.026952 0.089 Uiso 1 1 calc R U . . .
H87C H 0.331260 0.399239 0.061490 0.089 Uiso 1 1 calc R U . . .
C88 C 0.4972(3) 0.4826(4) 0.1869(2) 0.0370(16) Uani 1 1 d . . . . .
C89 C 0.5244(4) 0.3522(5) 0.1546(4) 0.062(2) Uani 1 1 d . . . . .
C90 C 0.4748(9) 0.2939(11) 0.1422(10) 0.120(6) Uiso 0.7 1 d . . P . .
C91 C 0.5602(6) 0.3663(7) 0.1157(5) 0.071(4) Uiso 0.7 1 d . . P . .
C92 C 0.5747(8) 0.3156(9) 0.2088(7) 0.099(5) Uiso 0.7 1 d . . P . .
C93 C 0.588(2) 0.349(2) 0.1692(19) 0.120(14) Uiso 0.3 1 d . . P . .
C94 C 0.503(2) 0.284(2) 0.1898(19) 0.117(13) Uiso 0.3 1 d . . P . .
C95 C 0.4615(12) 0.3151(15) 0.1065(12) 0.053(7) Uiso 0.3 1 d . . P . .
C96 C 0.6096(3) 0.7622(4) 0.2292(2) 0.0358(15) Uani 1 1 d . . . . .
C97 C 0.7262(3) 0.7907(5) 0.2619(3) 0.0501(19) Uani 1 1 d . . . . .
C98 C 0.7408(4) 0.7656(5) 0.2109(3) 0.068(2) Uani 1 1 d . . . . .
H98A H 0.784063 0.775346 0.217875 0.081 Uiso 1 1 calc R U . . .
H98B H 0.732132 0.710479 0.204001 0.081 Uiso 1 1 calc R U . . .
H98C H 0.715384 0.795333 0.178925 0.081 Uiso 1 1 calc R U . . .
C99 C 0.7355(4) 0.8750(5) 0.2716(3) 0.067(2) Uani 1 1 d . . . . .
H99A H 0.778925 0.887297 0.281661 0.081 Uiso 1 1 calc R U . . .
H99B H 0.711504 0.902991 0.238207 0.081 Uiso 1 1 calc R U . . .
H99C H 0.722193 0.890314 0.301284 0.081 Uiso 1 1 calc R U . . .
C100 C 0.7609(4) 0.7425(5) 0.3126(3) 0.073(3) Uani 1 1 d . . . . .
H10A H 0.804805 0.752396 0.323950 0.087 Uiso 1 1 calc R U . . .
H10B H 0.747202 0.756730 0.342322 0.087 Uiso 1 1 calc R U . . .
H10C H 0.752745 0.687636 0.304079 0.087 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C60 2.007(6) . ?
Pd1 C52 2.018(8) . ?
Pd1 Si2 2.5336(18) . ?
Pd1 Si1 2.5461(17) . ?
Pd1 Pd2 2.7393(6) . ?
Pd2 Si2 2.2586(17) . ?
Pd2 Si4 2.3097(16) . ?
Pd2 Si1 2.3230(18) . ?
Pd2 Pd6 2.7114(6) . ?
Pd2 Pd3 2.7546(7) . ?
Pd2 Pd7 2.8803(6) . ?
Pd3 C65 1.973(7) . ?
Pd3 C70 2.106(7) . ?
Pd3 Si4 2.5627(18) . ?
Pd3 Pd4 2.7249(6) . ?
Pd3 Si2 2.8149(16) . ?
Pd3 Pd7 3.0716(7) . ?
Pd4 C75 2.002(7) . ?
Pd4 C70 2.041(7) . ?
Pd4 Si4 2.5139(18) . ?
Pd4 Pd7 2.7663(7) . ?
Pd4 Pd5 2.8261(7) . ?
Pd5 C83 1.996(8) . ?
Pd5 C25 2.389(6) . ?
Pd5 Si4 2.3902(16) . ?
Pd5 C26 2.613(7) . ?
Pd5 Si3 2.6674(18) . ?
Pd5 Pd7 2.7422(7) . ?
Pd5 Pd6 2.7741(7) . ?
Pd6 C88 2.000(7) . ?
Pd6 Si1 2.4082(17) . ?
Pd6 Si4 2.5021(19) . ?
Pd6 Pd7 2.9676(7) . ?
Pd7 C96 1.956(7) . ?
Pd7 Si3 2.3295(17) . ?
Pd7 Si4 2.4154(17) . ?
Si1 C1 1.889(7) . ?
Si1 C7 1.905(7) . ?
Si2 C13 1.900(6) . ?
Si2 C19 1.909(6) . ?
Si3 C37 1.882(7) . ?
Si3 C31 1.907(7) . ?
Si3 C25 1.921(6) . ?
Si4 C46 1.882(6) . ?
N1 C52 1.141(8) . ?
N1 C53 1.458(9) . ?
N2 C60 1.144(7) . ?
N2 C61 1.468(7) . ?
N3 C65 1.159(8) . ?
N3 C66 1.441(9) . ?
N4 C70 1.181(8) . ?
N4 C71 1.472(10) . ?
N5 C75 1.151(8) . ?
N5 C76 1.462(9) . ?
N6 C83 1.164(8) . ?
N6 C84 1.429(9) . ?
N7 C88 1.149(8) . ?
N7 C89 1.429(9) . ?
N8 C96 1.142(8) . ?
N8 C97 1.466(8) . ?
C1 C6 1.397(10) . ?
C1 C2 1.411(10) . ?
C2 C3 1.398(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.362(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(12) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.360(9) . ?
C7 C12 1.383(9) . ?
C8 C9 1.388(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.359(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(10) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.402(8) . ?
C13 C14 1.404(8) . ?
C14 C15 1.395(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.381(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.384(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.377(9) . ?
C19 C20 1.386(9) . ?
C20 C21 1.396(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.348(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.365(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.393(9) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.377(9) . ?
C25 C26 1.400(9) . ?
C26 C27 1.419(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.333(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.375(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.400(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.384(10) . ?
C31 C36 1.409(9) . ?
C32 C33 1.360(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.374(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.360(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(11) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.406(9) . ?
C37 C45 1.425(17) . ?
C37 C42 1.435(16) . ?
C38 C39 1.346(10) . ?
C38 H38 0.9500 . ?
C39 C40 1.394(17) . ?
C39 C43 1.48(2) . ?
C40 C43 1.05(2) . ?
C40 C41 1.39(2) . ?
C40 C44 1.82(2) . ?
C41 C44 1.27(2) . ?
C41 C42 1.39(2) . ?
C41 C43 1.78(2) . ?
C41 C45 1.85(2) . ?
C42 C45 0.990(17) . ?
C42 C44 1.71(2) . ?
C43 C44 1.37(2) . ?
C44 C45 1.38(2) . ?
C46 C47 1.379(9) . ?
C46 C51 1.402(9) . ?
C47 C48 1.387(9) . ?
C47 H47 0.9500 . ?
C48 C49 1.379(12) . ?
C48 H48 0.9500 . ?
C49 C50 1.350(12) . ?
C49 H49 0.9500 . ?
C50 C51 1.384(10) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C53 C57 1.37(3) . ?
C53 C54 1.47(2) . ?
C53 C58 1.49(3) . ?
C53 C56 1.53(2) . ?
C53 C59 1.54(3) . ?
C53 C55 1.55(2) . ?
C54 C59 1.02(3) . ?
C54 C58 1.13(3) . ?
C55 C57 0.96(3) . ?
C55 C59 2.03(4) . ?
C56 C58 1.66(3) . ?
C56 C57 1.69(4) . ?
C58 C59 2.03(4) . ?
C61 C64 1.496(11) . ?
C61 C62 1.522(9) . ?
C61 C63 1.546(11) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C66 C68 1.505(10) . ?
C66 C69 1.506(10) . ?
C66 C67 1.558(9) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C71 C72 1.470(11) . ?
C71 C74 1.509(11) . ?
C71 C73 1.529(12) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C76 C82 1.34(3) . ?
C76 C79 1.44(2) . ?
C76 C77 1.465(18) . ?
C76 C80 1.58(2) . ?
C76 C78 1.710(18) . ?
C76 C81 1.76(2) . ?
C77 C81 1.03(2) . ?
C77 C82 1.81(3) . ?
C78 C82 0.73(3) . ?
C84 C86 1.497(10) . ?
C84 C85 1.523(10) . ?
C84 C87 1.542(10) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C89 C93 1.39(5) . ?
C89 C90 1.49(2) . ?
C89 C91 1.568(15) . ?
C89 C92 1.610(18) . ?
C89 C95 1.68(3) . ?
C89 C94 1.68(4) . ?
C90 C95 0.95(3) . ?
C90 C94 1.20(4) . ?
C91 C93 1.35(5) . ?
C92 C93 1.32(4) . ?
C92 C94 1.66(5) . ?
C97 C99 1.485(11) . ?
C97 C100 1.530(11) . ?
C97 C98 1.565(10) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 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
C60 Pd1 C52 98.2(3) . . ?
C60 Pd1 Si2 81.33(18) . . ?
C52 Pd1 Si2 166.6(2) . . ?
C60 Pd1 Si1 167.06(19) . . ?
C52 Pd1 Si1 81.00(19) . . ?
Si2 Pd1 Si1 102.47(5) . . ?
C60 Pd1 Pd2 129.85(18) . . ?
C52 Pd1 Pd2 131.95(19) . . ?
Si2 Pd1 Pd2 50.54(4) . . ?
Si1 Pd1 Pd2 51.99(4) . . ?
Si2 Pd2 Si4 123.08(6) . . ?
Si2 Pd2 Si1 119.64(6) . . ?
Si4 Pd2 Si1 111.12(6) . . ?
Si2 Pd2 Pd6 175.43(5) . . ?
Si4 Pd2 Pd6 59.13(5) . . ?
Si1 Pd2 Pd6 56.52(4) . . ?
Si2 Pd2 Pd1 60.00(4) . . ?
Si4 Pd2 Pd1 156.98(5) . . ?
Si1 Pd2 Pd1 59.72(4) . . ?
Pd6 Pd2 Pd1 116.24(2) . . ?
Si2 Pd2 Pd3 67.48(4) . . ?
Si4 Pd2 Pd3 60.04(5) . . ?
Si1 Pd2 Pd3 170.90(5) . . ?
Pd6 Pd2 Pd3 116.06(2) . . ?
Pd1 Pd2 Pd3 127.40(2) . . ?
Si2 Pd2 Pd7 120.54(5) . . ?
Si4 Pd2 Pd7 54.13(4) . . ?
Si1 Pd2 Pd7 111.38(4) . . ?
Pd6 Pd2 Pd7 64.023(17) . . ?
Pd1 Pd2 Pd7 147.47(2) . . ?
Pd3 Pd2 Pd7 66.019(17) . . ?
C65 Pd3 C70 87.7(2) . . ?
C65 Pd3 Si4 153.60(19) . . ?
C70 Pd3 Si4 102.0(2) . . ?
C65 Pd3 Pd4 135.29(18) . . ?
C70 Pd3 Pd4 47.90(18) . . ?
Si4 Pd3 Pd4 56.67(4) . . ?
C65 Pd3 Pd2 121.00(18) . . ?
C70 Pd3 Pd2 151.14(18) . . ?
Si4 Pd3 Pd2 51.34(4) . . ?
Pd4 Pd3 Pd2 103.25(2) . . ?
C65 Pd3 Si2 73.54(18) . . ?
C70 Pd3 Si2 160.96(18) . . ?
Si4 Pd3 Si2 96.53(5) . . ?
Pd4 Pd3 Si2 151.06(4) . . ?
Pd2 Pd3 Si2 47.83(4) . . ?
C65 Pd3 Pd7 154.29(19) . . ?
C70 Pd3 Pd7 96.6(2) . . ?
Si4 Pd3 Pd7 49.77(4) . . ?
Pd4 Pd3 Pd7 56.631(16) . . ?
Pd2 Pd3 Pd7 58.957(16) . . ?
Si2 Pd3 Pd7 98.82(4) . . ?
C75 Pd4 C70 108.7(3) . . ?
C75 Pd4 Si4 136.5(2) . . ?
C70 Pd4 Si4 105.6(2) . . ?
C75 Pd4 Pd3 157.6(2) . . ?
C70 Pd4 Pd3 49.95(19) . . ?
Si4 Pd4 Pd3 58.41(4) . . ?
C75 Pd4 Pd7 133.0(2) . . ?
C70 Pd4 Pd7 108.3(2) . . ?
Si4 Pd4 Pd7 54.19(4) . . ?
Pd3 Pd4 Pd7 68.020(18) . . ?
C75 Pd4 Pd5 91.9(2) . . ?
C70 Pd4 Pd5 158.1(2) . . ?
Si4 Pd4 Pd5 52.79(4) . . ?
Pd3 Pd4 Pd5 108.58(2) . . ?
Pd7 Pd4 Pd5 58.715(17) . . ?
C83 Pd5 C25 105.8(2) . . ?
C83 Pd5 Si4 99.71(19) . . ?
C25 Pd5 Si4 150.41(15) . . ?
C83 Pd5 C26 97.2(2) . . ?
C25 Pd5 C26 32.1(2) . . ?
Si4 Pd5 C26 156.43(18) . . ?
C83 Pd5 Si3 145.25(19) . . ?
C25 Pd5 Si3 44.24(15) . . ?
Si4 Pd5 Si3 106.52(6) . . ?
C26 Pd5 Si3 66.04(16) . . ?
C83 Pd5 Pd7 145.38(19) . . ?
C25 Pd5 Pd7 94.83(15) . . ?
Si4 Pd5 Pd7 55.64(4) . . ?
C26 Pd5 Pd7 114.27(17) . . ?
Si3 Pd5 Pd7 50.99(4) . . ?
C83 Pd5 Pd6 81.36(19) . . ?
C25 Pd5 Pd6 111.69(16) . . ?
Si4 Pd5 Pd6 57.38(4) . . ?
C26 Pd5 Pd6 142.20(17) . . ?
Si3 Pd5 Pd6 93.82(4) . . ?
Pd7 Pd5 Pd6 65.088(18) . . ?
C83 Pd5 Pd4 131.13(18) . . ?
C25 Pd5 Pd4 112.65(17) . . ?
Si4 Pd5 Pd4 56.89(5) . . ?
C26 Pd5 Pd4 99.55(18) . . ?
Si3 Pd5 Pd4 82.99(5) . . ?
Pd7 Pd5 Pd4 59.555(18) . . ?
Pd6 Pd5 Pd4 109.74(2) . . ?
C88 Pd6 Si1 99.75(18) . . ?
C88 Pd6 Si4 157.12(18) . . ?
Si1 Pd6 Si4 102.16(6) . . ?
C88 Pd6 Pd2 150.38(18) . . ?
Si1 Pd6 Pd2 53.57(4) . . ?
Si4 Pd6 Pd2 52.41(4) . . ?
C88 Pd6 Pd5 104.92(17) . . ?
Si1 Pd6 Pd5 155.28(5) . . ?
Si4 Pd6 Pd5 53.57(4) . . ?
Pd2 Pd6 Pd5 102.06(2) . . ?
C88 Pd6 Pd7 127.20(18) . . ?
Si1 Pd6 Pd7 106.11(4) . . ?
Si4 Pd6 Pd7 51.56(4) . . ?
Pd2 Pd6 Pd7 60.755(16) . . ?
Pd5 Pd6 Pd7 56.937(16) . . ?
C96 Pd7 Si3 96.61(18) . . ?
C96 Pd7 Si4 145.07(18) . . ?
Si3 Pd7 Si4 117.48(6) . . ?
C96 Pd7 Pd5 156.55(18) . . ?
Si3 Pd7 Pd5 62.84(5) . . ?
Si4 Pd7 Pd5 54.78(4) . . ?
C96 Pd7 Pd4 134.05(19) . . ?
Si3 Pd7 Pd4 90.82(5) . . ?
Si4 Pd7 Pd4 57.57(4) . . ?
Pd5 Pd7 Pd4 61.731(18) . . ?
C96 Pd7 Pd2 95.45(18) . . ?
Si3 Pd7 Pd2 151.60(5) . . ?
Si4 Pd7 Pd2 50.79(4) . . ?
Pd5 Pd7 Pd2 98.64(2) . . ?
Pd4 Pd7 Pd2 99.05(2) . . ?
C96 Pd7 Pd6 118.00(19) . . ?
Si3 Pd7 Pd6 96.49(5) . . ?
Si4 Pd7 Pd6 54.23(5) . . ?
Pd5 Pd7 Pd6 57.975(16) . . ?
Pd4 Pd7 Pd6 105.97(2) . . ?
Pd2 Pd7 Pd6 55.222(15) . . ?
C96 Pd7 Pd3 101.91(17) . . ?
Si3 Pd7 Pd3 145.22(5) . . ?
Si4 Pd7 Pd3 54.10(4) . . ?
Pd5 Pd7 Pd3 101.52(2) . . ?
Pd4 Pd7 Pd3 55.350(16) . . ?
Pd2 Pd7 Pd3 55.024(15) . . ?
Pd6 Pd7 Pd3 100.304(18) . . ?
C1 Si1 C7 108.9(3) . . ?
C1 Si1 Pd2 127.8(2) . . ?
C7 Si1 Pd2 123.2(2) . . ?
C1 Si1 Pd6 97.36(19) . . ?
C7 Si1 Pd6 103.57(19) . . ?
Pd2 Si1 Pd6 69.91(5) . . ?
C1 Si1 Pd1 108.2(2) . . ?
C7 Si1 Pd1 98.76(18) . . ?
Pd2 Si1 Pd1 68.29(5) . . ?
Pd6 Si1 Pd1 138.20(8) . . ?
C13 Si2 C19 107.8(3) . . ?
C13 Si2 Pd2 122.32(19) . . ?
C19 Si2 Pd2 129.6(2) . . ?
C13 Si2 Pd1 98.67(19) . . ?
C19 Si2 Pd1 110.33(19) . . ?
Pd2 Si2 Pd1 69.45(5) . . ?
C13 Si2 Pd3 102.89(18) . . ?
C19 Si2 Pd3 100.96(18) . . ?
Pd2 Si2 Pd3 64.68(4) . . ?
Pd1 Si2 Pd3 134.04(7) . . ?
C37 Si3 C31 104.9(3) . . ?
C37 Si3 C25 102.8(3) . . ?
C31 Si3 C25 101.7(3) . . ?
C37 Si3 Pd7 113.7(2) . . ?
C31 Si3 Pd7 105.9(2) . . ?
C25 Si3 Pd7 125.62(19) . . ?
C37 Si3 Pd5 123.8(3) . . ?
C31 Si3 Pd5 130.2(2) . . ?
C25 Si3 Pd5 60.16(18) . . ?
Pd7 Si3 Pd5 66.17(5) . . ?
C46 Si4 Pd2 106.89(19) . . ?
C46 Si4 Pd5 112.94(18) . . ?
Pd2 Si4 Pd5 130.30(8) . . ?
C46 Si4 Pd7 172.1(2) . . ?
Pd2 Si4 Pd7 75.08(5) . . ?
Pd5 Si4 Pd7 69.59(5) . . ?
C46 Si4 Pd6 113.7(2) . . ?
Pd2 Si4 Pd6 68.46(5) . . ?
Pd5 Si4 Pd6 69.04(5) . . ?
Pd7 Si4 Pd6 74.21(5) . . ?
C46 Si4 Pd4 105.1(2) . . ?
Pd2 Si4 Pd4 125.84(8) . . ?
Pd5 Si4 Pd4 70.33(5) . . ?
Pd7 Si4 Pd4 68.24(5) . . ?
Pd6 Si4 Pd4 131.87(7) . . ?
C46 Si4 Pd3 97.3(2) . . ?
Pd2 Si4 Pd3 68.63(5) . . ?
Pd5 Si4 Pd3 131.01(7) . . ?
Pd7 Si4 Pd3 76.13(5) . . ?
Pd6 Si4 Pd3 132.56(7) . . ?
Pd4 Si4 Pd3 64.92(5) . . ?
C52 N1 C53 177.1(7) . . ?
C60 N2 C61 172.7(7) . . ?
C65 N3 C66 169.1(6) . . ?
C70 N4 C71 134.9(6) . . ?
C75 N5 C76 176.5(9) . . ?
C83 N6 C84 173.9(7) . . ?
C88 N7 C89 174.3(7) . . ?
C96 N8 C97 172.1(6) . . ?
C6 C1 C2 117.3(7) . . ?
C6 C1 Si1 123.4(6) . . ?
C2 C1 Si1 119.1(6) . . ?
C3 C2 C1 120.8(9) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 119.2(10) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 122.2(9) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
C6 C5 C4 118.1(10) . . ?
C6 C5 H5 121.0 . . ?
C4 C5 H5 121.0 . . ?
C5 C6 C1 122.3(9) . . ?
C5 C6 H6 118.8 . . ?
C1 C6 H6 118.8 . . ?
C8 C7 C12 115.2(7) . . ?
C8 C7 Si1 125.3(6) . . ?
C12 C7 Si1 119.4(5) . . ?
C7 C8 C9 124.5(8) . . ?
C7 C8 H8 117.8 . . ?
C9 C8 H8 117.8 . . ?
C10 C9 C8 117.7(9) . . ?
C10 C9 H9 121.2 . . ?
C8 C9 H9 121.2 . . ?
C11 C10 C9 120.2(8) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 119.6(8) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C11 C12 C7 122.8(8) . . ?
C11 C12 H12 118.6 . . ?
C7 C12 H12 118.6 . . ?
C18 C13 C14 116.2(5) . . ?
C18 C13 Si2 125.5(4) . . ?
C14 C13 Si2 118.3(4) . . ?
C15 C14 C13 121.8(6) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C16 C15 C14 120.2(6) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 119.2(6) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C18 C17 C16 120.6(6) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C13 122.1(6) . . ?
C17 C18 H18 118.9 . . ?
C13 C18 H18 118.9 . . ?
C24 C19 C20 116.8(6) . . ?
C24 C19 Si2 118.3(5) . . ?
C20 C19 Si2 124.8(5) . . ?
C19 C20 C21 122.0(6) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C22 C21 C20 119.7(7) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C23 119.7(7) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 120.8(7) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C19 C24 C23 120.8(6) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C30 C25 C26 117.4(6) . . ?
C30 C25 Si3 123.1(5) . . ?
C26 C25 Si3 119.3(5) . . ?
C30 C25 Pd5 107.5(4) . . ?
C26 C25 Pd5 82.8(4) . . ?
Si3 C25 Pd5 75.6(2) . . ?
C25 C26 C27 120.0(8) . . ?
C25 C26 Pd5 65.1(3) . . ?
C27 C26 Pd5 118.7(6) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
Pd5 C26 H26 86.6 . . ?
C28 C27 C26 121.0(8) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 119.9(8) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C28 C29 C30 120.3(8) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C25 C30 C29 121.3(7) . . ?
C25 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C32 C31 C36 115.5(7) . . ?
C32 C31 Si3 122.5(5) . . ?
C36 C31 Si3 122.0(6) . . ?
C33 C32 C31 123.0(7) . . ?
C33 C32 H32 118.5 . . ?
C31 C32 H32 118.5 . . ?
C32 C33 C34 120.5(8) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C35 C34 C33 119.2(8) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C36 120.5(8) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C31 121.3(8) . . ?
C35 C36 H36 119.3 . . ?
C31 C36 H36 119.3 . . ?
C38 C37 C45 114.6(8) . . ?
C38 C37 C42 112.6(8) . . ?
C45 C37 C42 40.5(7) . . ?
C38 C37 Si3 123.2(6) . . ?
C45 C37 Si3 116.2(8) . . ?
C42 C37 Si3 122.2(7) . . ?
C39 C38 C37 123.6(8) . . ?
C39 C38 H38 118.2 . . ?
C37 C38 H38 118.2 . . ?
C38 C39 C40 119.3(10) . . ?
C38 C39 C43 115.1(10) . . ?
C40 C39 C43 42.9(8) . . ?
C43 C40 C41 92.4(17) . . ?
C43 C40 C39 72.9(15) . . ?
C41 C40 C39 119.0(14) . . ?
C43 C40 C44 48.2(13) . . ?
C41 C40 C44 44.2(9) . . ?
C39 C40 C44 98.2(11) . . ?
C44 C41 C42 79.8(14) . . ?
C44 C41 C40 86.1(14) . . ?
C42 C41 C40 119.1(15) . . ?
C44 C41 C43 49.8(11) . . ?
C42 C41 C43 106.2(13) . . ?
C40 C41 C43 36.3(9) . . ?
C44 C41 C45 48.1(11) . . ?
C42 C41 C45 31.7(8) . . ?
C40 C41 C45 108.6(13) . . ?
C43 C41 C45 81.8(10) . . ?
C45 C42 C41 100.9(16) . . ?
C45 C42 C37 69.2(13) . . ?
C41 C42 C37 122.8(13) . . ?
C45 C42 C44 53.8(13) . . ?
C41 C42 C44 47.1(9) . . ?
C37 C42 C44 101.3(11) . . ?
C40 C43 C44 96.6(18) . . ?
C40 C43 C39 64.2(14) . . ?
C44 C43 C39 118.4(15) . . ?
C40 C43 C41 51.3(13) . . ?
C44 C43 C41 45.3(10) . . ?
C39 C43 C41 94.4(12) . . ?
C41 C44 C43 84.9(15) . . ?
C41 C44 C45 88.6(15) . . ?
C43 C44 C45 120.2(16) . . ?
C41 C44 C42 53.1(11) . . ?
C43 C44 C42 111.4(15) . . ?
C45 C44 C42 35.5(8) . . ?
C41 C44 C40 49.7(11) . . ?
C43 C44 C40 35.1(9) . . ?
C45 C44 C40 111.0(14) . . ?
C42 C44 C40 85.5(11) . . ?
C42 C45 C44 90.8(16) . . ?
C42 C45 C37 70.3(13) . . ?
C44 C45 C37 120.8(13) . . ?
C42 C45 C41 47.4(12) . . ?
C44 C45 C41 43.4(9) . . ?
C37 C45 C41 97.5(10) . . ?
C47 C46 C51 115.3(6) . . ?
C47 C46 Si4 124.7(5) . . ?
C51 C46 Si4 119.5(5) . . ?
C46 C47 C48 123.8(8) . . ?
C46 C47 H47 118.1 . . ?
C48 C47 H47 118.1 . . ?
C49 C48 C47 118.1(8) . . ?
C49 C48 H48 121.0 . . ?
C47 C48 H48 121.0 . . ?
C50 C49 C48 120.7(7) . . ?
C50 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
C49 C50 C51 120.3(8) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 C51 C46 121.8(7) . . ?
C50 C51 H51 119.1 . . ?
C46 C51 H51 119.1 . . ?
N1 C52 Pd1 171.1(6) . . ?
C57 C53 N1 112.8(15) . . ?
C57 C53 C54 134.5(17) . . ?
N1 C53 C54 110.6(10) . . ?
C57 C53 C58 125.3(19) . . ?
N1 C53 C58 110.7(12) . . ?
C54 C53 C58 44.7(11) . . ?
C57 C53 C56 70.9(16) . . ?
N1 C53 C56 105.7(9) . . ?
C54 C53 C56 109.6(13) . . ?
C58 C53 C56 66.7(14) . . ?
C57 C53 C59 116(2) . . ?
N1 C53 C59 102.4(12) . . ?
C54 C53 C59 39.6(12) . . ?
C58 C53 C59 84.3(15) . . ?
C56 C53 C59 145.1(15) . . ?
C57 C53 C55 38.0(14) . . ?
N1 C53 C55 106.9(9) . . ?
C54 C53 C55 115.0(13) . . ?
C58 C53 C55 141.9(14) . . ?
C56 C53 C55 108.5(11) . . ?
C59 C53 C55 82.1(15) . . ?
C59 C54 C58 142(3) . . ?
C59 C54 C53 74(2) . . ?
C58 C54 C53 68.3(18) . . ?
C57 C55 C53 61(2) . . ?
C57 C55 C59 105(3) . . ?
C53 C55 C59 48.7(11) . . ?
C53 C56 C58 55.3(12) . . ?
C53 C56 C57 50.0(13) . . ?
C58 C56 C57 98.5(19) . . ?
C55 C57 C53 81(3) . . ?
C55 C57 C56 140(4) . . ?
C53 C57 C56 59.2(16) . . ?
C54 C58 C53 67.0(19) . . ?
C54 C58 C56 122(3) . . ?
C53 C58 C56 57.9(12) . . ?
C54 C58 C59 18.2(16) . . ?
C53 C58 C59 48.9(12) . . ?
C56 C58 C59 104.6(18) . . ?
C54 C59 C53 67(2) . . ?
C54 C59 C55 109(3) . . ?
C53 C59 C55 49.2(11) . . ?
C54 C59 C58 20.1(18) . . ?
C53 C59 C58 46.8(11) . . ?
C55 C59 C58 90.0(16) . . ?
N2 C60 Pd1 166.3(6) . . ?
N2 C61 C64 108.2(6) . . ?
N2 C61 C62 107.1(5) . . ?
C64 C61 C62 111.5(6) . . ?
N2 C61 C63 106.4(6) . . ?
C64 C61 C63 112.3(7) . . ?
C62 C61 C63 111.0(6) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N3 C65 Pd3 165.1(5) . . ?
N3 C66 C68 108.4(6) . . ?
N3 C66 C69 107.2(6) . . ?
C68 C66 C69 112.8(7) . . ?
N3 C66 C67 108.1(6) . . ?
C68 C66 C67 110.1(6) . . ?
C69 C66 C67 110.1(6) . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C66 C69 H69A 109.5 . . ?
C66 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C66 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N4 C70 Pd4 144.5(5) . . ?
N4 C70 Pd3 132.8(5) . . ?
Pd4 C70 Pd3 82.1(3) . . ?
C72 C71 N4 108.3(7) . . ?
C72 C71 C74 109.5(8) . . ?
N4 C71 C74 109.6(7) . . ?
C72 C71 C73 110.8(8) . . ?
N4 C71 C73 106.6(7) . . ?
C74 C71 C73 111.9(7) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N5 C75 Pd4 179.2(8) . . ?
C82 C76 C79 120.8(16) . . ?
C82 C76 N5 116.5(15) . . ?
C79 C76 N5 109.9(11) . . ?
C82 C76 C77 80.5(15) . . ?
C79 C76 C77 117.2(13) . . ?
N5 C76 C77 108.6(9) . . ?
C82 C76 C80 114.1(15) . . ?
C79 C76 C80 15.4(11) . . ?
N5 C76 C80 104.5(9) . . ?
C77 C76 C80 131.9(12) . . ?
C82 C76 C78 23.8(13) . . ?
C79 C76 C78 112.3(11) . . ?
N5 C76 C78 104.0(8) . . ?
C77 C76 C78 103.9(11) . . ?
C80 C76 C78 100.7(10) . . ?
C82 C76 C81 113.9(16) . . ?
C79 C76 C81 88.3(13) . . ?
N5 C76 C81 102.5(9) . . ?
C77 C76 C81 35.7(9) . . ?
C80 C76 C81 103.7(13) . . ?
C78 C76 C81 137.7(11) . . ?
C81 C77 C76 87.9(18) . . ?
C81 C77 C82 131(2) . . ?
C76 C77 C82 46.6(10) . . ?
C82 C78 C76 48(3) . . ?
C77 C81 C76 56.3(15) . . ?
C78 C82 C76 108(4) . . ?
C78 C82 C77 159(4) . . ?
C76 C82 C77 52.9(13) . . ?
N6 C83 Pd5 170.9(6) . . ?
N6 C84 C86 109.1(6) . . ?
N6 C84 C85 106.1(6) . . ?
C86 C84 C85 111.6(7) . . ?
N6 C84 C87 108.4(6) . . ?
C86 C84 C87 112.9(7) . . ?
C85 C84 C87 108.5(6) . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C84 C87 H87A 109.5 . . ?
C84 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C84 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N7 C88 Pd6 179.5(7) . . ?
C93 C89 N7 110.9(19) . . ?
C93 C89 C90 135(2) . . ?
N7 C89 C90 111.4(9) . . ?
C93 C89 C91 53.8(19) . . ?
N7 C89 C91 110.4(7) . . ?
C90 C89 C91 121.9(11) . . ?
C93 C89 C92 51.6(19) . . ?
N7 C89 C92 106.2(8) . . ?
C90 C89 C92 100.8(12) . . ?
C91 C89 C92 104.2(9) . . ?
C93 C89 C95 138(2) . . ?
N7 C89 C95 106.5(11) . . ?
C90 C89 C95 34.1(10) . . ?
C91 C89 C95 95.9(12) . . ?
C92 C89 C95 132.2(13) . . ?
C93 C89 C94 109(3) . . ?
N7 C89 C94 105.4(15) . . ?
C90 C89 C94 43.8(15) . . ?
C91 C89 C94 143.9(16) . . ?
C92 C89 C94 60.4(17) . . ?
C95 C89 C94 77.8(18) . . ?
C95 C90 C94 161(4) . . ?
C95 C90 C89 84(2) . . ?
C94 C90 C89 77(2) . . ?
C93 C91 C89 57(2) . . ?
C93 C92 C89 56(2) . . ?
C93 C92 C94 114(3) . . ?
C89 C92 C94 62.0(17) . . ?
C92 C93 C91 139(4) . . ?
C92 C93 C89 73(2) . . ?
C91 C93 C89 70(2) . . ?
C90 C94 C92 113(3) . . ?
C90 C94 C89 59(2) . . ?
C92 C94 C89 57.6(16) . . ?
C90 C95 C89 62(2) . . ?
N8 C96 Pd7 175.8(6) . . ?
N8 C97 C99 108.5(7) . . ?
N8 C97 C100 107.0(6) . . ?
C99 C97 C100 112.9(6) . . ?
N8 C97 C98 104.6(5) . . ?
C99 C97 C98 110.8(6) . . ?
C100 C97 C98 112.5(7) . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C97 C100 H10A 109.5 . . ?
C97 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C97 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 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
C7 Si1 C1 C6 -34.2(6) . . . . ?
Pd2 Si1 C1 C6 143.1(5) . . . . ?
Pd6 Si1 C1 C6 72.9(6) . . . . ?
Pd1 Si1 C1 C6 -140.6(5) . . . . ?
C7 Si1 C1 C2 151.9(5) . . . . ?
Pd2 Si1 C1 C2 -30.8(6) . . . . ?
Pd6 Si1 C1 C2 -101.0(5) . . . . ?
Pd1 Si1 C1 C2 45.5(6) . . . . ?
C6 C1 C2 C3 -0.5(10) . . . . ?
Si1 C1 C2 C3 173.8(6) . . . . ?
C1 C2 C3 C4 1.5(12) . . . . ?
C2 C3 C4 C5 -1.1(14) . . . . ?
C3 C4 C5 C6 -0.4(14) . . . . ?
C4 C5 C6 C1 1.4(12) . . . . ?
C2 C1 C6 C5 -1.0(10) . . . . ?
Si1 C1 C6 C5 -175.0(6) . . . . ?
C12 C7 C8 C9 -2.2(10) . . . . ?
Si1 C7 C8 C9 -178.5(5) . . . . ?
C7 C8 C9 C10 2.0(11) . . . . ?
C8 C9 C10 C11 -0.1(12) . . . . ?
C9 C10 C11 C12 -1.5(12) . . . . ?
C10 C11 C12 C7 1.3(11) . . . . ?
C8 C7 C12 C11 0.4(10) . . . . ?
Si1 C7 C12 C11 177.0(5) . . . . ?
C18 C13 C14 C15 0.8(9) . . . . ?
Si2 C13 C14 C15 179.5(5) . . . . ?
C13 C14 C15 C16 0.7(10) . . . . ?
C14 C15 C16 C17 -1.3(10) . . . . ?
C15 C16 C17 C18 0.3(10) . . . . ?
C16 C17 C18 C13 1.3(10) . . . . ?
C14 C13 C18 C17 -1.8(9) . . . . ?
Si2 C13 C18 C17 179.6(5) . . . . ?
C24 C19 C20 C21 -2.1(9) . . . . ?
Si2 C19 C20 C21 180.0(5) . . . . ?
C19 C20 C21 C22 1.8(10) . . . . ?
C20 C21 C22 C23 0.1(11) . . . . ?
C21 C22 C23 C24 -1.7(11) . . . . ?
C20 C19 C24 C23 0.6(9) . . . . ?
Si2 C19 C24 C23 178.6(5) . . . . ?
C22 C23 C24 C19 1.3(11) . . . . ?
C30 C25 C26 C27 -4.1(10) . . . . ?
Si3 C25 C26 C27 -179.1(6) . . . . ?
Pd5 C25 C26 C27 -110.1(7) . . . . ?
C30 C25 C26 Pd5 106.0(6) . . . . ?
Si3 C25 C26 Pd5 -69.0(4) . . . . ?
C25 C26 C27 C28 1.7(12) . . . . ?
Pd5 C26 C27 C28 -74.5(9) . . . . ?
C26 C27 C28 C29 0.3(13) . . . . ?
C27 C28 C29 C30 0.2(12) . . . . ?
C26 C25 C30 C29 4.6(9) . . . . ?
Si3 C25 C30 C29 179.4(5) . . . . ?
Pd5 C25 C30 C29 95.5(6) . . . . ?
C28 C29 C30 C25 -2.8(11) . . . . ?
C36 C31 C32 C33 0.8(10) . . . . ?
Si3 C31 C32 C33 179.8(5) . . . . ?
C31 C32 C33 C34 0.1(11) . . . . ?
C32 C33 C34 C35 -0.7(12) . . . . ?
C33 C34 C35 C36 0.4(13) . . . . ?
C34 C35 C36 C31 0.5(13) . . . . ?
C32 C31 C36 C35 -1.1(11) . . . . ?
Si3 C31 C36 C35 179.9(6) . . . . ?
C31 Si3 C37 C38 78.9(7) . . . . ?
C25 Si3 C37 C38 -27.1(8) . . . . ?
Pd7 Si3 C37 C38 -165.9(6) . . . . ?
Pd5 Si3 C37 C38 -89.6(7) . . . . ?
C31 Si3 C37 C45 -72.3(9) . . . . ?
C25 Si3 C37 C45 -178.3(8) . . . . ?
Pd7 Si3 C37 C45 42.9(9) . . . . ?
Pd5 Si3 C37 C45 119.2(8) . . . . ?
C31 Si3 C37 C42 -118.5(9) . . . . ?
C25 Si3 C37 C42 135.5(9) . . . . ?
Pd7 Si3 C37 C42 -3.3(10) . . . . ?
Pd5 Si3 C37 C42 72.9(10) . . . . ?
C45 C37 C38 C39 -24.0(14) . . . . ?
C42 C37 C38 C39 20.4(14) . . . . ?
Si3 C37 C38 C39 -175.6(8) . . . . ?
C37 C38 C39 C40 -21.7(17) . . . . ?
C37 C38 C39 C43 26.6(15) . . . . ?
C38 C39 C40 C43 96.2(16) . . . . ?
C38 C39 C40 C41 13(2) . . . . ?
C43 C39 C40 C41 -83.1(19) . . . . ?
C38 C39 C40 C44 54.7(15) . . . . ?
C43 C39 C40 C44 -41.5(13) . . . . ?
C43 C40 C41 C44 -1.4(18) . . . . ?
C39 C40 C41 C44 70.3(18) . . . . ?
C43 C40 C41 C42 -77(2) . . . . ?
C39 C40 C41 C42 -6(2) . . . . ?
C44 C40 C41 C42 -76.0(17) . . . . ?
C39 C40 C41 C43 71.7(18) . . . . ?
C44 C40 C41 C43 1.4(18) . . . . ?
C43 C40 C41 C45 -44.5(18) . . . . ?
C39 C40 C41 C45 27(2) . . . . ?
C44 C40 C41 C45 -43.1(11) . . . . ?
C44 C41 C42 C45 -1.6(17) . . . . ?
C40 C41 C42 C45 78(2) . . . . ?
C43 C41 C42 C45 41.0(18) . . . . ?
C44 C41 C42 C37 -73.8(17) . . . . ?
C40 C41 C42 C37 6(2) . . . . ?
C43 C41 C42 C37 -31.1(19) . . . . ?
C45 C41 C42 C37 -72.2(16) . . . . ?
C40 C41 C42 C44 79.6(17) . . . . ?
C43 C41 C42 C44 42.7(11) . . . . ?
C45 C41 C42 C44 1.6(17) . . . . ?
C38 C37 C42 C45 -101.9(13) . . . . ?
Si3 C37 C42 C45 93.9(14) . . . . ?
C38 C37 C42 C41 -12.2(18) . . . . ?
C45 C37 C42 C41 89.7(19) . . . . ?
Si3 C37 C42 C41 -176.4(12) . . . . ?
C38 C37 C42 C44 -58.1(12) . . . . ?
C45 C37 C42 C44 43.9(12) . . . . ?
Si3 C37 C42 C44 137.7(9) . . . . ?
C41 C40 C43 C44 1.3(17) . . . . ?
C39 C40 C43 C44 -118.4(14) . . . . ?
C41 C40 C43 C39 119.7(13) . . . . ?
C44 C40 C43 C39 118.4(14) . . . . ?
C39 C40 C43 C41 -119.7(13) . . . . ?
C44 C40 C43 C41 -1.3(17) . . . . ?
C38 C39 C43 C40 -106.9(15) . . . . ?
C38 C39 C43 C44 -24(2) . . . . ?
C40 C39 C43 C44 83(2) . . . . ?
C38 C39 C43 C41 -64.1(13) . . . . ?
C40 C39 C43 C41 42.9(12) . . . . ?
C44 C41 C43 C40 178(2) . . . . ?
C42 C41 C43 C40 117(2) . . . . ?
C45 C41 C43 C40 137.8(18) . . . . ?
C42 C41 C43 C44 -60.8(16) . . . . ?
C40 C41 C43 C44 -178(2) . . . . ?
C45 C41 C43 C44 -40.4(13) . . . . ?
C44 C41 C43 C39 126.5(17) . . . . ?
C42 C41 C43 C39 65.7(15) . . . . ?
C40 C41 C43 C39 -51.7(15) . . . . ?
C45 C41 C43 C39 86.1(11) . . . . ?
C42 C41 C44 C43 121.6(14) . . . . ?
C40 C41 C44 C43 1.1(14) . . . . ?
C45 C41 C44 C43 120.5(16) . . . . ?
C42 C41 C44 C45 1.1(12) . . . . ?
C40 C41 C44 C45 -119.4(13) . . . . ?
C43 C41 C44 C45 -120.5(16) . . . . ?
C40 C41 C44 C42 -120.5(14) . . . . ?
C43 C41 C44 C42 -121.6(14) . . . . ?
C45 C41 C44 C42 -1.1(12) . . . . ?
C42 C41 C44 C40 120.5(14) . . . . ?
C43 C41 C44 C40 -1.1(14) . . . . ?
C45 C41 C44 C40 119.4(13) . . . . ?
C40 C43 C44 C41 -1.4(19) . . . . ?
C39 C43 C44 C41 -65.7(18) . . . . ?
C40 C43 C44 C45 84(2) . . . . ?
C39 C43 C44 C45 20(3) . . . . ?
C41 C43 C44 C45 85.3(19) . . . . ?
C40 C43 C44 C42 46(2) . . . . ?
C39 C43 C44 C42 -19(2) . . . . ?
C41 C43 C44 C42 47.0(12) . . . . ?
C39 C43 C44 C40 -64.2(16) . . . . ?
C41 C43 C44 C40 1.4(19) . . . . ?
C45 C42 C44 C41 178(2) . . . . ?
C37 C42 C44 C41 124.6(15) . . . . ?
C45 C42 C44 C43 112(2) . . . . ?
C41 C42 C44 C43 -65.6(17) . . . . ?
C37 C42 C44 C43 59.0(17) . . . . ?
C41 C42 C44 C45 -178(2) . . . . ?
C37 C42 C44 C45 -53.4(14) . . . . ?
C45 C42 C44 C40 136.8(17) . . . . ?
C41 C42 C44 C40 -41.2(12) . . . . ?
C37 C42 C44 C40 83.4(11) . . . . ?
C43 C40 C44 C41 178(2) . . . . ?
C39 C40 C44 C41 -123.7(16) . . . . ?
C41 C40 C44 C43 -178(2) . . . . ?
C39 C40 C44 C43 58.2(17) . . . . ?
C43 C40 C44 C45 -113(2) . . . . ?
C41 C40 C44 C45 68.9(16) . . . . ?
C39 C40 C44 C45 -54.8(16) . . . . ?
C43 C40 C44 C42 -138(2) . . . . ?
C41 C40 C44 C42 43.7(12) . . . . ?
C39 C40 C44 C42 -80.0(12) . . . . ?
C41 C42 C45 C44 1.5(16) . . . . ?
C37 C42 C45 C44 122.6(12) . . . . ?
C41 C42 C45 C37 -121.2(13) . . . . ?
C44 C42 C45 C37 -122.6(12) . . . . ?
C37 C42 C45 C41 121.2(13) . . . . ?
C44 C42 C45 C41 -1.5(16) . . . . ?
C41 C44 C45 C42 -1.6(17) . . . . ?
C43 C44 C45 C42 -85(2) . . . . ?
C40 C44 C45 C42 -47.0(18) . . . . ?
C41 C44 C45 C37 65.8(18) . . . . ?
C43 C44 C45 C37 -17(3) . . . . ?
C42 C44 C45 C37 67.4(15) . . . . ?
C40 C44 C45 C37 20(2) . . . . ?
C43 C44 C45 C41 -83.2(19) . . . . ?
C42 C44 C45 C41 1.6(17) . . . . ?
C40 C44 C45 C41 -45.4(11) . . . . ?
C38 C37 C45 C42 96.6(14) . . . . ?
Si3 C37 C45 C42 -109.7(12) . . . . ?
C38 C37 C45 C44 18.0(19) . . . . ?
C42 C37 C45 C44 -78.6(18) . . . . ?
Si3 C37 C45 C44 171.7(12) . . . . ?
C38 C37 C45 C41 57.2(11) . . . . ?
C42 C37 C45 C41 -39.5(11) . . . . ?
Si3 C37 C45 C41 -149.1(7) . . . . ?
C44 C41 C45 C42 178(2) . . . . ?
C40 C41 C45 C42 -116(2) . . . . ?
C43 C41 C45 C42 -140.4(18) . . . . ?
C42 C41 C45 C44 -178(2) . . . . ?
C40 C41 C45 C44 66.5(16) . . . . ?
C43 C41 C45 C44 41.7(13) . . . . ?
C44 C41 C45 C37 -127.8(16) . . . . ?
C42 C41 C45 C37 54.3(15) . . . . ?
C40 C41 C45 C37 -61.3(15) . . . . ?
C43 C41 C45 C37 -86.1(11) . . . . ?
Pd2 Si4 C46 C47 101.8(5) . . . . ?
Pd5 Si4 C46 C47 -108.6(5) . . . . ?
Pd6 Si4 C46 C47 175.2(4) . . . . ?
Pd4 Si4 C46 C47 -33.9(5) . . . . ?
Pd3 Si4 C46 C47 32.0(5) . . . . ?
Pd2 Si4 C46 C51 -69.3(5) . . . . ?
Pd5 Si4 C46 C51 80.3(5) . . . . ?
Pd6 Si4 C46 C51 4.1(5) . . . . ?
Pd4 Si4 C46 C51 155.0(4) . . . . ?
Pd3 Si4 C46 C51 -139.1(5) . . . . ?
C51 C46 C47 C48 0.5(9) . . . . ?
Si4 C46 C47 C48 -170.9(5) . . . . ?
C46 C47 C48 C49 -0.8(10) . . . . ?
C47 C48 C49 C50 0.8(10) . . . . ?
C48 C49 C50 C51 -0.4(11) . . . . ?
C49 C50 C51 C46 0.1(11) . . . . ?
C47 C46 C51 C50 -0.2(9) . . . . ?
Si4 C46 C51 C50 171.7(5) . . . . ?
C57 C53 C54 C59 -77(3) . . . . ?
N1 C53 C54 C59 85(2) . . . . ?
C58 C53 C54 C59 -176(3) . . . . ?
C56 C53 C54 C59 -159(2) . . . . ?
C55 C53 C54 C59 -37(3) . . . . ?
C57 C53 C54 C58 99(3) . . . . ?
N1 C53 C54 C58 -99.1(19) . . . . ?
C56 C53 C54 C58 17(2) . . . . ?
C59 C53 C54 C58 176(3) . . . . ?
C55 C53 C54 C58 139.7(19) . . . . ?
N1 C53 C55 C57 106(3) . . . . ?
C54 C53 C55 C57 -131(3) . . . . ?
C58 C53 C55 C57 -84(3) . . . . ?
C56 C53 C55 C57 -8(3) . . . . ?
C59 C53 C55 C57 -154(3) . . . . ?
C57 C53 C55 C59 154(3) . . . . ?
N1 C53 C55 C59 -100.7(13) . . . . ?
C54 C53 C55 C59 22.6(15) . . . . ?
C58 C53 C55 C59 70(2) . . . . ?
C56 C53 C55 C59 145.8(15) . . . . ?
C57 C53 C56 C58 -145(2) . . . . ?
N1 C53 C56 C58 106.2(13) . . . . ?
C54 C53 C56 C58 -13.0(16) . . . . ?
C59 C53 C56 C58 -36(3) . . . . ?
C55 C53 C56 C58 -139.4(15) . . . . ?
N1 C53 C56 C57 -109.2(16) . . . . ?
C54 C53 C56 C57 131.6(18) . . . . ?
C58 C53 C56 C57 145(2) . . . . ?
C59 C53 C56 C57 108(3) . . . . ?
C55 C53 C56 C57 5.2(18) . . . . ?
C59 C55 C57 C53 -20(2) . . . . ?
C53 C55 C57 C56 11(4) . . . . ?
C59 C55 C57 C56 -9(6) . . . . ?
N1 C53 C57 C55 -89(2) . . . . ?
C54 C53 C57 C55 73(3) . . . . ?
C58 C53 C57 C55 131(2) . . . . ?
C56 C53 C57 C55 172(3) . . . . ?
C59 C53 C57 C55 29(3) . . . . ?
N1 C53 C57 C56 99.5(13) . . . . ?
C54 C53 C57 C56 -99(2) . . . . ?
C58 C53 C57 C56 -41(2) . . . . ?
C59 C53 C57 C56 -142.8(17) . . . . ?
C55 C53 C57 C56 -172(3) . . . . ?
C53 C56 C57 C55 -12(4) . . . . ?
C58 C56 C57 C55 16(5) . . . . ?
C58 C56 C57 C53 28.8(15) . . . . ?
C59 C54 C58 C53 6(5) . . . . ?
C59 C54 C58 C56 -12(7) . . . . ?
C53 C54 C58 C56 -18(2) . . . . ?
C53 C54 C58 C59 -6(5) . . . . ?
C57 C53 C58 C54 -120(2) . . . . ?
N1 C53 C58 C54 98.8(18) . . . . ?
C56 C53 C58 C54 -162(2) . . . . ?
C59 C53 C58 C54 -2(2) . . . . ?
C55 C53 C58 C54 -72(3) . . . . ?
C57 C53 C58 C56 42(2) . . . . ?
N1 C53 C58 C56 -98.7(12) . . . . ?
C54 C53 C58 C56 162(2) . . . . ?
C59 C53 C58 C56 160.1(15) . . . . ?
C55 C53 C58 C56 91(2) . . . . ?
C57 C53 C58 C59 -118(2) . . . . ?
N1 C53 C58 C59 101.2(13) . . . . ?
C54 C53 C58 C59 2(2) . . . . ?
C56 C53 C58 C59 -160.1(15) . . . . ?
C55 C53 C58 C59 -69(2) . . . . ?
C53 C56 C58 C54 19(2) . . . . ?
C57 C56 C58 C54 -7(3) . . . . ?
C57 C56 C58 C53 -26.6(15) . . . . ?
C53 C56 C58 C59 15.4(12) . . . . ?
C57 C56 C58 C59 -11(2) . . . . ?
C58 C54 C59 C53 -6(5) . . . . ?
C58 C54 C59 C55 20(6) . . . . ?
C53 C54 C59 C55 25.9(16) . . . . ?
C53 C54 C59 C58 6(5) . . . . ?
C57 C53 C59 C54 129(2) . . . . ?
N1 C53 C59 C54 -107(2) . . . . ?
C58 C53 C59 C54 3(2) . . . . ?
C56 C53 C59 C54 36(4) . . . . ?
C55 C53 C59 C54 147(2) . . . . ?
C57 C53 C59 C55 -17.6(19) . . . . ?
N1 C53 C59 C55 105.7(10) . . . . ?
C54 C53 C59 C55 -147(2) . . . . ?
C58 C53 C59 C55 -144.3(14) . . . . ?
C56 C53 C59 C55 -111(2) . . . . ?
C57 C53 C59 C58 127(2) . . . . ?
N1 C53 C59 C58 -110.0(12) . . . . ?
C54 C53 C59 C58 -3(2) . . . . ?
C56 C53 C59 C58 33(2) . . . . ?
C55 C53 C59 C58 144.3(14) . . . . ?
C66 N3 C65 Pd3 3(5) . . . . ?
C65 N3 C66 C68 -112(3) . . . . ?
C65 N3 C66 C69 10(4) . . . . ?
C65 N3 C66 C67 129(3) . . . . ?
C71 N4 C70 Pd4 -14(2) . . . . ?
C71 N4 C70 Pd3 178.8(7) . . . . ?
C70 N4 C71 C72 -166.5(10) . . . . ?
C70 N4 C71 C74 -47.1(14) . . . . ?
C70 N4 C71 C73 74.2(12) . . . . ?
C82 C76 C77 C81 -159(2) . . . . ?
C79 C76 C77 C81 -40(2) . . . . ?
N5 C76 C77 C81 85.6(17) . . . . ?
C80 C76 C77 C81 -45(2) . . . . ?
C78 C76 C77 C81 -164.1(16) . . . . ?
C79 C76 C77 C82 119.8(17) . . . . ?
N5 C76 C77 C82 -114.9(16) . . . . ?
C80 C76 C77 C82 114.0(18) . . . . ?
C78 C76 C77 C82 -4.6(14) . . . . ?
C81 C76 C77 C82 159(2) . . . . ?
C79 C76 C78 C82 -116(4) . . . . ?
N5 C76 C78 C82 125(3) . . . . ?
C77 C76 C78 C82 11(4) . . . . ?
C80 C76 C78 C82 -127(4) . . . . ?
C81 C76 C78 C82 -2(4) . . . . ?
C82 C77 C81 C76 -20(2) . . . . ?
C82 C76 C81 C77 22(2) . . . . ?
C79 C76 C81 C77 145.4(19) . . . . ?
N5 C76 C81 C77 -104.6(16) . . . . ?
C80 C76 C81 C77 146.9(17) . . . . ?
C78 C76 C81 C77 23(2) . . . . ?
C76 C78 C82 C77 -25(8) . . . . ?
C79 C76 C82 C78 75(4) . . . . ?
N5 C76 C82 C78 -63(4) . . . . ?
C77 C76 C82 C78 -169(3) . . . . ?
C80 C76 C82 C78 59(4) . . . . ?
C81 C76 C82 C78 178(3) . . . . ?
C79 C76 C82 C77 -116.1(16) . . . . ?
N5 C76 C82 C77 106.2(12) . . . . ?
C80 C76 C82 C77 -131.8(14) . . . . ?
C78 C76 C82 C77 169(3) . . . . ?
C81 C76 C82 C77 -13.0(13) . . . . ?
C81 C77 C82 C78 58(11) . . . . ?
C76 C77 C82 C78 31(9) . . . . ?
C81 C77 C82 C76 28(3) . . . . ?
C93 C89 C90 C95 -114(4) . . . . ?
N7 C89 C90 C95 88(2) . . . . ?
C91 C89 C90 C95 -45(2) . . . . ?
C92 C89 C90 C95 -160(2) . . . . ?
C94 C89 C90 C95 178(4) . . . . ?
C93 C89 C90 C94 68(4) . . . . ?
N7 C89 C90 C94 -90(2) . . . . ?
C91 C89 C90 C94 136(2) . . . . ?
C92 C89 C90 C94 22(3) . . . . ?
C95 C89 C90 C94 -178(4) . . . . ?
N7 C89 C91 C93 102(2) . . . . ?
C90 C89 C91 C93 -125(3) . . . . ?
C92 C89 C91 C93 -12(2) . . . . ?
C95 C89 C91 C93 -148(2) . . . . ?
C94 C89 C91 C93 -71(4) . . . . ?
N7 C89 C92 C93 -104(2) . . . . ?
C90 C89 C92 C93 140(3) . . . . ?
C91 C89 C92 C93 12(2) . . . . ?
C95 C89 C92 C93 124(3) . . . . ?
C94 C89 C92 C93 157(3) . . . . ?
C93 C89 C92 C94 -157(3) . . . . ?
N7 C89 C92 C94 98.8(18) . . . . ?
C90 C89 C92 C94 -17(2) . . . . ?
C91 C89 C92 C94 -144.6(18) . . . . ?
C95 C89 C92 C94 -33(2) . . . . ?
C89 C92 C93 C91 -22(4) . . . . ?
C94 C92 C93 C91 0(7) . . . . ?
C94 C92 C93 C89 22(3) . . . . ?
C89 C91 C93 C92 22(4) . . . . ?
N7 C89 C93 C92 94.5(18) . . . . ?
C90 C89 C93 C92 -64(3) . . . . ?
C91 C89 C93 C92 -165(3) . . . . ?
C95 C89 C93 C92 -114(3) . . . . ?
C94 C89 C93 C92 -21(3) . . . . ?
N7 C89 C93 C91 -100.5(16) . . . . ?
C90 C89 C93 C91 101(3) . . . . ?
C92 C89 C93 C91 165(3) . . . . ?
C95 C89 C93 C91 51(4) . . . . ?
C94 C89 C93 C91 144(2) . . . . ?
C95 C90 C94 C92 -28(13) . . . . ?
C89 C90 C94 C92 -23(2) . . . . ?
C95 C90 C94 C89 -5(11) . . . . ?
C93 C92 C94 C90 3(5) . . . . ?
C89 C92 C94 C90 23(3) . . . . ?
C93 C92 C94 C89 -21(3) . . . . ?
C93 C89 C94 C90 -136(3) . . . . ?
N7 C89 C94 C90 105(2) . . . . ?
C91 C89 C94 C90 -82(3) . . . . ?
C92 C89 C94 C90 -155(3) . . . . ?
C95 C89 C94 C90 1(2) . . . . ?
C93 C89 C94 C92 19(2) . . . . ?
N7 C89 C94 C92 -100.1(12) . . . . ?
C90 C89 C94 C92 155(3) . . . . ?
C91 C89 C94 C92 73(3) . . . . ?
C95 C89 C94 C92 155.8(16) . . . . ?
C94 C90 C95 C89 5(11) . . . . ?
C93 C89 C95 C90 103(4) . . . . ?
N7 C89 C95 C90 -104(2) . . . . ?
C91 C89 C95 C90 143(2) . . . . ?
C92 C89 C95 C90 28(3) . . . . ?
C94 C89 C95 C90 -1(3) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.







#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_Pd5(SiPh2)3(SiPh3)(SiPh)(CNtBu)5
_database_code_depnum_ccdc_archive 'CCDC 2078823'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-04-20 deposited with the CCDC.	2021-07-06 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C85 H95 N5 O Pd5 Si5'
_chemical_formula_moiety         'C85 H95 N5 O Pd5 Si5'
_chemical_formula_weight         1875.15
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   13.6595(3)
_cell_length_b                   16.1139(3)
_cell_length_c                   20.7160(3)
_cell_angle_alpha                84.5850(15)
_cell_angle_beta                 80.4830(15)
_cell_angle_gamma                79.7720(18)
_cell_volume                     4415.59(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    27380
_cell_measurement_theta_min      1.98
_cell_measurement_theta_max      31.37
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1896.00
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_T_max  0.978

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            42111
_diffrn_reflns_av_unetI/netI     ?
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_theta_max         31.251
_diffrn_reflns_theta_min         2.316
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.832
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.832
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             23931
_reflns_number_gt                19738
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0979
_refine_ls_wR_factor_gt          0.0905
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         23931
_refine_ls_number_parameters     912
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0505P)²+5.0421P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.004
_refine_diff_density_max         1.55
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.81341(2) 0.38329(2) 0.41589(2) 0.02573(5) Uani 1 1 d . . . . .
Pd2 Pd 0.81151(2) 0.32510(2) 0.29346(2) 0.02258(5) Uani 1 1 d . . . . .
Pd3 Pd 0.77025(2) 0.44981(2) 0.19596(2) 0.02484(5) Uani 1 1 d . . . . .
Pd4 Pd 0.79490(2) 0.37140(2) 0.07979(2) 0.02436(5) Uani 1 1 d . . . . .
Pd5 Pd 0.79337(2) 0.20847(2) 0.12781(2) 0.02352(5) Uani 1 1 d . . . . .
Si1 Si 0.83094(6) 0.24142(5) 0.38511(4) 0.02462(15) Uani 1 1 d . . . . .
Si2 Si 0.76834(6) 0.46882(5) 0.31236(4) 0.02688(16) Uani 1 1 d . . . . .
Si3 Si 0.75996(6) 0.25246(5) 0.01835(4) 0.02618(15) Uani 1 1 d . . . . .
Si4 Si 0.77434(6) 0.20193(5) 0.24908(4) 0.02420(15) Uani 1 1 d . . . . .
Si5 Si 0.85407(6) 0.30919(4) 0.17779(3) 0.02229(14) Uani 1 1 d . . . . .
O1 O 0.4226(3) -0.0690(3) 0.2732(2) 0.0764(12) Uiso 0.8 1 d . . P . .
N1 N 0.8020(2) 0.28464(19) 0.55358(13) 0.0412(6) Uani 1 1 d . . . . .
N2 N 0.8335(2) 0.55566(18) 0.47059(14) 0.0408(6) Uani 1 1 d . . . . .
N3 N 0.5873(2) 0.59596(17) 0.18825(13) 0.0396(6) Uani 1 1 d . . . . .
N4 N 0.8325(2) 0.55301(16) 0.06101(13) 0.0333(5) Uani 1 1 d . . . . .
N5 N 0.7411(2) 0.02904(17) 0.11868(14) 0.0384(6) Uani 1 1 d . . . . .
C1 C 0.9595(2) 0.18589(17) 0.39915(14) 0.0283(6) Uani 1 1 d . . . . .
C2 C 1.0436(2) 0.2053(2) 0.35576(16) 0.0366(7) Uani 1 1 d . . . . .
H2 H 1.033985 0.243744 0.320059 0.044 Uiso 1 1 calc R U . . .
C3 C 1.1410(3) 0.1688(3) 0.36446(19) 0.0478(8) Uani 1 1 d . . . . .
H3 H 1.195527 0.182324 0.334629 0.057 Uiso 1 1 calc R U . . .
C4 C 1.1561(3) 0.1127(3) 0.4174(2) 0.0531(10) Uani 1 1 d . . . . .
H4 H 1.221219 0.088472 0.423545 0.064 Uiso 1 1 calc R U . . .
C5 C 1.0757(3) 0.0922(2) 0.4611(2) 0.0514(9) Uani 1 1 d . . . . .
H5 H 1.086292 0.053905 0.496771 0.062 Uiso 1 1 calc R U . . .
C6 C 0.9784(3) 0.1289(2) 0.45223(16) 0.0382(7) Uani 1 1 d . . . . .
H6 H 0.924452 0.114897 0.482468 0.046 Uiso 1 1 calc R U . . .
C7 C 0.7333(2) 0.18010(19) 0.43098(14) 0.0318(6) Uani 1 1 d . . . . .
C8 C 0.7468(3) 0.0921(2) 0.43930(16) 0.0410(8) Uani 1 1 d . . . . .
H8 H 0.808951 0.060525 0.424351 0.049 Uiso 1 1 calc R U . . .
C9 C 0.6682(4) 0.0510(3) 0.46978(19) 0.0573(11) Uani 1 1 d . . . . .
H9 H 0.678124 -0.007652 0.475087 0.069 Uiso 1 1 calc R U . . .
C10 C 0.5765(4) 0.0966(3) 0.4919(2) 0.0643(13) Uani 1 1 d . . . . .
H10 H 0.524511 0.068731 0.512467 0.077 Uiso 1 1 calc R U . . .
C11 C 0.5609(3) 0.1822(3) 0.48406(19) 0.0573(11) Uani 1 1 d . . . . .
H11 H 0.498118 0.212733 0.499081 0.069 Uiso 1 1 calc R U . . .
C12 C 0.6381(3) 0.2246(2) 0.45375(16) 0.0424(8) Uani 1 1 d . . . . .
H12 H 0.626320 0.283316 0.448514 0.051 Uiso 1 1 calc R U . . .
C13 C 0.8426(3) 0.55915(19) 0.29704(15) 0.0384(7) Uani 1 1 d . . . . .
C14 C 0.9459(3) 0.5413(3) 0.29235(18) 0.0507(9) Uani 1 1 d . . . . .
H14 H 0.976514 0.486002 0.301081 0.061 Uiso 1 1 calc R U . . .
C15 C 1.0055(5) 0.6037(4) 0.2750(2) 0.0782(16) Uani 1 1 d . . . . .
H15 H 1.075260 0.589891 0.270285 0.094 Uiso 1 1 calc R U . . .
C16 C 0.9596(6) 0.6868(4) 0.2646(2) 0.097(2) Uani 1 1 d . . . . .
H16 H 0.998717 0.729228 0.253488 0.117 Uiso 1 1 calc R U . . .
C17 C 0.8578(6) 0.7065(3) 0.2708(2) 0.0817(18) Uani 1 1 d . . . . .
H17 H 0.827148 0.762433 0.264970 0.098 Uiso 1 1 calc R U . . .
C18 C 0.7998(4) 0.6434(2) 0.28564(19) 0.0581(11) Uani 1 1 d . . . . .
H18 H 0.730332 0.657421 0.288122 0.070 Uiso 1 1 calc R U . . .
C19 C 0.6347(3) 0.5045(2) 0.35346(15) 0.0367(7) Uani 1 1 d . . . . .
C20 C 0.6042(3) 0.5730(3) 0.39262(19) 0.0552(10) Uani 1 1 d . . . . .
H20 H 0.649223 0.609049 0.395408 0.066 Uiso 1 1 calc R U . . .
C21 C 0.5080(4) 0.5881(3) 0.4274(2) 0.0735(15) Uani 1 1 d . . . . .
H21 H 0.489508 0.633561 0.453841 0.088 Uiso 1 1 calc R U . . .
C22 C 0.4400(4) 0.5370(4) 0.4232(2) 0.0744(15) Uani 1 1 d . . . . .
H22 H 0.375477 0.547510 0.446779 0.089 Uiso 1 1 calc R U . . .
C23 C 0.4671(3) 0.4707(3) 0.3845(2) 0.0665(12) Uani 1 1 d . . . . .
H23 H 0.420761 0.436060 0.381093 0.080 Uiso 1 1 calc R U . . .
C24 C 0.5637(3) 0.4545(2) 0.35002(19) 0.0485(9) Uani 1 1 d . . . . .
H24 H 0.581138 0.408750 0.323847 0.058 Uiso 1 1 calc R U . . .
C25 C 0.7459(2) 0.36453(18) -0.02393(13) 0.0291(6) Uani 1 1 d . . . . .
C26 C 0.8223(3) 0.3903(2) -0.07161(16) 0.0387(7) Uani 1 1 d . . . . .
H26 H 0.880629 0.351846 -0.083202 0.046 Uiso 1 1 calc R U . . .
C27 C 0.8135(3) 0.4709(2) -0.10187(19) 0.0514(9) Uani 1 1 d . . . . .
H27 H 0.865238 0.485723 -0.133602 0.062 Uiso 1 1 calc R U . . .
C28 C 0.7289(3) 0.5290(2) -0.08526(19) 0.0516(9) Uani 1 1 d . . . . .
H28 H 0.722762 0.582990 -0.106056 0.062 Uiso 1 1 calc R U . . .
C29 C 0.6532(3) 0.5073(2) -0.03779(19) 0.0489(9) Uani 1 1 d . . . . .
H29 H 0.595937 0.546779 -0.026059 0.059 Uiso 1 1 calc R U . . .
C30 C 0.6621(3) 0.4263(2) -0.00733(16) 0.0372(7) Uani 1 1 d . . . . .
H30 H 0.610669 0.412838 0.025171 0.045 Uiso 1 1 calc R U . . .
C31 C 0.8493(2) 0.18618(19) -0.04460(14) 0.0321(6) Uani 1 1 d . . . . .
C32 C 0.9284(3) 0.1283(2) -0.02646(17) 0.0435(8) Uani 1 1 d . . . . .
H32 H 0.939962 0.124039 0.016809 0.052 Uiso 1 1 calc R U . . .
C33 C 0.9916(3) 0.0757(3) -0.0710(2) 0.0606(11) Uani 1 1 d . . . . .
H33 H 1.043688 0.036323 -0.057079 0.073 Uiso 1 1 calc R U . . .
C34 C 0.9773(3) 0.0820(3) -0.1350(2) 0.0595(11) Uani 1 1 d . . . . .
H34 H 1.019819 0.047443 -0.164996 0.071 Uiso 1 1 calc R U . . .
C35 C 0.9000(3) 0.1395(3) -0.15466(18) 0.0536(10) Uani 1 1 d . . . . .
H35 H 0.889638 0.143558 -0.198179 0.064 Uiso 1 1 calc R U . . .
C36 C 0.8370(3) 0.1916(2) -0.11058(16) 0.0443(8) Uani 1 1 d . . . . .
H36 H 0.785460 0.231078 -0.125099 0.053 Uiso 1 1 calc R U . . .
C37 C 0.6312(2) 0.22236(19) 0.02319(14) 0.0320(6) Uani 1 1 d . . . . .
C38 C 0.6111(3) 0.1609(2) -0.01316(18) 0.0443(8) Uani 1 1 d . . . . .
H38 H 0.661678 0.135615 -0.044416 0.053 Uiso 1 1 calc R U . . .
C39 C 0.5172(3) 0.1364(3) -0.0039(2) 0.0580(11) Uani 1 1 d . . . . .
H39 H 0.505980 0.094524 -0.028450 0.070 Uiso 1 1 calc R U . . .
C40 C 0.4402(3) 0.1738(3) 0.0415(2) 0.0600(11) Uani 1 1 d . . . . .
H40 H 0.377142 0.157486 0.047540 0.072 Uiso 1 1 calc R U . . .
C41 C 0.4577(3) 0.2343(3) 0.0772(2) 0.0565(10) Uani 1 1 d . . . . .
H41 H 0.406162 0.260499 0.107401 0.068 Uiso 1 1 calc R U . . .
C42 C 0.5521(3) 0.2575(2) 0.06874(17) 0.0439(8) Uani 1 1 d . . . . .
H42 H 0.562832 0.298175 0.094600 0.053 Uiso 1 1 calc R U . . .
C43 C 0.8278(2) 0.09067(17) 0.27643(13) 0.0304(6) Uani 1 1 d . . . . .
C44 C 0.9288(3) 0.07096(19) 0.28372(15) 0.0367(7) Uani 1 1 d . . . . .
H44 H 0.968924 0.112784 0.273969 0.044 Uiso 1 1 calc R U . . .
C45 C 0.9713(3) -0.0097(2) 0.30523(19) 0.0518(9) Uani 1 1 d . . . . .
H45 H 1.038998 -0.021429 0.309890 0.062 Uiso 1 1 calc R U . . .
C46 C 0.9120(4) -0.0723(2) 0.3197(2) 0.0605(12) Uani 1 1 d . . . . .
H46 H 0.939076 -0.125998 0.335503 0.073 Uiso 1 1 calc R U . . .
C47 C 0.8137(4) -0.0548(2) 0.31045(19) 0.0555(11) Uani 1 1 d . . . . .
H47 H 0.774363 -0.097265 0.319152 0.067 Uiso 1 1 calc R U . . .
C48 C 0.7719(3) 0.0250(2) 0.28841(16) 0.0407(8) Uani 1 1 d . . . . .
H48 H 0.705130 0.035103 0.281424 0.049 Uiso 1 1 calc R U . . .
C49 C 0.6320(2) 0.2246(2) 0.26743(14) 0.0316(6) Uani 1 1 d . . . . .
C50 C 0.5727(3) 0.1820(2) 0.31633(17) 0.0424(8) Uani 1 1 d . . . . .
H50 H 0.603704 0.137811 0.341974 0.051 Uiso 1 1 calc R U . . .
C51 C 0.4694(3) 0.2038(3) 0.3276(2) 0.0585(11) Uani 1 1 d . . . . .
H51 H 0.432088 0.173874 0.360358 0.070 Uiso 1 1 calc R U . . .
C52 C 0.4210(3) 0.2688(3) 0.2911(2) 0.0625(12) Uani 1 1 d . . . . .
H52 H 0.351237 0.282772 0.298537 0.075 Uiso 1 1 calc R U . . .
C53 C 0.4771(3) 0.3132(3) 0.2433(2) 0.0542(10) Uani 1 1 d . . . . .
H53 H 0.445129 0.357971 0.218628 0.065 Uiso 1 1 calc R U . . .
C54 C 0.5812(3) 0.2916(2) 0.23161(17) 0.0403(7) Uani 1 1 d . . . . .
H54 H 0.617905 0.322533 0.199173 0.048 Uiso 1 1 calc R U . . .
C55 C 0.9953(2) 0.2815(2) 0.17325(14) 0.0317(6) Uani 1 1 d . . . . .
C56 C 1.0479(3) 0.2043(2) 0.15167(19) 0.0491(9) Uani 1 1 d . . . . .
H56 H 1.013676 0.167647 0.135511 0.059 Uiso 1 1 calc R U . . .
C57 C 1.1497(3) 0.1811(3) 0.1538(3) 0.0777(17) Uani 1 1 d . . . . .
H57 H 1.183556 0.129311 0.139207 0.093 Uiso 1 1 calc R U . . .
C58 C 1.2005(3) 0.2343(5) 0.1775(3) 0.088(2) Uani 1 1 d . . . . .
H58 H 1.268683 0.218179 0.179889 0.106 Uiso 1 1 calc R U . . .
C59 C 1.1514(3) 0.3118(4) 0.1977(2) 0.0717(16) Uani 1 1 d . . . . .
H59 H 1.186584 0.348246 0.213152 0.086 Uiso 1 1 calc R U . . .
C60 C 1.0498(3) 0.3352(3) 0.19515(17) 0.0446(8) Uani 1 1 d . . . . .
H60 H 1.017270 0.387933 0.208359 0.053 Uiso 1 1 calc R U . . .
C61 C 0.8119(2) 0.3174(2) 0.50229(14) 0.0326(6) Uani 1 1 d . . . . .
C62 C 0.7820(3) 0.2405(3) 0.61803(17) 0.0567(11) Uani 1 1 d . . . . .
C63 C 0.8831(9) 0.1919(7) 0.6294(6) 0.080(3) Uiso 0.5 1 d . . P . .
C64 C 0.7759(8) 0.3217(7) 0.6670(5) 0.069(2) Uiso 0.5 1 d . . P . .
C65 C 0.6901(9) 0.2115(8) 0.6239(6) 0.074(3) Uiso 0.5 1 d . . P . .
C66 C 0.8240(7) 0.1392(6) 0.6096(4) 0.060(2) Uiso 0.5 1 d . . P . .
C67 C 0.8241(8) 0.2712(7) 0.6663(5) 0.066(2) Uiso 0.5 1 d . . P . .
C68 C 0.6612(6) 0.2435(6) 0.6348(4) 0.0462(17) Uiso 0.5 1 d . . P . .
C69 C 0.8241(2) 0.4978(2) 0.44578(15) 0.0348(7) Uani 1 1 d . . . . .
C70 C 0.8455(3) 0.6294(2) 0.5024(2) 0.0500(9) Uani 1 1 d . . . . .
C71 C 0.9289(9) 0.6715(7) 0.4570(6) 0.067(3) Uiso 0.5 1 d . . P . .
C72 C 0.8892(11) 0.5928(9) 0.5669(7) 0.089(4) Uiso 0.5 1 d . . P . .
C73 C 0.7426(7) 0.6834(6) 0.5168(5) 0.057(2) Uiso 0.5 1 d . . P . .
C74 C 0.9457(9) 0.6504(8) 0.4773(6) 0.073(3) Uiso 0.5 1 d . . P . .
C75 C 0.8442(9) 0.6001(7) 0.5769(5) 0.065(3) Uiso 0.5 1 d . . P . .
C76 C 0.7564(8) 0.6993(7) 0.4886(6) 0.068(3) Uiso 0.5 1 d . . P . .
C77 C 0.6590(3) 0.54947(19) 0.19540(14) 0.0347(7) Uani 1 1 d . . . . .
C78 C 0.4918(3) 0.6459(3) 0.1766(2) 0.0532(10) Uani 1 1 d . . . . .
C79 C 0.4872(6) 0.7350(5) 0.1909(4) 0.078(2) Uiso 0.7 1 d . . P . .
C80 C 0.4892(6) 0.6382(5) 0.1011(4) 0.0691(18) Uiso 0.7 1 d . . P . .
C81 C 0.4087(7) 0.6050(6) 0.2177(5) 0.087(3) Uiso 0.7 1 d . . P . .
C82 C 0.4825(14) 0.7212(12) 0.2303(10) 0.073(4) Uiso 0.3 1 d . . P . .
C83 C 0.5008(14) 0.6820(13) 0.1070(10) 0.077(5) Uiso 0.3 1 d . . P . .
C84 C 0.4096(12) 0.5845(10) 0.1939(8) 0.056(4) Uiso 0.3 1 d . . P . .
C85 C 0.8093(2) 0.49105(18) 0.08551(14) 0.0292(6) Uani 1 1 d . . . . .
C86 C 0.8653(2) 0.63452(18) 0.04405(16) 0.0342(6) Uani 1 1 d . . . . .
C87 C 0.9564(3) 0.6216(3) -0.00792(18) 0.0511(9) Uani 1 1 d . . . . .
H87A H 0.979913 0.674389 -0.020203 0.061 Uiso 1 1 calc R U . . .
H87B H 1.008544 0.581470 0.008883 0.061 Uiso 1 1 calc R U . . .
H87C H 0.939007 0.600540 -0.045633 0.061 Uiso 1 1 calc R U . . .
C88 C 0.7797(3) 0.6949(2) 0.0185(3) 0.0657(12) Uani 1 1 d . . . . .
H88A H 0.799592 0.749311 0.006957 0.079 Uiso 1 1 calc R U . . .
H88B H 0.763852 0.673526 -0.019534 0.079 Uiso 1 1 calc R U . . .
H88C H 0.721626 0.700264 0.051892 0.079 Uiso 1 1 calc R U . . .
C89 C 0.8906(3) 0.6637(2) 0.10559(19) 0.0514(9) Uani 1 1 d . . . . .
H89A H 0.912509 0.717572 0.095973 0.062 Uiso 1 1 calc R U . . .
H89B H 0.831961 0.668979 0.138598 0.062 Uiso 1 1 calc R U . . .
H89C H 0.943349 0.623261 0.121302 0.062 Uiso 1 1 calc R U . . .
C90 C 0.7631(2) 0.09404(18) 0.12034(14) 0.0307(6) Uani 1 1 d . . . . .
C91 C 0.6990(3) -0.0464(2) 0.11289(19) 0.0477(9) Uani 1 1 d . . . . .
C92 C 0.7488(4) -0.1175(2) 0.1560(2) 0.0633(12) Uani 1 1 d . . . . .
H92A H 0.722205 -0.168116 0.153003 0.076 Uiso 1 1 calc R U . . .
H92B H 0.820088 -0.127187 0.141517 0.076 Uiso 1 1 calc R U . . .
H92C H 0.735484 -0.102304 0.200665 0.076 Uiso 1 1 calc R U . . .
C93 C 0.5880(3) -0.0265(3) 0.1362(3) 0.0692(13) Uani 1 1 d . . . . .
H93A H 0.557574 -0.074967 0.133049 0.083 Uiso 1 1 calc R U . . .
H93B H 0.576634 -0.011884 0.180993 0.083 Uiso 1 1 calc R U . . .
H93C H 0.558682 0.020237 0.109406 0.083 Uiso 1 1 calc R U . . .
C94 C 0.7215(4) -0.0658(3) 0.0411(2) 0.0672(13) Uani 1 1 d . . . . .
H94A H 0.694724 -0.115362 0.035481 0.081 Uiso 1 1 calc R U . . .
H94B H 0.691126 -0.018807 0.015063 0.081 Uiso 1 1 calc R U . . .
H94C H 0.793043 -0.075432 0.027346 0.081 Uiso 1 1 calc R U . . .
C95 C 0.5546(8) -0.1248(7) 0.3359(5) 0.129(3) Uiso 0.8 1 d . . P . .
C96 C 0.4888(7) -0.0569(6) 0.3261(5) 0.106(3) Uiso 0.8 1 d . . P . .
C97 C 0.3466(7) -0.0102(6) 0.2524(5) 0.112(3) Uiso 0.8 1 d . . P . .
C98 C 0.2993(7) -0.0381(6) 0.2002(5) 0.118(3) Uiso 0.8 1 d . . P . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C61 1.992(3) . ?
Pd1 C69 2.037(3) . ?
Pd1 Si1 2.3917(8) . ?
Pd1 Si2 2.5410(8) . ?
Pd1 Pd2 2.7914(3) . ?
Pd2 Si1 2.2473(7) . ?
Pd2 Si2 2.3397(8) . ?
Pd2 Si5 2.3974(7) . ?
Pd2 Si4 2.4288(8) . ?
Pd2 Pd3 2.7646(3) . ?
Pd3 C77 2.006(3) . ?
Pd3 C85 2.323(3) . ?
Pd3 Si5 2.3841(7) . ?
Pd3 Si2 2.4545(8) . ?
Pd3 Pd4 2.7670(3) . ?
Pd4 C85 1.989(3) . ?
Pd4 C25 2.371(3) . ?
Pd4 Si5 2.3771(7) . ?
Pd4 Si3 2.5509(8) . ?
Pd4 Pd5 2.7208(3) . ?
Pd5 C90 1.985(3) . ?
Pd5 Si5 2.3394(7) . ?
Pd5 Si3 2.4034(8) . ?
Pd5 Si4 2.4766(8) . ?
Si1 C1 1.879(3) . ?
Si1 C7 1.879(3) . ?
Si2 C13 1.892(3) . ?
Si2 C19 1.895(3) . ?
Si3 C37 1.890(3) . ?
Si3 C31 1.898(3) . ?
Si3 C25 1.923(3) . ?
Si4 C43 1.884(3) . ?
Si4 C49 1.894(3) . ?
Si4 Si5 2.4514(11) . ?
Si5 C55 1.890(3) . ?
O1 C97 1.372(10) . ?
O1 C96 1.577(10) . ?
N1 C61 1.139(4) . ?
N1 C62 1.460(4) . ?
N2 C69 1.143(4) . ?
N2 C70 1.457(4) . ?
N3 C77 1.144(4) . ?
N3 C78 1.451(4) . ?
N4 C85 1.148(4) . ?
N4 C86 1.455(4) . ?
N5 C90 1.145(4) . ?
N5 C91 1.456(4) . ?
C1 C6 1.392(4) . ?
C1 C2 1.399(5) . ?
C2 C3 1.389(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.372(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.395(4) . ?
C7 C12 1.399(5) . ?
C8 C9 1.393(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.364(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.357(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.378(5) . ?
C13 C18 1.394(5) . ?
C14 C15 1.388(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.388(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.378(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.381(5) . ?
C19 C20 1.394(5) . ?
C20 C21 1.382(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.363(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.359(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.385(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C30 1.396(4) . ?
C25 C26 1.404(4) . ?
C26 C27 1.383(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.370(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.374(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.389(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.375(4) . ?
C31 C36 1.397(4) . ?
C32 C33 1.392(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.364(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.364(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.382(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.388(5) . ?
C37 C38 1.390(5) . ?
C38 C39 1.385(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.382(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.354(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.383(5) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.389(5) . ?
C43 C48 1.393(4) . ?
C44 C45 1.390(4) . ?
C44 H44 0.9300 . ?
C45 C46 1.385(6) . ?
C45 H45 0.9300 . ?
C46 C47 1.363(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.380(5) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C50 1.396(5) . ?
C49 C54 1.397(4) . ?
C50 C51 1.378(5) . ?
C50 H50 0.9300 . ?
C51 C52 1.370(6) . ?
C51 H51 0.9300 . ?
C52 C53 1.374(6) . ?
C52 H52 0.9300 . ?
C53 C54 1.388(5) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C60 1.386(5) . ?
C55 C56 1.395(5) . ?
C56 C57 1.382(6) . ?
C56 H56 0.9300 . ?
C57 C58 1.364(9) . ?
C57 H57 0.9300 . ?
C58 C59 1.375(8) . ?
C58 H58 0.9300 . ?
C59 C60 1.381(5) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C62 C65 1.399(12) . ?
C62 C67 1.400(10) . ?
C62 C63 1.505(12) . ?
C62 C68 1.621(9) . ?
C62 C66 1.647(10) . ?
C62 C64 1.713(11) . ?
C63 C66 1.400(14) . ?
C63 C67 1.576(15) . ?
C64 C67 0.951(12) . ?
C65 C68 0.628(12) . ?
C65 C66 1.979(15) . ?
C70 C74 1.468(13) . ?
C70 C73 1.516(10) . ?
C70 C76 1.549(11) . ?
C70 C71 1.562(12) . ?
C70 C72 1.575(15) . ?
C70 C75 1.569(12) . ?
C71 C74 0.567(15) . ?
C72 C75 0.608(16) . ?
C73 C76 0.627(12) . ?
C78 C79 1.482(9) . ?
C78 C81 1.513(10) . ?
C78 C83 1.50(2) . ?
C78 C80 1.586(9) . ?
C78 C84 1.601(17) . ?
C78 C82 1.697(19) . ?
C79 C82 0.821(18) . ?
C79 C83 1.98(2) . ?
C80 C83 0.774(19) . ?
C81 C84 0.617(17) . ?
C86 C87 1.503(5) . ?
C86 C89 1.511(5) . ?
C86 C88 1.515(5) . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C91 C93 1.500(6) . ?
C91 C94 1.519(6) . ?
C91 C92 1.518(5) . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C95 C96 1.309(12) . ?
C97 C98 1.489(13) . ?

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
C61 Pd1 C69 98.45(12) . . ?
C61 Pd1 Si1 77.95(9) . . ?
C69 Pd1 Si1 169.73(9) . . ?
C61 Pd1 Si2 165.74(9) . . ?
C69 Pd1 Si2 83.88(9) . . ?
Si1 Pd1 Si2 101.99(3) . . ?
C61 Pd1 Pd2 128.21(9) . . ?
C69 Pd1 Pd2 133.27(9) . . ?
Si1 Pd1 Pd2 50.674(18) . . ?
Si2 Pd1 Pd2 51.790(18) . . ?
Si1 Pd2 Si2 113.40(3) . . ?
Si1 Pd2 Si5 135.83(3) . . ?
Si2 Pd2 Si5 109.48(3) . . ?
Si1 Pd2 Si4 85.95(3) . . ?
Si2 Pd2 Si4 149.09(3) . . ?
Si5 Pd2 Si4 61.05(3) . . ?
Si1 Pd2 Pd3 169.72(2) . . ?
Si2 Pd2 Pd3 56.752(19) . . ?
Si5 Pd2 Pd3 54.451(18) . . ?
Si4 Pd2 Pd3 101.762(19) . . ?
Si1 Pd2 Pd1 55.41(2) . . ?
Si2 Pd2 Pd1 58.578(19) . . ?
Si5 Pd2 Pd1 158.98(2) . . ?
Si4 Pd2 Pd1 138.44(2) . . ?
Pd3 Pd2 Pd1 115.159(9) . . ?
C77 Pd3 C85 84.07(11) . . ?
C77 Pd3 Si5 156.89(10) . . ?
C85 Pd3 Si5 91.18(7) . . ?
C77 Pd3 Si2 87.99(9) . . ?
C85 Pd3 Si2 151.13(8) . . ?
Si5 Pd3 Si2 106.15(3) . . ?
C77 Pd3 Pd2 130.53(9) . . ?
C85 Pd3 Pd2 144.89(7) . . ?
Si5 Pd3 Pd2 54.902(18) . . ?
Si2 Pd3 Pd2 52.862(18) . . ?
C77 Pd3 Pd4 109.31(9) . . ?
C85 Pd3 Pd4 44.96(7) . . ?
Si5 Pd3 Pd4 54.350(18) . . ?
Si2 Pd3 Pd4 160.13(2) . . ?
Pd2 Pd3 Pd4 107.300(9) . . ?
C85 Pd4 C25 106.10(11) . . ?
C85 Pd4 Si5 100.37(8) . . ?
C25 Pd4 Si5 152.91(7) . . ?
C85 Pd4 Si3 151.87(8) . . ?
C25 Pd4 Si3 45.82(7) . . ?
Si5 Pd4 Si3 107.42(3) . . ?
C85 Pd4 Pd5 154.00(8) . . ?
C25 Pd4 Pd5 99.83(7) . . ?
Si5 Pd4 Pd5 54.124(18) . . ?
Si3 Pd4 Pd5 54.130(18) . . ?
C85 Pd4 Pd3 55.62(8) . . ?
C25 Pd4 Pd3 149.56(7) . . ?
Si5 Pd4 Pd3 54.587(18) . . ?
Si3 Pd4 Pd3 148.56(2) . . ?
Pd5 Pd4 Pd3 99.983(9) . . ?
C90 Pd5 Si5 154.23(8) . . ?
C90 Pd5 Si3 91.43(8) . . ?
Si5 Pd5 Si3 113.81(3) . . ?
C90 Pd5 Si4 96.95(8) . . ?
Si5 Pd5 Si4 61.12(3) . . ?
Si3 Pd5 Si4 159.58(3) . . ?
C90 Pd5 Pd4 150.34(8) . . ?
Si5 Pd5 Pd4 55.419(18) . . ?
Si3 Pd5 Pd4 59.33(2) . . ?
Si4 Pd5 Pd4 109.228(19) . . ?
C1 Si1 C7 109.43(14) . . ?
C1 Si1 Pd2 120.27(10) . . ?
C7 Si1 Pd2 124.31(10) . . ?
C1 Si1 Pd1 107.44(9) . . ?
C7 Si1 Pd1 114.53(10) . . ?
Pd2 Si1 Pd1 73.91(2) . . ?
C13 Si2 C19 111.50(16) . . ?
C13 Si2 Pd2 132.57(12) . . ?
C19 Si2 Pd2 115.90(11) . . ?
C13 Si2 Pd3 95.33(10) . . ?
C19 Si2 Pd3 110.11(10) . . ?
Pd2 Si2 Pd3 70.39(2) . . ?
C13 Si2 Pd1 108.03(10) . . ?
C19 Si2 Pd1 91.61(9) . . ?
Pd2 Si2 Pd1 69.63(2) . . ?
Pd3 Si2 Pd1 139.72(3) . . ?
C37 Si3 C31 107.52(14) . . ?
C37 Si3 C25 103.77(13) . . ?
C31 Si3 C25 103.65(13) . . ?
C37 Si3 Pd5 100.29(9) . . ?
C31 Si3 Pd5 111.42(10) . . ?
C25 Si3 Pd5 128.48(9) . . ?
C37 Si3 Pd4 123.81(10) . . ?
C31 Si3 Pd4 128.43(10) . . ?
C25 Si3 Pd4 62.15(8) . . ?
Pd5 Si3 Pd4 66.54(2) . . ?
C43 Si4 C49 112.66(14) . . ?
C43 Si4 Pd2 122.56(9) . . ?
C49 Si4 Pd2 99.05(9) . . ?
C43 Si4 Si5 130.47(11) . . ?
C49 Si4 Si5 115.76(10) . . ?
Pd2 Si4 Si5 58.84(2) . . ?
C43 Si4 Pd5 106.69(9) . . ?
C49 Si4 Pd5 98.58(9) . . ?
Pd2 Si4 Pd5 114.56(3) . . ?
Si5 Si4 Pd5 56.68(2) . . ?
C55 Si5 Pd5 110.22(11) . . ?
C55 Si5 Pd4 115.95(9) . . ?
Pd5 Si5 Pd4 70.46(2) . . ?
C55 Si5 Pd3 120.49(10) . . ?
Pd5 Si5 Pd3 125.72(3) . . ?
Pd4 Si5 Pd3 71.06(2) . . ?
C55 Si5 Pd2 98.34(10) . . ?
Pd5 Si5 Pd2 121.21(3) . . ?
Pd4 Si5 Pd2 137.86(3) . . ?
Pd3 Si5 Pd2 70.65(2) . . ?
C55 Si5 Si4 109.34(9) . . ?
Pd5 Si5 Si4 62.20(3) . . ?
Pd4 Si5 Si4 122.81(4) . . ?
Pd3 Si5 Si4 113.10(4) . . ?
Pd2 Si5 Si4 60.11(2) . . ?
C97 O1 C96 126.0(6) . . ?
C61 N1 C62 175.3(4) . . ?
C69 N2 C70 179.9(4) . . ?
C77 N3 C78 172.7(4) . . ?
C85 N4 C86 167.7(3) . . ?
C90 N5 C91 171.1(3) . . ?
C6 C1 C2 116.6(3) . . ?
C6 C1 Si1 124.4(2) . . ?
C2 C1 Si1 118.9(2) . . ?
C3 C2 C1 121.9(3) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C4 C3 C2 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.3(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 121.7(3) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C8 C7 C12 117.4(3) . . ?
C8 C7 Si1 124.1(3) . . ?
C12 C7 Si1 118.3(2) . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C10 C9 C8 120.3(4) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 120.4(4) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.4(4) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 120.8(4) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
C14 C13 C18 117.0(4) . . ?
C14 C13 Si2 119.0(3) . . ?
C18 C13 Si2 123.9(3) . . ?
C13 C14 C15 121.8(5) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 H14 119.1 . . ?
C16 C15 C14 119.1(6) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C17 C16 C15 120.2(4) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 119.9(5) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 121.8(5) . . ?
C17 C18 H18 119.1 . . ?
C13 C18 H18 119.1 . . ?
C24 C19 C20 116.7(3) . . ?
C24 C19 Si2 117.9(2) . . ?
C20 C19 Si2 125.0(3) . . ?
C21 C20 C19 121.1(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.7(4) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.1(5) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 121.8(4) . . ?
C19 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C30 C25 C26 115.8(3) . . ?
C30 C25 Si3 122.6(2) . . ?
C26 C25 Si3 121.5(2) . . ?
C30 C25 Pd4 89.72(19) . . ?
C26 C25 Pd4 107.0(2) . . ?
Si3 C25 Pd4 72.02(9) . . ?
C27 C26 C25 122.1(3) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C28 C27 C26 120.2(4) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 C27 119.8(3) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 119.9(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 122.1(3) . . ?
C29 C30 H30 118.9 . . ?
C25 C30 H30 118.9 . . ?
C32 C31 C36 116.7(3) . . ?
C32 C31 Si3 120.8(2) . . ?
C36 C31 Si3 122.4(3) . . ?
C31 C32 C33 121.9(3) . . ?
C31 C32 H32 119.0 . . ?
C33 C32 H32 119.0 . . ?
C34 C33 C32 120.0(4) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 119.4(4) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C34 C35 C36 120.7(4) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C31 121.2(4) . . ?
C35 C36 H36 119.4 . . ?
C31 C36 H36 119.4 . . ?
C42 C37 C38 116.1(3) . . ?
C42 C37 Si3 119.9(2) . . ?
C38 C37 Si3 123.8(3) . . ?
C39 C38 C37 121.5(4) . . ?
C39 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C40 C39 C38 120.5(4) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C41 C40 C39 119.2(4) . . ?
C41 C40 H40 120.4 . . ?
C39 C40 H40 120.4 . . ?
C40 C41 C42 120.2(4) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C37 C42 C41 122.5(4) . . ?
C37 C42 H42 118.7 . . ?
C41 C42 H42 118.7 . . ?
C44 C43 C48 117.1(3) . . ?
C44 C43 Si4 119.4(2) . . ?
C48 C43 Si4 123.5(3) . . ?
C43 C44 C45 121.7(3) . . ?
C43 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C46 C45 C44 119.5(4) . . ?
C46 C45 H45 120.2 . . ?
C44 C45 H45 120.2 . . ?
C47 C46 C45 119.5(3) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C46 C47 C48 120.9(4) . . ?
C46 C47 H47 119.5 . . ?
C48 C47 H47 119.5 . . ?
C47 C48 C43 121.2(4) . . ?
C47 C48 H48 119.4 . . ?
C43 C48 H48 119.4 . . ?
C50 C49 C54 116.4(3) . . ?
C50 C49 Si4 125.3(3) . . ?
C54 C49 Si4 118.3(2) . . ?
C51 C50 C49 121.7(4) . . ?
C51 C50 H50 119.2 . . ?
C49 C50 H50 119.2 . . ?
C52 C51 C50 120.9(4) . . ?
C52 C51 H51 119.5 . . ?
C50 C51 H51 119.5 . . ?
C51 C52 C53 119.0(4) . . ?
C51 C52 H52 120.5 . . ?
C53 C52 H52 120.5 . . ?
C52 C53 C54 120.5(4) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C53 C54 C49 121.5(3) . . ?
C53 C54 H54 119.2 . . ?
C49 C54 H54 119.2 . . ?
C60 C55 C56 117.4(3) . . ?
C60 C55 Si5 121.0(3) . . ?
C56 C55 Si5 121.4(3) . . ?
C57 C56 C55 121.3(5) . . ?
C57 C56 H56 119.4 . . ?
C55 C56 H56 119.4 . . ?
C58 C57 C56 119.8(5) . . ?
C58 C57 H57 120.1 . . ?
C56 C57 H57 120.1 . . ?
C59 C58 C57 120.4(4) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 119.8(5) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C55 C60 C59 121.3(4) . . ?
C55 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
N1 C61 Pd1 173.2(3) . . ?
C65 C62 C67 128.7(7) . . ?
C65 C62 N1 109.1(6) . . ?
C67 C62 N1 113.3(5) . . ?
C65 C62 C63 128.8(7) . . ?
C67 C62 C63 65.6(6) . . ?
N1 C62 C63 104.1(5) . . ?
C65 C62 C68 22.5(5) . . ?
C67 C62 C68 114.3(6) . . ?
N1 C62 C68 107.0(4) . . ?
C63 C62 C68 145.1(6) . . ?
C65 C62 C66 80.6(7) . . ?
C67 C62 C66 111.7(6) . . ?
N1 C62 C66 107.3(4) . . ?
C63 C62 C66 52.5(5) . . ?
C68 C62 C66 102.5(5) . . ?
C65 C62 C64 112.4(7) . . ?
C67 C62 C64 33.7(5) . . ?
N1 C62 C64 99.9(5) . . ?
C63 C62 C64 98.6(6) . . ?
C68 C62 C64 91.3(5) . . ?
C66 C62 C64 144.0(5) . . ?
C66 C63 C62 68.9(7) . . ?
C66 C63 C67 116.0(9) . . ?
C62 C63 C67 54.0(6) . . ?
C67 C64 C62 54.8(8) . . ?
C68 C65 C62 99.1(17) . . ?
C68 C65 C66 151.5(18) . . ?
C62 C65 C66 55.2(5) . . ?
C63 C66 C62 58.6(6) . . ?
C63 C66 C65 100.2(8) . . ?
C62 C66 C65 44.2(4) . . ?
C64 C67 C62 91.5(10) . . ?
C64 C67 C63 149.5(13) . . ?
C62 C67 C63 60.4(6) . . ?
C65 C68 C62 58.4(14) . . ?
N2 C69 Pd1 170.2(3) . . ?
N2 C70 C74 108.5(6) . . ?
N2 C70 C73 107.7(4) . . ?
C74 C70 C73 132.4(7) . . ?
N2 C70 C76 106.1(5) . . ?
C74 C70 C76 115.0(7) . . ?
C73 C70 C76 23.6(5) . . ?
N2 C70 C71 107.1(5) . . ?
C74 C70 C71 21.3(6) . . ?
C73 C70 C71 116.8(6) . . ?
C76 C70 C71 96.1(7) . . ?
N2 C70 C72 105.1(6) . . ?
C74 C70 C72 86.6(7) . . ?
C73 C70 C72 112.2(7) . . ?
C76 C70 C72 133.0(7) . . ?
C71 C70 C72 107.2(7) . . ?
N2 C70 C75 105.7(5) . . ?
C74 C70 C75 107.2(7) . . ?
C73 C70 C75 91.4(6) . . ?
C76 C70 C75 113.9(7) . . ?
C71 C70 C75 126.4(6) . . ?
C72 C70 C75 22.3(6) . . ?
C74 C71 C70 70(2) . . ?
C75 C72 C70 78(2) . . ?
C76 C73 C70 81.2(16) . . ?
C71 C74 C70 89(2) . . ?
C72 C75 C70 79(2) . . ?
C73 C76 C70 75.2(15) . . ?
N3 C77 Pd3 166.1(3) . . ?
N3 C78 C79 110.5(4) . . ?
N3 C78 C81 107.9(5) . . ?
C79 C78 C81 112.9(6) . . ?
N3 C78 C83 109.4(8) . . ?
C79 C78 C83 83.2(9) . . ?
C81 C78 C83 130.1(9) . . ?
N3 C78 C80 104.3(4) . . ?
C79 C78 C80 111.2(5) . . ?
C81 C78 C80 109.6(6) . . ?
C83 C78 C80 28.9(7) . . ?
N3 C78 C84 106.7(6) . . ?
C79 C78 C84 131.1(7) . . ?
C81 C78 C84 22.6(6) . . ?
C83 C78 C84 113.1(10) . . ?
C80 C78 C84 88.6(7) . . ?
N3 C78 C82 99.2(7) . . ?
C79 C78 C82 28.9(6) . . ?
C81 C78 C82 93.0(8) . . ?
C83 C78 C82 112.1(11) . . ?
C80 C78 C82 139.9(8) . . ?
C84 C78 C82 115.2(9) . . ?
C82 C79 C78 90.3(16) . . ?
C82 C79 C83 139.0(17) . . ?
C78 C79 C83 48.7(7) . . ?
C83 C80 C78 69.1(16) . . ?
C84 C81 C78 87(2) . . ?
C79 C82 C78 60.8(14) . . ?
C80 C83 C78 82.0(18) . . ?
C80 C83 C79 128(2) . . ?
C78 C83 C79 48.1(6) . . ?
C81 C84 C78 71(2) . . ?
N4 C85 Pd4 150.1(3) . . ?
N4 C85 Pd3 130.0(2) . . ?
Pd4 C85 Pd3 79.42(10) . . ?
N4 C86 C87 107.4(3) . . ?
N4 C86 C89 107.5(3) . . ?
C87 C86 C89 111.2(3) . . ?
N4 C86 C88 107.9(3) . . ?
C87 C86 C88 111.1(3) . . ?
C89 C86 C88 111.5(3) . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C86 C88 H88A 109.5 . . ?
C86 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C86 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C86 C89 H89A 109.5 . . ?
C86 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C86 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
N5 C90 Pd5 176.1(3) . . ?
N5 C91 C93 107.1(3) . . ?
N5 C91 C94 107.3(3) . . ?
C93 C91 C94 111.8(4) . . ?
N5 C91 C92 107.9(3) . . ?
C93 C91 C92 111.0(4) . . ?
C94 C91 C92 111.5(4) . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C91 C94 H94A 109.5 . . ?
C91 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C91 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C95 C96 O1 111.7(8) . . ?
O1 C97 C98 114.2(8) . . ?

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
C7 Si1 C1 C6 -21.9(3) . . . . ?
Pd2 Si1 C1 C6 -175.8(2) . . . . ?
Pd1 Si1 C1 C6 103.0(3) . . . . ?
C7 Si1 C1 C2 161.4(2) . . . . ?
Pd2 Si1 C1 C2 7.5(3) . . . . ?
Pd1 Si1 C1 C2 -73.7(2) . . . . ?
C6 C1 C2 C3 0.9(5) . . . . ?
Si1 C1 C2 C3 177.8(3) . . . . ?
C1 C2 C3 C4 -0.7(6) . . . . ?
C2 C3 C4 C5 0.5(6) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C4 C5 C6 C1 0.6(6) . . . . ?
C2 C1 C6 C5 -0.8(5) . . . . ?
Si1 C1 C6 C5 -177.5(3) . . . . ?
C1 Si1 C7 C8 -35.5(3) . . . . ?
Pd2 Si1 C7 C8 117.1(2) . . . . ?
Pd1 Si1 C7 C8 -156.2(2) . . . . ?
C1 Si1 C7 C12 149.9(2) . . . . ?
Pd2 Si1 C7 C12 -57.5(3) . . . . ?
Pd1 Si1 C7 C12 29.2(3) . . . . ?
C12 C7 C8 C9 -0.6(5) . . . . ?
Si1 C7 C8 C9 -175.2(3) . . . . ?
C7 C8 C9 C10 0.1(5) . . . . ?
C8 C9 C10 C11 0.4(6) . . . . ?
C9 C10 C11 C12 -0.3(6) . . . . ?
C10 C11 C12 C7 -0.3(6) . . . . ?
C8 C7 C12 C11 0.7(5) . . . . ?
Si1 C7 C12 C11 175.7(3) . . . . ?
C19 Si2 C13 C14 154.7(3) . . . . ?
Pd2 Si2 C13 C14 -23.1(3) . . . . ?
Pd3 Si2 C13 C14 -91.2(3) . . . . ?
Pd1 Si2 C13 C14 55.5(3) . . . . ?
C19 Si2 C13 C18 -29.8(3) . . . . ?
Pd2 Si2 C13 C18 152.4(2) . . . . ?
Pd3 Si2 C13 C18 84.3(3) . . . . ?
Pd1 Si2 C13 C18 -129.0(3) . . . . ?
C18 C13 C14 C15 -2.1(5) . . . . ?
Si2 C13 C14 C15 173.7(3) . . . . ?
C13 C14 C15 C16 2.7(6) . . . . ?
C14 C15 C16 C17 -0.8(7) . . . . ?
C15 C16 C17 C18 -1.7(7) . . . . ?
C16 C17 C18 C13 2.3(7) . . . . ?
C14 C13 C18 C17 -0.5(5) . . . . ?
Si2 C13 C18 C17 -176.0(3) . . . . ?
C13 Si2 C19 C24 160.8(3) . . . . ?
Pd2 Si2 C19 C24 -21.0(3) . . . . ?
Pd3 Si2 C19 C24 56.3(3) . . . . ?
Pd1 Si2 C19 C24 -89.1(3) . . . . ?
C13 Si2 C19 C20 -25.9(3) . . . . ?
Pd2 Si2 C19 C20 152.2(3) . . . . ?
Pd3 Si2 C19 C20 -130.4(3) . . . . ?
Pd1 Si2 C19 C20 84.2(3) . . . . ?
C24 C19 C20 C21 1.6(6) . . . . ?
Si2 C19 C20 C21 -171.7(3) . . . . ?
C19 C20 C21 C22 -1.1(7) . . . . ?
C20 C21 C22 C23 -0.1(7) . . . . ?
C21 C22 C23 C24 0.8(7) . . . . ?
C20 C19 C24 C23 -0.9(6) . . . . ?
Si2 C19 C24 C23 172.9(3) . . . . ?
C22 C23 C24 C19 -0.2(7) . . . . ?
C30 C25 C26 C27 -2.2(5) . . . . ?
Si3 C25 C26 C27 -179.3(3) . . . . ?
Pd4 C25 C26 C27 -100.4(3) . . . . ?
C25 C26 C27 C28 0.7(6) . . . . ?
C26 C27 C28 C29 0.8(6) . . . . ?
C27 C28 C29 C30 -0.7(6) . . . . ?
C28 C29 C30 C25 -0.9(5) . . . . ?
C26 C25 C30 C29 2.3(5) . . . . ?
Si3 C25 C30 C29 179.4(3) . . . . ?
Pd4 C25 C30 C29 111.1(3) . . . . ?
C37 Si3 C31 C32 -115.8(3) . . . . ?
C25 Si3 C31 C32 134.7(3) . . . . ?
Pd5 Si3 C31 C32 -6.9(3) . . . . ?
Pd4 Si3 C31 C32 69.6(3) . . . . ?
C37 Si3 C31 C36 62.3(3) . . . . ?
C25 Si3 C31 C36 -47.2(3) . . . . ?
Pd5 Si3 C31 C36 171.3(3) . . . . ?
Pd4 Si3 C31 C36 -112.3(3) . . . . ?
C36 C31 C32 C33 -1.8(5) . . . . ?
Si3 C31 C32 C33 176.5(3) . . . . ?
C31 C32 C33 C34 1.3(7) . . . . ?
C32 C33 C34 C35 -0.7(7) . . . . ?
C33 C34 C35 C36 0.6(7) . . . . ?
C34 C35 C36 C31 -1.1(6) . . . . ?
C32 C31 C36 C35 1.7(5) . . . . ?
Si3 C31 C36 C35 -176.5(3) . . . . ?
C31 Si3 C37 C42 175.9(3) . . . . ?
C25 Si3 C37 C42 -74.7(3) . . . . ?
Pd5 Si3 C37 C42 59.4(3) . . . . ?
Pd4 Si3 C37 C42 -9.2(3) . . . . ?
C31 Si3 C37 C38 1.2(3) . . . . ?
C25 Si3 C37 C38 110.6(3) . . . . ?
Pd5 Si3 C37 C38 -115.3(3) . . . . ?
Pd4 Si3 C37 C38 176.1(2) . . . . ?
C42 C37 C38 C39 -0.2(5) . . . . ?
Si3 C37 C38 C39 174.7(3) . . . . ?
C37 C38 C39 C40 0.9(6) . . . . ?
C38 C39 C40 C41 -0.3(7) . . . . ?
C39 C40 C41 C42 -1.0(7) . . . . ?
C38 C37 C42 C41 -1.1(5) . . . . ?
Si3 C37 C42 C41 -176.2(3) . . . . ?
C40 C41 C42 C37 1.7(6) . . . . ?
C49 Si4 C43 C44 -162.0(2) . . . . ?
Pd2 Si4 C43 C44 -44.0(3) . . . . ?
Si5 Si4 C43 C44 30.8(3) . . . . ?
Pd5 Si4 C43 C44 90.9(2) . . . . ?
C49 Si4 C43 C48 19.8(3) . . . . ?
Pd2 Si4 C43 C48 137.8(2) . . . . ?
Si5 Si4 C43 C48 -147.4(2) . . . . ?
Pd5 Si4 C43 C48 -87.3(3) . . . . ?
C48 C43 C44 C45 -3.2(5) . . . . ?
Si4 C43 C44 C45 178.5(3) . . . . ?
C43 C44 C45 C46 0.2(5) . . . . ?
C44 C45 C46 C47 2.2(6) . . . . ?
C45 C46 C47 C48 -1.5(6) . . . . ?
C46 C47 C48 C43 -1.6(6) . . . . ?
C44 C43 C48 C47 3.9(5) . . . . ?
Si4 C43 C48 C47 -177.9(3) . . . . ?
C43 Si4 C49 C50 24.3(3) . . . . ?
Pd2 Si4 C49 C50 -106.8(3) . . . . ?
Si5 Si4 C49 C50 -166.5(2) . . . . ?
Pd5 Si4 C49 C50 136.5(3) . . . . ?
C43 Si4 C49 C54 -158.7(2) . . . . ?
Pd2 Si4 C49 C54 70.2(2) . . . . ?
Si5 Si4 C49 C54 10.5(3) . . . . ?
Pd5 Si4 C49 C54 -46.5(3) . . . . ?
C54 C49 C50 C51 1.4(5) . . . . ?
Si4 C49 C50 C51 178.4(3) . . . . ?
C49 C50 C51 C52 -0.4(6) . . . . ?
C50 C51 C52 C53 -0.8(7) . . . . ?
C51 C52 C53 C54 0.9(7) . . . . ?
C52 C53 C54 C49 0.2(6) . . . . ?
C50 C49 C54 C53 -1.3(5) . . . . ?
Si4 C49 C54 C53 -178.6(3) . . . . ?
Pd5 Si5 C55 C60 175.1(2) . . . . ?
Pd4 Si5 C55 C60 97.6(2) . . . . ?
Pd3 Si5 C55 C60 15.2(3) . . . . ?
Pd2 Si5 C55 C60 -57.2(2) . . . . ?
Si4 Si5 C55 C60 -118.3(2) . . . . ?
Pd5 Si5 C55 C56 -9.0(3) . . . . ?
Pd4 Si5 C55 C56 -86.4(3) . . . . ?
Pd3 Si5 C55 C56 -168.8(2) . . . . ?
Pd2 Si5 C55 C56 118.8(3) . . . . ?
Si4 Si5 C55 C56 57.6(3) . . . . ?
C60 C55 C56 C57 1.8(5) . . . . ?
Si5 C55 C56 C57 -174.2(3) . . . . ?
C55 C56 C57 C58 0.0(6) . . . . ?
C56 C57 C58 C59 -1.5(7) . . . . ?
C57 C58 C59 C60 1.1(7) . . . . ?
C56 C55 C60 C59 -2.3(5) . . . . ?
Si5 C55 C60 C59 173.8(3) . . . . ?
C58 C59 C60 C55 0.9(6) . . . . ?
C65 C62 C63 C66 28.3(10) . . . . ?
C67 C62 C63 C66 149.3(8) . . . . ?
N1 C62 C63 C66 -101.2(6) . . . . ?
C68 C62 C63 C66 51.3(12) . . . . ?
C64 C62 C63 C66 156.3(6) . . . . ?
C65 C62 C63 C67 -121.1(9) . . . . ?
N1 C62 C63 C67 109.5(6) . . . . ?
C68 C62 C63 C67 -98.0(11) . . . . ?
C66 C62 C63 C67 -149.3(8) . . . . ?
C64 C62 C63 C67 6.9(7) . . . . ?
C65 C62 C64 C67 126.9(11) . . . . ?
N1 C62 C64 C67 -117.5(10) . . . . ?
C63 C62 C64 C67 -11.4(11) . . . . ?
C68 C62 C64 C67 135.0(10) . . . . ?
C66 C62 C64 C67 21.5(14) . . . . ?
C67 C62 C65 C68 56.3(19) . . . . ?
N1 C62 C65 C68 -88.2(16) . . . . ?
C63 C62 C65 C68 144.2(15) . . . . ?
C66 C62 C65 C68 166.6(17) . . . . ?
C64 C62 C65 C68 21.6(18) . . . . ?
C67 C62 C65 C66 -110.3(8) . . . . ?
N1 C62 C65 C66 105.2(5) . . . . ?
C63 C62 C65 C66 -22.4(8) . . . . ?
C68 C62 C65 C66 -166.6(17) . . . . ?
C64 C62 C65 C66 -145.0(6) . . . . ?
C67 C63 C66 C62 27.3(7) . . . . ?
C62 C63 C66 C65 -15.4(6) . . . . ?
C67 C63 C66 C65 11.9(11) . . . . ?
C65 C62 C66 C63 -158.0(8) . . . . ?
C67 C62 C66 C63 -30.0(8) . . . . ?
N1 C62 C66 C63 94.7(7) . . . . ?
C68 C62 C66 C63 -152.8(7) . . . . ?
C64 C62 C66 C63 -42.6(11) . . . . ?
C67 C62 C66 C65 128.0(7) . . . . ?
N1 C62 C66 C65 -107.3(6) . . . . ?
C63 C62 C66 C65 158.0(8) . . . . ?
C68 C62 C66 C65 5.2(7) . . . . ?
C64 C62 C66 C65 115.4(10) . . . . ?
C62 C64 C67 C63 22(2) . . . . ?
C65 C62 C67 C64 -71.3(13) . . . . ?
N1 C62 C67 C64 72.0(10) . . . . ?
C63 C62 C67 C64 167.6(12) . . . . ?
C68 C62 C67 C64 -50.8(11) . . . . ?
C66 C62 C67 C64 -166.6(9) . . . . ?
C65 C62 C67 C63 121.2(9) . . . . ?
N1 C62 C67 C63 -95.5(6) . . . . ?
C68 C62 C67 C63 141.6(7) . . . . ?
C66 C62 C67 C63 25.8(7) . . . . ?
C64 C62 C67 C63 -167.6(12) . . . . ?
C66 C63 C67 C64 -57(3) . . . . ?
C62 C63 C67 C64 -25(2) . . . . ?
C66 C63 C67 C62 -32.0(8) . . . . ?
C66 C65 C68 C62 24(3) . . . . ?
C67 C62 C68 C65 -134.6(17) . . . . ?
N1 C62 C68 C65 99.2(17) . . . . ?
C63 C62 C68 C65 -53(2) . . . . ?
C66 C62 C68 C65 -13.5(17) . . . . ?
C64 C62 C68 C65 -160.1(17) . . . . ?
N2 C70 C71 C74 -97(2) . . . . ?
C73 C70 C71 C74 142(2) . . . . ?
C76 C70 C71 C74 154(2) . . . . ?
C72 C70 C71 C74 15(2) . . . . ?
C75 C70 C71 C74 28(2) . . . . ?
N2 C70 C72 C75 -95(2) . . . . ?
C74 C70 C72 C75 157(2) . . . . ?
C73 C70 C72 C75 22(2) . . . . ?
C76 C70 C72 C75 36(2) . . . . ?
C71 C70 C72 C75 151.7(19) . . . . ?
N2 C70 C73 C76 -89.7(16) . . . . ?
C74 C70 C73 C76 48.4(19) . . . . ?
C71 C70 C73 C76 30.8(17) . . . . ?
C72 C70 C73 C76 155.1(15) . . . . ?
C75 C70 C73 C76 163.4(16) . . . . ?
N2 C70 C74 C71 90(2) . . . . ?
C73 C70 C74 C71 -48(2) . . . . ?
C76 C70 C74 C71 -29(2) . . . . ?
C72 C70 C74 C71 -165(2) . . . . ?
C75 C70 C74 C71 -157(2) . . . . ?
N2 C70 C75 C72 92(2) . . . . ?
C74 C70 C75 C72 -24(2) . . . . ?
C73 C70 C75 C72 -159(2) . . . . ?
C76 C70 C75 C72 -152.2(19) . . . . ?
C71 C70 C75 C72 -34(2) . . . . ?
N2 C70 C76 C73 97.6(15) . . . . ?
C74 C70 C76 C73 -142.5(15) . . . . ?
C71 C70 C76 C73 -152.6(16) . . . . ?
C72 C70 C76 C73 -32(2) . . . . ?
C75 C70 C76 C73 -18.2(17) . . . . ?
N3 C78 C79 C82 -71.3(16) . . . . ?
C81 C78 C79 C82 49.7(16) . . . . ?
C83 C78 C79 C82 -179.5(17) . . . . ?
C80 C78 C79 C82 173.4(15) . . . . ?
C84 C78 C79 C82 65.7(18) . . . . ?
N3 C78 C79 C83 108.2(8) . . . . ?
C81 C78 C79 C83 -130.8(9) . . . . ?
C80 C78 C79 C83 -7.1(9) . . . . ?
C84 C78 C79 C83 -114.8(12) . . . . ?
C82 C78 C79 C83 179.5(17) . . . . ?
N3 C78 C80 C83 -104.3(17) . . . . ?
C79 C78 C80 C83 14.8(18) . . . . ?
C81 C78 C80 C83 140.3(18) . . . . ?
C84 C78 C80 C83 148.9(18) . . . . ?
C82 C78 C80 C83 20(2) . . . . ?
N3 C78 C81 C84 -90(2) . . . . ?
C79 C78 C81 C84 147(2) . . . . ?
C83 C78 C81 C84 46(2) . . . . ?
C80 C78 C81 C84 23(2) . . . . ?
C82 C78 C81 C84 169(2) . . . . ?
C83 C79 C82 C78 -1(2) . . . . ?
N3 C78 C82 C79 116.0(14) . . . . ?
C81 C78 C82 C79 -135.3(15) . . . . ?
C83 C78 C82 C79 0.6(19) . . . . ?
C80 C78 C82 C79 -10(2) . . . . ?
C84 C78 C82 C79 -130.6(14) . . . . ?
C78 C80 C83 C79 -13.2(16) . . . . ?
N3 C78 C83 C80 84.5(17) . . . . ?
C79 C78 C83 C80 -166.2(17) . . . . ?
C81 C78 C83 C80 -52(2) . . . . ?
C84 C78 C83 C80 -34(2) . . . . ?
C82 C78 C83 C80 -166.4(15) . . . . ?
N3 C78 C83 C79 -109.3(6) . . . . ?
C81 C78 C83 C79 114.3(10) . . . . ?
C80 C78 C83 C79 166.2(17) . . . . ?
C84 C78 C83 C79 132.0(8) . . . . ?
C82 C78 C83 C79 -0.3(9) . . . . ?
N3 C78 C84 C81 97(2) . . . . ?
C79 C78 C84 C81 -41(2) . . . . ?
C83 C78 C84 C81 -143(2) . . . . ?
C80 C78 C84 C81 -159(2) . . . . ?
C82 C78 C84 C81 -12(2) . . . . ?
C86 N4 C85 Pd4 -153.3(11) . . . . ?
C86 N4 C85 Pd3 14.2(16) . . . . ?
C85 N4 C86 C87 121.5(14) . . . . ?
C85 N4 C86 C89 1.8(15) . . . . ?
C85 N4 C86 C88 -118.6(14) . . . . ?
C97 O1 C96 C95 179.4(8) . . . . ?
C96 O1 C97 C98 178.0(7) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_Pd6(SiPh2)2(SiPh3)(SiPh)(CNtBu)6
_database_code_depnum_ccdc_archive 'CCDC 2078824'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-04-20 deposited with the CCDC.	2021-07-06 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C78 H94 N8 Pd6 Si4'
_chemical_formula_moiety         'C78 H94 N8 Pd6 Si4'
_chemical_formula_weight         1894.40
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
_space_group_IT_number           15
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
#------------------------------------------------------------------------------
_cell_length_a                   16.2926(6)
_cell_length_b                   26.0709(10)
_cell_length_c                   40.5668(15)
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.103(3)
_cell_angle_gamma                90.0000
_cell_volume                     17099.0(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    17041
_cell_measurement_theta_min      1.65
_cell_measurement_theta_max      29.05
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7600.00
_exptl_absorpt_coefficient_mu    1.335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.940
_exptl_absorpt_correction_T_max  0.974

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            80958
_diffrn_reflns_av_unetI/netI     ?
_diffrn_reflns_av_R_equivalents  0.1748
_diffrn_reflns_theta_max         31.217
_diffrn_reflns_theta_min         1.482
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.899
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       58
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             24997
_reflns_number_gt                8631
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.2807
_refine_ls_R_factor_gt           0.0876
_refine_ls_wR_factor_ref         0.2170
_refine_ls_wR_factor_gt          0.1529
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         18387
_refine_ls_number_parameters     886
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0594P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.61708(5) 0.63516(3) 0.34274(2) 0.0333(2) Uani 1 1 d . . . . .
Pd2 Pd 0.71114(5) 0.57183(3) 0.38644(2) 0.0350(2) Uani 1 1 d . . . . .
Pd3 Pd 0.87787(5) 0.59045(3) 0.40291(2) 0.0401(2) Uani 1 1 d . . . . .
Pd4 Pd 0.91451(5) 0.49474(3) 0.38404(2) 0.0411(2) Uani 1 1 d . . . . .
Pd5 Pd 0.76877(5) 0.43587(3) 0.38111(2) 0.0421(2) Uani 1 1 d . . . . .
Pd6 Pd 0.64475(5) 0.48416(3) 0.41008(2) 0.0369(2) Uani 1 1 d . . . . .
Si1 Si 0.57310(17) 0.55900(11) 0.37535(6) 0.0333(7) Uani 1 1 d . . . . .
Si2 Si 0.76617(18) 0.64436(12) 0.36775(7) 0.0382(7) Uani 1 1 d . . . . .
Si3 Si 0.88227(19) 0.41861(13) 0.34969(7) 0.0436(8) Uani 1 1 d . . . . .
Si4 Si 0.79873(18) 0.51172(11) 0.41164(7) 0.0347(7) Uani 1 1 d . . . . .
N1 N 0.4406(6) 0.6227(4) 0.3029(2) 0.047(3) Uani 1 1 d . . . . .
N2 N 0.6581(6) 0.7412(4) 0.3115(2) 0.051(3) Uani 1 1 d . . . . .
N3 N 0.9214(7) 0.6666(5) 0.4613(3) 0.077(4) Uani 1 1 d . . . . .
N4 N 1.0541(6) 0.5718(4) 0.3891(3) 0.065(3) Uani 1 1 d . . . . .
N5 N 0.6701(6) 0.3489(4) 0.3395(2) 0.059(3) Uani 1 1 d . . . . .
N6 N 0.6983(7) 0.3777(4) 0.4383(3) 0.072(3) Uani 1 1 d . . . . .
N7 N 0.4787(6) 0.4786(4) 0.4426(2) 0.045(2) Uani 1 1 d . . . . .
C1 C 0.5040(6) 0.5938(4) 0.4011(2) 0.037(3) Uani 1 1 d . . . . .
C2 C 0.5397(8) 0.6155(4) 0.4305(3) 0.053(3) Uani 1 1 d . . . . .
H2 H 0.594694 0.607591 0.437519 0.064 Uiso 1 1 calc R U . . .
C3 C 0.5002(11) 0.6481(5) 0.4502(3) 0.076(4) Uani 1 1 d . . . . .
H3 H 0.528596 0.662500 0.469231 0.091 Uiso 1 1 calc R U . . .
C4 C 0.4191(11) 0.6585(6) 0.4411(4) 0.083(5) Uani 1 1 d . . . . .
H4 H 0.391012 0.679572 0.454484 0.099 Uiso 1 1 calc R U . . .
C5 C 0.3784(9) 0.6386(6) 0.4128(4) 0.093(5) Uani 1 1 d . . . . .
H5 H 0.322970 0.646168 0.406277 0.111 Uiso 1 1 calc R U . . .
C6 C 0.4228(7) 0.6059(5) 0.3933(3) 0.056(3) Uani 1 1 d . . . . .
H6 H 0.394662 0.591952 0.374007 0.068 Uiso 1 1 calc R U . . .
C7 C 0.5134(6) 0.5125(4) 0.3463(2) 0.037(3) Uani 1 1 d . . . . .
C8 C 0.4420(6) 0.4875(5) 0.3519(3) 0.051(3) Uani 1 1 d . . . . .
H8 H 0.416597 0.496781 0.370335 0.061 Uiso 1 1 calc R U . . .
C9 C 0.4063(8) 0.4491(5) 0.3312(3) 0.067(4) Uani 1 1 d . . . . .
H9 H 0.358515 0.432712 0.335982 0.080 Uiso 1 1 calc R U . . .
C10 C 0.4416(8) 0.4355(5) 0.3039(3) 0.060(4) Uani 1 1 d . . . . .
H10 H 0.418044 0.410278 0.289537 0.072 Uiso 1 1 calc R U . . .
C11 C 0.5115(8) 0.4596(5) 0.2982(3) 0.066(4) Uani 1 1 d . . . . .
H11 H 0.536736 0.449712 0.279842 0.079 Uiso 1 1 calc R U . . .
C12 C 0.5470(7) 0.4978(4) 0.3181(3) 0.047(3) Uani 1 1 d . . . . .
H12 H 0.594275 0.514077 0.312589 0.057 Uiso 1 1 calc R U . . .
C13 C 0.7746(7) 0.7113(5) 0.3869(2) 0.049(3) Uani 1 1 d . . . . .
C14 C 0.7050(8) 0.7316(5) 0.3994(3) 0.056(3) Uani 1 1 d . . . . .
H14 H 0.656744 0.712310 0.398343 0.067 Uiso 1 1 calc R U . . .
C15 C 0.7077(11) 0.7803(6) 0.4135(3) 0.079(5) Uani 1 1 d . . . . .
H15 H 0.662207 0.793358 0.422455 0.095 Uiso 1 1 calc R U . . .
C16 C 0.7774(14) 0.8081(6) 0.4138(4) 0.104(6) Uani 1 1 d . . . . .
H16 H 0.776409 0.841659 0.421476 0.124 Uiso 1 1 calc R U . . .
C17 C 0.8493(11) 0.7909(6) 0.4038(4) 0.100(6) Uani 1 1 d . . . . .
H17 H 0.897694 0.810116 0.406449 0.120 Uiso 1 1 calc R U . . .
C18 C 0.8451(8) 0.7422(5) 0.3892(3) 0.067(4) Uani 1 1 d . . . . .
H18 H 0.891632 0.729756 0.380664 0.080 Uiso 1 1 calc R U . . .
C19 C 0.8266(6) 0.6410(4) 0.3302(3) 0.041(3) Uani 1 1 d . . . . .
C20 C 0.8596(8) 0.6823(5) 0.3149(3) 0.073(4) Uani 1 1 d . . . . .
H20 H 0.858366 0.714920 0.324079 0.087 Uiso 1 1 calc R U . . .
C21 C 0.8952(8) 0.6747(7) 0.2851(3) 0.094(6) Uani 1 1 d . . . . .
H21 H 0.915590 0.702388 0.274179 0.112 Uiso 1 1 calc R U . . .
C22 C 0.8994(9) 0.6246(7) 0.2721(3) 0.082(5) Uani 1 1 d . . . . .
H22 H 0.925858 0.619092 0.253391 0.098 Uiso 1 1 calc R U . . .
C23 C 0.8654(8) 0.5850(6) 0.2867(3) 0.069(4) Uani 1 1 d . . . . .
H23 H 0.864917 0.552370 0.277314 0.082 Uiso 1 1 calc R U . . .
C24 C 0.8316(7) 0.5931(5) 0.3154(3) 0.054(3) Uani 1 1 d . . . . .
H24 H 0.810690 0.565001 0.325709 0.064 Uiso 1 1 calc R U . . .
C25 C 0.9961(7) 0.4440(5) 0.3526(3) 0.055(3) Uani 1 1 d . . . . .
C26 C 1.0569(8) 0.4244(5) 0.3769(3) 0.069(4) Uani 1 1 d . . . . .
H26 H 1.042756 0.400834 0.392457 0.082 Uiso 1 1 calc R U . . .
C27 C 1.1390(10) 0.4406(7) 0.3774(5) 0.097(6) Uani 1 1 d . . . . .
H27 H 1.179380 0.426636 0.393057 0.116 Uiso 1 1 calc R U . . .
C28 C 1.1609(10) 0.4757(8) 0.3559(5) 0.099(6) Uani 1 1 d . . . . .
H28 H 1.215623 0.486448 0.357043 0.119 Uiso 1 1 calc R U . . .
C29 C 1.1038(9) 0.4948(7) 0.3330(4) 0.091(5) Uani 1 1 d . . . . .
H29 H 1.120070 0.518316 0.317843 0.110 Uiso 1 1 calc R U . . .
C30 C 1.0204(8) 0.4813(5) 0.3308(3) 0.060(4) Uani 1 1 d . . . . .
H30 H 0.981660 0.496709 0.315121 0.072 Uiso 1 1 calc R U . . .
C31 C 0.9041(7) 0.3480(4) 0.3561(3) 0.049(3) Uani 1 1 d . . . . .
C32 C 0.9174(11) 0.3268(6) 0.3873(3) 0.107(6) Uani 1 1 d . . . . .
H32 H 0.910863 0.347830 0.405286 0.129 Uiso 1 1 calc R U . . .
C33 C 0.9397(11) 0.2767(6) 0.3938(4) 0.110(6) Uani 1 1 d . . . . .
H33 H 0.948112 0.264403 0.415456 0.133 Uiso 1 1 calc R U . . .
C34 C 0.9490(9) 0.2459(5) 0.3679(4) 0.084(5) Uani 1 1 d . . . . .
H34 H 0.966270 0.212178 0.371634 0.100 Uiso 1 1 calc R U . . .
C35 C 0.9338(9) 0.2635(5) 0.3370(3) 0.074(4) Uani 1 1 d . . . . .
H35 H 0.937494 0.241112 0.319376 0.089 Uiso 1 1 calc R U . . .
C36 C 0.9126(7) 0.3139(4) 0.3303(3) 0.056(3) Uani 1 1 d . . . . .
H36 H 0.903872 0.325211 0.308376 0.068 Uiso 1 1 calc R U . . .
C37 C 0.8438(7) 0.4308(4) 0.3047(2) 0.045(3) Uani 1 1 d . . . . .
C38 C 0.8927(7) 0.4226(4) 0.2793(3) 0.054(3) Uani 1 1 d . . . . .
H38 H 0.945111 0.408606 0.284628 0.065 Uiso 1 1 calc R U . . .
C39 C 0.8657(7) 0.4348(5) 0.2461(3) 0.052(3) Uani 1 1 d . . . . .
H39 H 0.900877 0.429861 0.229970 0.063 Uiso 1 1 calc R U . . .
C40 C 0.7897(9) 0.4534(5) 0.2375(3) 0.060(4) Uani 1 1 d . . . . .
H40 H 0.772518 0.461921 0.215425 0.072 Uiso 1 1 calc R U . . .
C41 C 0.7364(8) 0.4599(5) 0.2612(3) 0.063(4) Uani 1 1 d . . . . .
H41 H 0.682205 0.470676 0.255199 0.075 Uiso 1 1 calc R U . . .
C42 C 0.7658(7) 0.4501(4) 0.2946(3) 0.055(3) Uani 1 1 d . . . . .
H42 H 0.731106 0.456748 0.310622 0.066 Uiso 1 1 calc R U . . .
C43 C 0.8322(6) 0.5063(5) 0.4580(3) 0.045(3) Uani 1 1 d . . . . .
C44 C 0.8846(8) 0.4706(5) 0.4724(3) 0.077(4) Uani 1 1 d . . . . .
H44 H 0.903011 0.445558 0.458708 0.092 Uiso 1 1 calc R U . . .
C45 C 0.9135(9) 0.4682(6) 0.5061(3) 0.091(5) Uani 1 1 d . . . . .
H45 H 0.951388 0.443390 0.514571 0.109 Uiso 1 1 calc R U . . .
C46 C 0.8835(9) 0.5040(7) 0.5262(3) 0.084(5) Uani 1 1 d . . . . .
H46 H 0.899296 0.502493 0.548977 0.101 Uiso 1 1 calc R U . . .
C47 C 0.8323(8) 0.5409(6) 0.5139(3) 0.079(5) Uani 1 1 d . . . . .
H47 H 0.814916 0.566069 0.527699 0.094 Uiso 1 1 calc R U . . .
C48 C 0.8051(7) 0.5414(5) 0.4798(3) 0.061(4) Uani 1 1 d . . . . .
H48 H 0.767165 0.566269 0.471487 0.073 Uiso 1 1 calc R U . . .
C49 C 0.5030(7) 0.6249(4) 0.3188(2) 0.039(3) Uani 1 1 d . . . . .
C50 C 0.3615(7) 0.6146(5) 0.2804(3) 0.059(4) Uani 1 1 d . . . . .
C51 C 0.2955(17) 0.6000(11) 0.3013(6) 0.064(8) Uiso 0.5 1 d . . P . .
C52 C 0.3417(14) 0.6643(9) 0.2606(6) 0.049(6) Uiso 0.5 1 d . . P . .
C53 C 0.3888(16) 0.5707(11) 0.2530(6) 0.057(7) Uiso 0.5 1 d . . P . .
C54 C 0.3094(14) 0.5727(10) 0.2965(5) 0.043(6) Uiso 0.5 1 d . . P . .
C55 C 0.3154(19) 0.6670(12) 0.2787(8) 0.085(9) Uiso 0.5 1 d . . P . .
C56 C 0.3784(17) 0.5960(12) 0.2470(7) 0.063(8) Uiso 0.5 1 d . . P . .
C57 C 0.6472(7) 0.7027(5) 0.3225(3) 0.045(3) Uani 1 1 d . . . . .
C58 C 0.6649(9) 0.7949(5) 0.2993(3) 0.069(4) Uani 1 1 d . . . . .
C59 C 0.6678(17) 0.8316(10) 0.3277(6) 0.058(7) Uiso 0.5 1 d . . P . .
C60 C 0.5771(15) 0.8000(9) 0.2720(6) 0.047(7) Uiso 0.5 1 d . . P . .
C61 C 0.720(2) 0.7955(12) 0.2733(8) 0.095(10) Uiso 0.5 1 d . . P . .
C62 C 0.621(2) 0.8306(14) 0.3220(8) 0.093(11) Uiso 0.5 1 d . . P . .
C63 C 0.619(2) 0.7981(14) 0.2660(9) 0.096(12) Uiso 0.5 1 d . . P . .
C64 C 0.7610(19) 0.8009(12) 0.2950(8) 0.089(10) Uiso 0.5 1 d . . P . .
C65 C 0.9107(8) 0.6438(5) 0.4371(3) 0.060(4) Uani 1 1 d . . . . .
C66 C 0.9235(16) 0.6947(9) 0.4950(5) 0.150(9) Uani 1 1 d . . . . .
C67 C 0.8104(18) 0.6850(12) 0.4961(7) 0.077(9) Uiso 0.5 1 d . . P . .
C68 C 0.918(3) 0.7502(17) 0.4887(9) 0.129(14) Uiso 0.5 1 d . . P . .
C69 C 0.979(2) 0.6660(13) 0.5196(8) 0.073(10) Uiso 0.5 1 d . . P . .
C70 C 0.851(2) 0.7173(15) 0.4953(8) 0.095(11) Uiso 0.5 1 d . . P . .
C71 C 0.987(2) 0.7392(13) 0.4869(7) 0.088(10) Uiso 0.5 1 d . . P . .
C72 C 0.9451(19) 0.6528(12) 0.5235(7) 0.066(9) Uiso 0.5 1 d . . P . .
C73 C 0.9874(7) 0.5581(5) 0.3942(3) 0.050(3) Uani 1 1 d . . . . .
C74 C 1.1115(9) 0.6180(6) 0.3909(4) 0.083(5) Uani 1 1 d . . . . .
C75 C 1.1392(10) 0.6283(8) 0.4247(4) 0.160(10) Uani 1 1 d . . . . .
H75A H 1.092459 0.631957 0.436725 0.192 Uiso 1 1 calc R U . . .
H75B H 1.173211 0.600434 0.433865 0.192 Uiso 1 1 calc R U . . .
H75C H 1.170922 0.659435 0.426350 0.192 Uiso 1 1 calc R U . . .
C76 C 1.1742(10) 0.6111(7) 0.3681(4) 0.127(7) Uani 1 1 d . . . . .
H76A H 1.147296 0.604430 0.346123 0.153 Uiso 1 1 calc R U . . .
H76B H 1.207021 0.641676 0.367899 0.153 Uiso 1 1 calc R U . . .
H76C H 1.209310 0.582675 0.375414 0.153 Uiso 1 1 calc R U . . .
C77 C 1.0569(11) 0.6629(6) 0.3789(5) 0.136(7) Uani 1 1 d . . . . .
H77A H 1.036114 0.657994 0.355913 0.164 Uiso 1 1 calc R U . . .
H77B H 1.011415 0.665132 0.391773 0.164 Uiso 1 1 calc R U . . .
H77C H 1.088523 0.694044 0.381328 0.164 Uiso 1 1 calc R U . . .
C78 C 0.7069(7) 0.3804(5) 0.3546(3) 0.052(3) Uani 1 1 d . . . . .
C79 C 0.6263(10) 0.3057(5) 0.3201(4) 0.090(5) Uani 1 1 d . . . . .
C80 C 0.540(2) 0.3032(13) 0.3272(8) 0.074(10) Uiso 0.5 1 d . . P . .
C81 C 0.633(2) 0.3210(14) 0.2825(8) 0.085(11) Uiso 0.5 1 d . . P . .
C82 C 0.6836(19) 0.2550(13) 0.3361(8) 0.083(10) Uiso 0.5 1 d . . P . .
C83 C 0.549(2) 0.2984(14) 0.3421(9) 0.085(12) Uiso 0.5 1 d . . P . .
C84 C 0.594(2) 0.3259(13) 0.2833(8) 0.078(11) Uiso 0.5 1 d . . P . .
C85 C 0.6853(16) 0.2607(11) 0.3185(7) 0.057(8) Uiso 0.5 1 d . . P . .
C86 C 0.6897(7) 0.4147(5) 0.4234(3) 0.049(3) Uani 1 1 d . . . . .
C87 C 0.7093(12) 0.3306(6) 0.4583(4) 0.098(6) Uani 1 1 d . . . . .
C88 C 0.810(2) 0.3278(14) 0.4704(9) 0.115(12) Uiso 0.5 1 d . . P . .
C89 C 0.677(3) 0.3395(17) 0.4894(11) 0.145(15) Uiso 0.5 1 d . . P . .
C90 C 0.684(2) 0.2877(13) 0.4362(8) 0.094(10) Uiso 0.5 1 d . . P . .
C91 C 0.754(2) 0.3438(13) 0.4920(8) 0.095(10) Uiso 0.5 1 d . . P . .
C92 C 0.616(2) 0.3217(14) 0.4660(9) 0.123(13) Uiso 0.5 1 d . . P . .
C93 C 0.750(3) 0.2940(16) 0.4389(10) 0.132(14) Uiso 0.5 1 d . . P . .
C94 C 0.5374(7) 0.4820(4) 0.4308(2) 0.047(3) Uani 1 1 d . . . . .
C95 C 0.3993(7) 0.4721(5) 0.4551(3) 0.051(3) Uani 1 1 d . . . . .
C96 C 0.3350(7) 0.4688(6) 0.4263(3) 0.093(5) Uani 1 1 d . . . . .
H96A H 0.281854 0.464563 0.433822 0.111 Uiso 1 1 calc R U . . .
H96B H 0.335102 0.499759 0.413414 0.111 Uiso 1 1 calc R U . . .
H96C H 0.346107 0.440047 0.412735 0.111 Uiso 1 1 calc R U . . .
C97 C 0.3845(8) 0.5176(5) 0.4756(3) 0.083(4) Uani 1 1 d . . . . .
H97A H 0.332339 0.514024 0.484050 0.099 Uiso 1 1 calc R U . . .
H97B H 0.427956 0.520315 0.493784 0.099 Uiso 1 1 calc R U . . .
H97C H 0.383713 0.548004 0.462162 0.099 Uiso 1 1 calc R U . . .
C98 C 0.4048(8) 0.4257(5) 0.4773(3) 0.087(5) Uani 1 1 d . . . . .
H98A H 0.352957 0.420731 0.485832 0.105 Uiso 1 1 calc R U . . .
H98B H 0.417129 0.395987 0.464803 0.105 Uiso 1 1 calc R U . . .
H98C H 0.447799 0.430659 0.495437 0.105 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C49 2.006(11) . ?
Pd1 C57 2.028(12) . ?
Pd1 Si2 2.525(3) . ?
Pd1 Si1 2.538(3) . ?
Pd1 Pd2 2.7467(11) . ?
Pd2 Si1 2.263(3) . ?
Pd2 Si2 2.263(3) . ?
Pd2 Si4 2.275(3) . ?
Pd2 Pd6 2.7515(11) . ?
Pd2 Pd3 2.7590(11) . ?
Pd3 C65 1.990(13) . ?
Pd3 C73 2.043(11) . ?
Pd3 Si4 2.473(3) . ?
Pd3 Si2 2.585(3) . ?
Pd3 Pd4 2.6983(12) . ?
Pd4 C73 2.047(12) . ?
Pd4 Si4 2.352(3) . ?
Pd4 C25 2.357(10) . ?
Pd4 Si3 2.445(3) . ?
Pd4 Pd5 2.8174(12) . ?
Pd5 C78 2.000(12) . ?
Pd5 C86 2.336(11) . ?
Pd5 Si4 2.352(3) . ?
Pd5 Si3 2.414(3) . ?
Pd5 Pd6 2.7635(12) . ?
Pd6 C86 2.003(12) . ?
Pd6 C94 2.032(12) . ?
Pd6 Si1 2.598(3) . ?
Pd6 Si4 2.603(3) . ?
Si1 C1 1.863(11) . ?
Si1 C7 1.877(10) . ?
Si2 C13 1.908(12) . ?
Si2 C19 1.915(11) . ?
Si3 C37 1.883(10) . ?
Si3 C31 1.888(12) . ?
Si3 C25 1.958(12) . ?
Si4 C43 1.898(11) . ?
N1 C49 1.135(12) . ?
N1 C50 1.501(13) . ?
N2 C57 1.121(12) . ?
N2 C58 1.494(14) . ?
N3 C65 1.144(13) . ?
N3 C66 1.545(19) . ?
N4 C73 1.188(13) . ?
N4 C74 1.521(16) . ?
N5 C78 1.146(13) . ?
N5 C79 1.505(15) . ?
N6 C86 1.136(13) . ?
N6 C87 1.472(16) . ?
N7 C94 1.124(12) . ?
N7 C95 1.458(13) . ?
C1 C6 1.358(14) . ?
C1 C2 1.382(14) . ?
C2 C3 1.378(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.355(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.420(17) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.378(13) . ?
C7 C12 1.381(14) . ?
C8 C9 1.389(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.354(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.345(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.365(15) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.397(15) . ?
C13 C14 1.402(14) . ?
C14 C15 1.390(16) . ?
C14 H14 0.9300 . ?
C15 C16 1.35(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.36(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.398(17) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.385(15) . ?
C19 C24 1.392(14) . ?
C20 C21 1.418(17) . ?
C20 H20 0.9300 . ?
C21 C22 1.411(19) . ?
C21 H21 0.9300 . ?
C22 C23 1.344(18) . ?
C22 H22 0.9300 . ?
C23 C24 1.366(15) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.404(15) . ?
C25 C30 1.405(16) . ?
C26 C27 1.401(19) . ?
C26 H26 0.9300 . ?
C27 C28 1.34(2) . ?
C27 H27 0.9300 . ?
C28 C29 1.33(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.396(16) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.375(16) . ?
C31 C36 1.392(14) . ?
C32 C33 1.371(18) . ?
C32 H32 0.9300 . ?
C33 C34 1.346(18) . ?
C33 H33 0.9300 . ?
C34 C35 1.329(16) . ?
C34 H34 0.9300 . ?
C35 C36 1.377(15) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.381(14) . ?
C37 C38 1.393(14) . ?
C38 C39 1.402(14) . ?
C38 H38 0.9300 . ?
C39 C40 1.335(15) . ?
C39 H39 0.9300 . ?
C40 C41 1.387(15) . ?
C40 H40 0.9300 . ?
C41 C42 1.401(14) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.346(15) . ?
C43 C48 1.383(15) . ?
C44 C45 1.391(15) . ?
C44 H44 0.9300 . ?
C45 C46 1.369(18) . ?
C45 H45 0.9300 . ?
C46 C47 1.330(18) . ?
C46 H46 0.9300 . ?
C47 C48 1.398(15) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C50 C56 1.50(3) . ?
C50 C51 1.50(3) . ?
C50 C52 1.54(3) . ?
C50 C55 1.56(3) . ?
C50 C54 1.57(3) . ?
C50 C53 1.69(3) . ?
C51 C54 0.78(3) . ?
C51 C55 2.02(4) . ?
C52 C55 0.90(3) . ?
C52 C56 1.98(4) . ?
C53 C56 0.72(4) . ?
C58 C63 1.46(3) . ?
C58 C61 1.47(3) . ?
C58 C59 1.49(3) . ?
C58 C62 1.54(3) . ?
C58 C64 1.60(3) . ?
C58 C60 1.70(3) . ?
C59 C62 0.77(4) . ?
C60 C63 0.76(4) . ?
C61 C64 1.04(4) . ?
C61 C63 1.64(4) . ?
C66 C70 1.32(4) . ?
C66 C69 1.47(4) . ?
C66 C68 1.47(4) . ?
C66 C72 1.60(4) . ?
C66 C71 1.62(4) . ?
C66 C67 1.87(4) . ?
C67 C70 1.07(4) . ?
C68 C71 1.18(5) . ?
C68 C70 1.44(5) . ?
C69 C72 0.68(4) . ?
C74 C75 1.412(18) . ?
C74 C76 1.473(17) . ?
C74 C77 1.514(19) . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C79 C80 1.48(3) . ?
C79 C85 1.52(3) . ?
C79 C81 1.59(4) . ?
C79 C84 1.61(3) . ?
C79 C83 1.64(4) . ?
C79 C82 1.70(3) . ?
C80 C83 0.62(4) . ?
C81 C84 0.65(5) . ?
C82 C85 0.73(3) . ?
C87 C89 1.44(4) . ?
C87 C93 1.45(4) . ?
C87 C90 1.46(3) . ?
C87 C91 1.51(3) . ?
C87 C92 1.60(4) . ?
C87 C88 1.65(4) . ?
C88 C91 1.40(4) . ?
C88 C93 1.74(5) . ?
C89 C91 1.24(5) . ?
C89 C92 1.37(5) . ?
C90 C93 1.09(4) . ?
C90 C92 1.95(5) . ?
C95 C96 1.473(14) . ?
C95 C97 1.485(16) . ?
C95 C98 1.505(16) . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?

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
C49 Pd1 C57 100.2(4) . . ?
C49 Pd1 Si2 174.2(3) . . ?
C57 Pd1 Si2 79.1(3) . . ?
C49 Pd1 Si1 81.0(3) . . ?
C57 Pd1 Si1 171.2(3) . . ?
Si2 Pd1 Si1 100.63(10) . . ?
C49 Pd1 Pd2 129.9(3) . . ?
C57 Pd1 Pd2 129.8(3) . . ?
Si2 Pd1 Pd2 50.63(7) . . ?
Si1 Pd1 Pd2 50.53(7) . . ?
Si1 Pd2 Si2 118.81(11) . . ?
Si1 Pd2 Si4 122.70(11) . . ?
Si2 Pd2 Si4 118.27(11) . . ?
Si1 Pd2 Pd1 59.95(7) . . ?
Si2 Pd2 Pd1 59.61(8) . . ?
Si4 Pd2 Pd1 166.63(8) . . ?
Si1 Pd2 Pd6 61.49(8) . . ?
Si2 Pd2 Pd6 179.17(8) . . ?
Si4 Pd2 Pd6 61.51(8) . . ?
Pd1 Pd2 Pd6 120.82(4) . . ?
Si1 Pd2 Pd3 176.93(8) . . ?
Si2 Pd2 Pd3 61.00(8) . . ?
Si4 Pd2 Pd3 57.88(8) . . ?
Pd1 Pd2 Pd3 120.30(4) . . ?
Pd6 Pd2 Pd3 118.65(4) . . ?
C65 Pd3 C73 104.1(5) . . ?
C65 Pd3 Si4 125.5(4) . . ?
C73 Pd3 Si4 99.5(3) . . ?
C65 Pd3 Si2 96.6(4) . . ?
C73 Pd3 Si2 134.4(3) . . ?
Si4 Pd3 Si2 100.74(10) . . ?
C65 Pd3 Pd4 142.6(4) . . ?
C73 Pd3 Pd4 48.8(3) . . ?
Si4 Pd3 Pd4 53.89(7) . . ?
Si2 Pd3 Pd4 120.77(7) . . ?
C65 Pd3 Pd2 117.6(4) . . ?
C73 Pd3 Pd2 137.8(3) . . ?
Si4 Pd3 Pd2 51.20(7) . . ?
Si2 Pd3 Pd2 49.99(7) . . ?
Pd4 Pd3 Pd2 90.82(4) . . ?
C73 Pd4 Si4 103.4(3) . . ?
C73 Pd4 C25 102.1(4) . . ?
Si4 Pd4 C25 154.4(3) . . ?
C73 Pd4 Si3 148.1(3) . . ?
Si4 Pd4 Si3 107.21(11) . . ?
C25 Pd4 Si3 48.1(3) . . ?
C73 Pd4 Pd3 48.7(3) . . ?
Si4 Pd4 Pd3 58.15(8) . . ?
C25 Pd4 Pd3 146.2(3) . . ?
Si3 Pd4 Pd3 150.81(8) . . ?
C73 Pd4 Pd5 155.9(3) . . ?
Si4 Pd4 Pd5 53.22(8) . . ?
C25 Pd4 Pd5 101.5(3) . . ?
Si3 Pd4 Pd5 54.06(8) . . ?
Pd3 Pd4 Pd5 107.51(4) . . ?
C78 Pd5 C86 86.5(4) . . ?
C78 Pd5 Si4 161.7(4) . . ?
C86 Pd5 Si4 84.8(3) . . ?
C78 Pd5 Si3 87.0(3) . . ?
C86 Pd5 Si3 150.7(3) . . ?
Si4 Pd5 Si3 108.19(11) . . ?
C78 Pd5 Pd6 102.3(3) . . ?
C86 Pd5 Pd6 45.3(3) . . ?
Si4 Pd5 Pd6 60.53(8) . . ?
Si3 Pd5 Pd6 163.23(9) . . ?
C78 Pd5 Pd4 141.5(3) . . ?
C86 Pd5 Pd4 129.5(3) . . ?
Si4 Pd5 Pd4 53.19(7) . . ?
Si3 Pd5 Pd4 55.07(8) . . ?
Pd6 Pd5 Pd4 112.99(4) . . ?
C86 Pd6 C94 99.7(5) . . ?
C86 Pd6 Si1 161.9(3) . . ?
C94 Pd6 Si1 83.9(3) . . ?
C86 Pd6 Si4 85.6(3) . . ?
C94 Pd6 Si4 150.9(3) . . ?
Si1 Pd6 Si4 99.96(9) . . ?
C86 Pd6 Pd2 134.3(3) . . ?
C94 Pd6 Pd2 124.2(3) . . ?
Si1 Pd6 Pd2 49.96(7) . . ?
Si4 Pd6 Pd2 50.20(7) . . ?
C86 Pd6 Pd5 56.0(3) . . ?
C94 Pd6 Pd5 151.1(3) . . ?
Si1 Pd6 Pd5 114.50(7) . . ?
Si4 Pd6 Pd5 51.89(7) . . ?
Pd2 Pd6 Pd5 83.71(3) . . ?
C1 Si1 C7 111.4(5) . . ?
C1 Si1 Pd2 118.1(3) . . ?
C7 Si1 Pd2 130.2(4) . . ?
C1 Si1 Pd1 98.0(3) . . ?
C7 Si1 Pd1 109.6(3) . . ?
Pd2 Si1 Pd1 69.53(8) . . ?
C1 Si1 Pd6 108.9(3) . . ?
C7 Si1 Pd6 91.1(3) . . ?
Pd2 Si1 Pd6 68.55(8) . . ?
Pd1 Si1 Pd6 137.18(12) . . ?
C13 Si2 C19 110.3(5) . . ?
C13 Si2 Pd2 129.7(4) . . ?
C19 Si2 Pd2 119.5(4) . . ?
C13 Si2 Pd1 105.5(4) . . ?
C19 Si2 Pd1 103.9(3) . . ?
Pd2 Si2 Pd1 69.76(8) . . ?
C13 Si2 Pd3 105.2(3) . . ?
C19 Si2 Pd3 91.0(3) . . ?
Pd2 Si2 Pd3 69.01(8) . . ?
Pd1 Si2 Pd3 138.31(13) . . ?
C37 Si3 C31 109.4(5) . . ?
C37 Si3 C25 101.6(5) . . ?
C31 Si3 C25 99.3(5) . . ?
C37 Si3 Pd5 107.2(4) . . ?
C31 Si3 Pd5 104.7(4) . . ?
C25 Si3 Pd5 133.3(3) . . ?
C37 Si3 Pd4 115.9(4) . . ?
C31 Si3 Pd4 133.7(4) . . ?
C25 Si3 Pd4 63.6(3) . . ?
Pd5 Si3 Pd4 70.87(9) . . ?
C43 Si4 Pd2 125.8(4) . . ?
C43 Si4 Pd4 108.0(3) . . ?
Pd2 Si4 Pd4 114.27(12) . . ?
C43 Si4 Pd5 118.3(4) . . ?
Pd2 Si4 Pd5 105.34(11) . . ?
Pd4 Si4 Pd5 73.59(9) . . ?
C43 Si4 Pd3 96.5(4) . . ?
Pd2 Si4 Pd3 70.92(9) . . ?
Pd4 Si4 Pd3 67.96(8) . . ?
Pd5 Si4 Pd3 134.45(12) . . ?
C43 Si4 Pd6 99.3(3) . . ?
Pd2 Si4 Pd6 68.29(8) . . ?
Pd4 Si4 Pd6 139.81(13) . . ?
Pd5 Si4 Pd6 67.57(8) . . ?
Pd3 Si4 Pd6 138.06(12) . . ?
C49 N1 C50 173.6(12) . . ?
C57 N2 C58 173.1(12) . . ?
C65 N3 C66 171.8(16) . . ?
C73 N4 C74 143.1(12) . . ?
C78 N5 C79 176.6(14) . . ?
C86 N6 C87 178.6(14) . . ?
C94 N7 C95 174.9(11) . . ?
C6 C1 C2 113.5(10) . . ?
C6 C1 Si1 128.4(8) . . ?
C2 C1 Si1 117.7(8) . . ?
C3 C2 C1 125.2(12) . . ?
C3 C2 H2 117.4 . . ?
C1 C2 H2 117.4 . . ?
C4 C3 C2 118.5(14) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C3 C4 C5 120.7(14) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 118.2(14) . . ?
C4 C5 H5 120.9 . . ?
C6 C5 H5 120.9 . . ?
C1 C6 C5 123.9(12) . . ?
C1 C6 H6 118.0 . . ?
C5 C6 H6 118.0 . . ?
C8 C7 C12 115.8(10) . . ?
C8 C7 Si1 125.7(8) . . ?
C12 C7 Si1 118.2(8) . . ?
C7 C8 C9 122.6(11) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 H8 118.7 . . ?
C10 C9 C8 119.7(12) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C11 C10 C9 118.2(12) . . ?
C11 C10 H10 120.9 . . ?
C9 C10 H10 120.9 . . ?
C10 C11 C12 123.0(12) . . ?
C10 C11 H11 118.5 . . ?
C12 C11 H11 118.5 . . ?
C11 C12 C7 120.6(11) . . ?
C11 C12 H12 119.7 . . ?
C7 C12 H12 119.7 . . ?
C18 C13 C14 116.9(12) . . ?
C18 C13 Si2 124.9(10) . . ?
C14 C13 Si2 118.2(9) . . ?
C15 C14 C13 120.5(13) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C14 118.6(15) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C15 C16 C17 125.1(16) . . ?
C15 C16 H16 117.5 . . ?
C17 C16 H16 117.5 . . ?
C16 C17 C18 115.3(15) . . ?
C16 C17 H17 122.4 . . ?
C18 C17 H17 122.4 . . ?
C13 C18 C17 123.3(14) . . ?
C13 C18 H18 118.4 . . ?
C17 C18 H18 118.4 . . ?
C20 C19 C24 117.1(11) . . ?
C20 C19 Si2 126.0(10) . . ?
C24 C19 Si2 116.6(9) . . ?
C19 C20 C21 119.8(14) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 119.4(14) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C23 C22 C21 120.4(14) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.1(14) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C23 C24 C19 124.1(12) . . ?
C23 C24 H24 118.0 . . ?
C19 C24 H24 118.0 . . ?
C26 C25 C30 117.7(12) . . ?
C26 C25 Si3 120.0(11) . . ?
C30 C25 Si3 122.3(9) . . ?
C26 C25 Pd4 102.8(8) . . ?
C30 C25 Pd4 100.1(8) . . ?
Si3 C25 Pd4 68.3(3) . . ?
C27 C26 C25 119.4(14) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C28 C27 C26 121.8(16) . . ?
C28 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
C29 C28 C27 119.4(18) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 122.9(16) . . ?
C28 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
C29 C30 C25 118.9(13) . . ?
C29 C30 H30 120.6 . . ?
C25 C30 H30 120.6 . . ?
C32 C31 C36 114.6(11) . . ?
C32 C31 Si3 121.6(10) . . ?
C36 C31 Si3 123.7(9) . . ?
C33 C32 C31 124.6(13) . . ?
C33 C32 H32 117.7 . . ?
C31 C32 H32 117.7 . . ?
C34 C33 C32 118.1(14) . . ?
C34 C33 H33 121.0 . . ?
C32 C33 H33 121.0 . . ?
C35 C34 C33 120.3(14) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 121.9(12) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C31 120.4(11) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
C42 C37 C38 115.2(10) . . ?
C42 C37 Si3 122.2(8) . . ?
C38 C37 Si3 122.6(8) . . ?
C37 C38 C39 122.4(10) . . ?
C37 C38 H38 118.8 . . ?
C39 C38 H38 118.8 . . ?
C40 C39 C38 120.3(11) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.2(11) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C40 C41 C42 118.7(11) . . ?
C40 C41 H41 120.7 . . ?
C42 C41 H41 120.7 . . ?
C37 C42 C41 123.1(11) . . ?
C37 C42 H42 118.5 . . ?
C41 C42 H42 118.5 . . ?
C44 C43 C48 114.6(11) . . ?
C44 C43 Si4 124.8(10) . . ?
C48 C43 Si4 120.6(9) . . ?
C43 C44 C45 125.2(13) . . ?
C43 C44 H44 117.4 . . ?
C45 C44 H44 117.4 . . ?
C46 C45 C44 116.9(13) . . ?
C46 C45 H45 121.6 . . ?
C44 C45 H45 121.6 . . ?
C47 C46 C45 121.6(13) . . ?
C47 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C46 C47 C48 119.0(13) . . ?
C46 C47 H47 120.5 . . ?
C48 C47 H47 120.5 . . ?
C43 C48 C47 122.6(12) . . ?
C43 C48 H48 118.7 . . ?
C47 C48 H48 118.7 . . ?
N1 C49 Pd1 172.8(10) . . ?
C56 C50 C51 131.0(18) . . ?
C56 C50 N1 111.0(14) . . ?
C51 C50 N1 108.2(13) . . ?
C56 C50 C52 81.5(15) . . ?
C51 C50 C52 112.9(16) . . ?
N1 C50 C52 107.9(12) . . ?
C56 C50 C55 112.8(17) . . ?
C51 C50 C55 82.5(17) . . ?
N1 C50 C55 106.0(14) . . ?
C52 C50 C55 33.7(12) . . ?
C56 C50 C54 108.7(17) . . ?
C51 C50 C54 29.2(12) . . ?
N1 C50 C54 108.1(10) . . ?
C52 C50 C54 135.4(15) . . ?
C55 C50 C54 110.1(17) . . ?
C56 C50 C53 25.1(13) . . ?
C51 C50 C53 117.8(17) . . ?
N1 C50 C53 102.7(12) . . ?
C52 C50 C53 106.5(14) . . ?
C55 C50 C53 136.9(17) . . ?
C54 C50 C53 90.2(15) . . ?
C54 C51 C50 81(3) . . ?
C54 C51 C55 128(4) . . ?
C50 C51 C55 49.9(13) . . ?
C55 C52 C50 74(3) . . ?
C55 C52 C56 119(3) . . ?
C50 C52 C56 48.4(11) . . ?
C56 C53 C50 62(3) . . ?
C51 C54 C50 70(3) . . ?
C52 C55 C50 72(3) . . ?
C52 C55 C51 115(3) . . ?
C50 C55 C51 47.5(12) . . ?
C53 C56 C50 93(4) . . ?
C53 C56 C52 143(4) . . ?
C50 C56 C52 50.1(12) . . ?
N2 C57 Pd1 174.9(11) . . ?
C63 C58 C61 67.9(18) . . ?
C63 C58 C59 130(2) . . ?
C61 C58 C59 125.5(19) . . ?
C63 C58 N2 108.1(17) . . ?
C61 C58 N2 109.0(16) . . ?
C59 C58 N2 110.0(13) . . ?
C63 C58 C62 107(2) . . ?
C61 C58 C62 142(2) . . ?
C59 C58 C62 29.2(14) . . ?
N2 C58 C62 107.9(16) . . ?
C63 C58 C64 106.6(19) . . ?
C61 C58 C64 39.4(14) . . ?
C59 C58 C64 94.7(18) . . ?
N2 C58 C64 104.0(15) . . ?
C62 C58 C64 122(2) . . ?
C63 C58 C60 26.4(15) . . ?
C61 C58 C60 94.3(17) . . ?
C59 C58 C60 113.3(17) . . ?
N2 C58 C60 101.4(12) . . ?
C62 C58 C60 85.8(17) . . ?
C64 C58 C60 132.5(17) . . ?
C62 C59 C58 79(4) . . ?
C63 C60 C58 59(3) . . ?
C64 C61 C58 77(3) . . ?
C64 C61 C63 132(4) . . ?
C58 C61 C63 55.8(17) . . ?
C59 C62 C58 72(4) . . ?
C60 C63 C58 95(4) . . ?
C60 C63 C61 151(5) . . ?
C58 C63 C61 56.3(17) . . ?
C61 C64 C58 63(3) . . ?
N3 C65 Pd3 164.0(12) . . ?
C70 C66 C69 134(3) . . ?
C70 C66 C68 62(2) . . ?
C69 C66 C68 130(3) . . ?
C70 C66 N3 107(2) . . ?
C69 C66 N3 107.7(19) . . ?
C68 C66 N3 109(2) . . ?
C70 C66 C72 114(3) . . ?
C69 C66 C72 25.3(16) . . ?
C68 C66 C72 143(2) . . ?
N3 C66 C72 107.1(17) . . ?
C70 C66 C71 106(3) . . ?
C69 C66 C71 98(2) . . ?
C68 C66 C71 44.5(19) . . ?
N3 C66 C71 96.1(17) . . ?
C72 C66 C71 123(2) . . ?
C70 C66 C67 34(2) . . ?
C69 C66 C67 116(2) . . ?
C68 C66 C67 96(3) . . ?
N3 C66 C67 92.4(15) . . ?
C72 C66 C67 91(2) . . ?
C71 C66 C67 140(2) . . ?
C70 C67 C66 44(2) . . ?
C71 C68 C70 129(5) . . ?
C71 C68 C66 74(3) . . ?
C70 C68 C66 54(2) . . ?
C72 C69 C66 88(5) . . ?
C67 C70 C66 102(4) . . ?
C67 C70 C68 163(5) . . ?
C66 C70 C68 64(2) . . ?
C68 C71 C66 61(3) . . ?
C69 C72 C66 67(4) . . ?
N4 C73 Pd3 138.1(10) . . ?
N4 C73 Pd4 136.8(10) . . ?
Pd3 C73 Pd4 82.6(4) . . ?
C75 C74 C76 118.0(14) . . ?
C75 C74 C77 105.8(16) . . ?
C76 C74 C77 108.5(15) . . ?
C75 C74 N4 108.6(13) . . ?
C76 C74 N4 109.9(13) . . ?
C77 C74 N4 105.2(12) . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C74 C76 H76A 109.5 . . ?
C74 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C74 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C74 C77 H77A 109.5 . . ?
C74 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C74 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N5 C78 Pd5 178.6(12) . . ?
C80 C79 N5 109.4(17) . . ?
C80 C79 C85 126.8(19) . . ?
N5 C79 C85 109.8(15) . . ?
C80 C79 C81 112(2) . . ?
N5 C79 C81 103.3(16) . . ?
C85 C79 C81 92.0(19) . . ?
C80 C79 C84 89(2) . . ?
N5 C79 C84 108.7(16) . . ?
C85 C79 C84 110.4(19) . . ?
C81 C79 C84 23.5(16) . . ?
C80 C79 C83 22.1(17) . . ?
N5 C79 C83 98.4(15) . . ?
C85 C79 C83 117.6(19) . . ?
C81 C79 C83 134(2) . . ?
C84 C79 C83 111(2) . . ?
C80 C79 C82 113(2) . . ?
N5 C79 C82 100.3(14) . . ?
C85 C79 C82 25.5(13) . . ?
C81 C79 C82 117(2) . . ?
C84 C79 C82 135(2) . . ?
C83 C79 C82 97.1(19) . . ?
C83 C80 C79 93(6) . . ?
C84 C81 C79 79(5) . . ?
C85 C82 C79 64(4) . . ?
C80 C83 C79 65(5) . . ?
C81 C84 C79 77(5) . . ?
C82 C85 C79 91(4) . . ?
N6 C86 Pd6 158.0(11) . . ?
N6 C86 Pd5 123.2(10) . . ?
Pd6 C86 Pd5 78.7(4) . . ?
C89 C87 C93 145(3) . . ?
C89 C87 C90 124(3) . . ?
C93 C87 C90 43.9(18) . . ?
C89 C87 N6 108(2) . . ?
C93 C87 N6 106.5(19) . . ?
C90 C87 N6 107.1(16) . . ?
C89 C87 C91 49.8(19) . . ?
C93 C87 C91 116(2) . . ?
C90 C87 C91 143(2) . . ?
N6 C87 C91 108.7(17) . . ?
C89 C87 C92 53(2) . . ?
C93 C87 C92 121(3) . . ?
C90 C87 C92 79(2) . . ?
N6 C87 C92 100.1(18) . . ?
C91 C87 C92 103(2) . . ?
C89 C87 C88 101(2) . . ?
C93 C87 C88 68(2) . . ?
C90 C87 C88 110(2) . . ?
N6 C87 C88 104.4(17) . . ?
C91 C87 C88 52.3(17) . . ?
C92 C87 C88 149(2) . . ?
C91 C88 C87 58.6(19) . . ?
C91 C88 C93 105(3) . . ?
C87 C88 C93 50.5(18) . . ?
C91 C89 C92 136(5) . . ?
C91 C89 C87 68(3) . . ?
C92 C89 C87 69(3) . . ?
C93 C90 C87 68(3) . . ?
C93 C90 C92 120(4) . . ?
C87 C90 C92 53.8(17) . . ?
C89 C91 C88 130(4) . . ?
C89 C91 C87 62(3) . . ?
C88 C91 C87 69(2) . . ?
C89 C92 C87 58(2) . . ?
C89 C92 C90 100(3) . . ?
C87 C92 C90 47.4(15) . . ?
C90 C93 C87 69(3) . . ?
C90 C93 C88 127(4) . . ?
C87 C93 C88 61(2) . . ?
N7 C94 Pd6 176.9(11) . . ?
N7 C95 C96 107.7(9) . . ?
N7 C95 C97 108.4(10) . . ?
C96 C95 C97 110.0(12) . . ?
N7 C95 C98 108.1(10) . . ?
C96 C95 C98 114.4(11) . . ?
C97 C95 C98 108.1(10) . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 C97 H97A 109.5 . . ?
C95 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C95 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C95 C98 H98A 109.5 . . ?
C95 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C95 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 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
C7 Si1 C1 C6 -29.2(12) . . . . ?
Pd2 Si1 C1 C6 156.6(9) . . . . ?
Pd1 Si1 C1 C6 85.5(10) . . . . ?
Pd6 Si1 C1 C6 -128.2(10) . . . . ?
C7 Si1 C1 C2 158.6(8) . . . . ?
Pd2 Si1 C1 C2 -15.6(10) . . . . ?
Pd1 Si1 C1 C2 -86.6(8) . . . . ?
Pd6 Si1 C1 C2 59.6(9) . . . . ?
C6 C1 C2 C3 -2.3(17) . . . . ?
Si1 C1 C2 C3 171.0(10) . . . . ?
C1 C2 C3 C4 3(2) . . . . ?
C2 C3 C4 C5 -2(2) . . . . ?
C3 C4 C5 C6 1(2) . . . . ?
C2 C1 C6 C5 1.3(18) . . . . ?
Si1 C1 C6 C5 -171.1(10) . . . . ?
C4 C5 C6 C1 -1(2) . . . . ?
C1 Si1 C7 C8 -29.6(11) . . . . ?
Pd2 Si1 C7 C8 143.7(8) . . . . ?
Pd1 Si1 C7 C8 -137.0(9) . . . . ?
Pd6 Si1 C7 C8 81.2(10) . . . . ?
C1 Si1 C7 C12 156.9(8) . . . . ?
Pd2 Si1 C7 C12 -29.8(10) . . . . ?
Pd1 Si1 C7 C12 49.5(9) . . . . ?
Pd6 Si1 C7 C12 -92.2(8) . . . . ?
C12 C7 C8 C9 1.4(17) . . . . ?
Si1 C7 C8 C9 -172.1(9) . . . . ?
C7 C8 C9 C10 -1.0(19) . . . . ?
C8 C9 C10 C11 1.1(19) . . . . ?
C9 C10 C11 C12 -2(2) . . . . ?
C10 C11 C12 C7 2.3(19) . . . . ?
C8 C7 C12 C11 -2.0(16) . . . . ?
Si1 C7 C12 C11 172.0(9) . . . . ?
C18 C13 C14 C15 -0.2(17) . . . . ?
Si2 C13 C14 C15 -179.6(9) . . . . ?
C13 C14 C15 C16 2(2) . . . . ?
C14 C15 C16 C17 -6(3) . . . . ?
C15 C16 C17 C18 6(3) . . . . ?
C14 C13 C18 C17 1.3(19) . . . . ?
Si2 C13 C18 C17 -179.3(11) . . . . ?
C16 C17 C18 C13 -4(2) . . . . ?
C24 C19 C20 C21 1.0(17) . . . . ?
Si2 C19 C20 C21 -173.2(9) . . . . ?
C19 C20 C21 C22 -2(2) . . . . ?
C20 C21 C22 C23 4(2) . . . . ?
C21 C22 C23 C24 -4(2) . . . . ?
C22 C23 C24 C19 3(2) . . . . ?
C20 C19 C24 C23 -1.2(17) . . . . ?
Si2 C19 C24 C23 173.5(9) . . . . ?
C30 C25 C26 C27 -3.0(18) . . . . ?
Si3 C25 C26 C27 176.1(10) . . . . ?
Pd4 C25 C26 C27 -111.8(12) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
C26 C27 C28 C29 -1(3) . . . . ?
C27 C28 C29 C30 2(3) . . . . ?
C28 C29 C30 C25 -3(2) . . . . ?
C26 C25 C30 C29 3.5(17) . . . . ?
Si3 C25 C30 C29 -175.6(9) . . . . ?
Pd4 C25 C30 C29 113.8(11) . . . . ?
C37 Si3 C31 C32 -167.2(12) . . . . ?
C25 Si3 C31 C32 86.9(13) . . . . ?
Pd5 Si3 C31 C32 -52.6(13) . . . . ?
Pd4 Si3 C31 C32 24.7(15) . . . . ?
C37 Si3 C31 C36 16.5(12) . . . . ?
C25 Si3 C31 C36 -89.3(11) . . . . ?
Pd5 Si3 C31 C36 131.1(10) . . . . ?
Pd4 Si3 C31 C36 -151.5(8) . . . . ?
C36 C31 C32 C33 2(2) . . . . ?
Si3 C31 C32 C33 -174.8(15) . . . . ?
C31 C32 C33 C34 0(3) . . . . ?
C32 C33 C34 C35 -3(3) . . . . ?
C33 C34 C35 C36 4(3) . . . . ?
C34 C35 C36 C31 -2(2) . . . . ?
C32 C31 C36 C35 -0.7(19) . . . . ?
Si3 C31 C36 C35 175.8(10) . . . . ?
C31 Si3 C37 C42 117.5(10) . . . . ?
C25 Si3 C37 C42 -138.3(10) . . . . ?
Pd5 Si3 C37 C42 4.5(11) . . . . ?
Pd4 Si3 C37 C42 -72.1(11) . . . . ?
C31 Si3 C37 C38 -64.5(11) . . . . ?
C25 Si3 C37 C38 39.8(11) . . . . ?
Pd5 Si3 C37 C38 -177.4(9) . . . . ?
Pd4 Si3 C37 C38 105.9(10) . . . . ?
C42 C37 C38 C39 2.2(17) . . . . ?
Si3 C37 C38 C39 -176.0(9) . . . . ?
C37 C38 C39 C40 -2.3(19) . . . . ?
C38 C39 C40 C41 -1.2(19) . . . . ?
C39 C40 C41 C42 4.3(19) . . . . ?
C38 C37 C42 C41 1.1(18) . . . . ?
Si3 C37 C42 C41 179.3(9) . . . . ?
C40 C41 C42 C37 -4.4(19) . . . . ?
Pd2 Si4 C43 C44 -179.5(10) . . . . ?
Pd4 Si4 C43 C44 -39.5(12) . . . . ?
Pd5 Si4 C43 C44 41.2(12) . . . . ?
Pd3 Si4 C43 C44 -108.4(11) . . . . ?
Pd6 Si4 C43 C44 110.6(11) . . . . ?
Pd2 Si4 C43 C48 -1.8(11) . . . . ?
Pd4 Si4 C43 C48 138.3(9) . . . . ?
Pd5 Si4 C43 C48 -141.1(9) . . . . ?
Pd3 Si4 C43 C48 69.4(10) . . . . ?
Pd6 Si4 C43 C48 -71.6(10) . . . . ?
C48 C43 C44 C45 -2(2) . . . . ?
Si4 C43 C44 C45 175.8(11) . . . . ?
C43 C44 C45 C46 2(2) . . . . ?
C44 C45 C46 C47 -3(2) . . . . ?
C45 C46 C47 C48 4(2) . . . . ?
C44 C43 C48 C47 2.3(19) . . . . ?
Si4 C43 C48 C47 -175.7(10) . . . . ?
C46 C47 C48 C43 -3(2) . . . . ?
C56 C50 C51 C54 47(4) . . . . ?
N1 C50 C51 C54 -95(3) . . . . ?
C52 C50 C51 C54 146(3) . . . . ?
C55 C50 C51 C54 161(3) . . . . ?
C53 C50 C51 C54 21(3) . . . . ?
C56 C50 C51 C55 -114(2) . . . . ?
N1 C50 C51 C55 104.5(16) . . . . ?
C52 C50 C51 C55 -14.9(16) . . . . ?
C54 C50 C51 C55 -161(3) . . . . ?
C53 C50 C51 C55 -139.8(18) . . . . ?
C56 C50 C52 C55 158(3) . . . . ?
C51 C50 C52 C55 27(3) . . . . ?
N1 C50 C52 C55 -92(3) . . . . ?
C54 C50 C52 C55 50(3) . . . . ?
C53 C50 C52 C55 158(3) . . . . ?
C51 C50 C52 C56 -131.0(19) . . . . ?
N1 C50 C52 C56 109.4(15) . . . . ?
C55 C50 C52 C56 -158(3) . . . . ?
C54 C50 C52 C56 -108(2) . . . . ?
C53 C50 C52 C56 -0.3(18) . . . . ?
C51 C50 C53 C56 129(4) . . . . ?
N1 C50 C53 C56 -113(4) . . . . ?
C52 C50 C53 C56 1(4) . . . . ?
C55 C50 C53 C56 18(5) . . . . ?
C54 C50 C53 C56 139(4) . . . . ?
C55 C51 C54 C50 19(3) . . . . ?
C56 C50 C54 C51 -144(3) . . . . ?
N1 C50 C54 C51 95(3) . . . . ?
C52 C50 C54 C51 -47(4) . . . . ?
C55 C50 C54 C51 -20(3) . . . . ?
C53 C50 C54 C51 -161(3) . . . . ?
C56 C52 C55 C50 18(2) . . . . ?
C50 C52 C55 C51 -20(2) . . . . ?
C56 C52 C55 C51 -2(4) . . . . ?
C56 C50 C55 C52 -23(3) . . . . ?
C51 C50 C55 C52 -155(3) . . . . ?
N1 C50 C55 C52 98(3) . . . . ?
C54 C50 C55 C52 -145(3) . . . . ?
C53 C50 C55 C52 -31(4) . . . . ?
C56 C50 C55 C51 131.5(19) . . . . ?
N1 C50 C55 C51 -106.8(14) . . . . ?
C52 C50 C55 C51 155(3) . . . . ?
C54 C50 C55 C51 9.8(16) . . . . ?
C53 C50 C55 C51 123(2) . . . . ?
C50 C53 C56 C52 -1(5) . . . . ?
C51 C50 C56 C53 -66(5) . . . . ?
N1 C50 C56 C53 75(4) . . . . ?
C52 C50 C56 C53 -179(4) . . . . ?
C55 C50 C56 C53 -167(4) . . . . ?
C54 C50 C56 C53 -44(4) . . . . ?
C51 C50 C56 C52 113(2) . . . . ?
N1 C50 C56 C52 -106.0(14) . . . . ?
C55 C50 C56 C52 12.8(18) . . . . ?
C54 C50 C56 C52 135.2(15) . . . . ?
C53 C50 C56 C52 179(4) . . . . ?
C63 C58 C59 C62 46(5) . . . . ?
C61 C58 C59 C62 135(4) . . . . ?
N2 C58 C59 C62 -91(4) . . . . ?
C64 C58 C59 C62 162(4) . . . . ?
C60 C58 C59 C62 21(4) . . . . ?
C61 C58 C60 C63 3(4) . . . . ?
C59 C58 C60 C63 134(4) . . . . ?
N2 C58 C60 C63 -108(4) . . . . ?
C62 C58 C60 C63 145(4) . . . . ?
C64 C58 C60 C63 13(5) . . . . ?
C63 C58 C61 C64 169(3) . . . . ?
C59 C58 C61 C64 45(4) . . . . ?
N2 C58 C61 C64 -89(3) . . . . ?
C62 C58 C61 C64 79(4) . . . . ?
C60 C58 C61 C64 167(3) . . . . ?
C59 C58 C61 C63 -124(3) . . . . ?
N2 C58 C61 C63 102.4(19) . . . . ?
C62 C58 C61 C63 -90(4) . . . . ?
C64 C58 C61 C63 -169(3) . . . . ?
C60 C58 C61 C63 -1(2) . . . . ?
C63 C58 C62 C59 -145(4) . . . . ?
C61 C58 C62 C59 -69(5) . . . . ?
N2 C58 C62 C59 99(4) . . . . ?
C64 C58 C62 C59 -21(5) . . . . ?
C60 C58 C62 C59 -160(4) . . . . ?
C58 C60 C63 C61 -5(8) . . . . ?
C61 C58 C63 C60 -177(5) . . . . ?
C59 C58 C63 C60 -59(5) . . . . ?
N2 C58 C63 C60 79(4) . . . . ?
C62 C58 C63 C60 -37(5) . . . . ?
C64 C58 C63 C60 -170(4) . . . . ?
C59 C58 C63 C61 119(3) . . . . ?
N2 C58 C63 C61 -103.8(19) . . . . ?
C62 C58 C63 C61 140(2) . . . . ?
C64 C58 C63 C61 8(2) . . . . ?
C60 C58 C63 C61 177(5) . . . . ?
C64 C61 C63 C60 -9(13) . . . . ?
C58 C61 C63 C60 6(10) . . . . ?
C64 C61 C63 C58 -15(4) . . . . ?
C63 C61 C64 C58 13(4) . . . . ?
C63 C58 C64 C61 -11(3) . . . . ?
C59 C58 C64 C61 -145(3) . . . . ?
N2 C58 C64 C61 103(3) . . . . ?
C62 C58 C64 C61 -135(3) . . . . ?
C60 C58 C64 C61 -17(4) . . . . ?
C69 C66 C67 C70 131(4) . . . . ?
C68 C66 C67 C70 -9(3) . . . . ?
N3 C66 C67 C70 -118(3) . . . . ?
C72 C66 C67 C70 135(3) . . . . ?
C71 C66 C67 C70 -15(4) . . . . ?
C70 C66 C68 C71 -180(3) . . . . ?
C69 C66 C68 C71 55(4) . . . . ?
N3 C66 C68 C71 -79(3) . . . . ?
C72 C66 C68 C71 87(5) . . . . ?
C67 C66 C68 C71 -174(2) . . . . ?
C69 C66 C68 C70 -125(4) . . . . ?
N3 C66 C68 C70 100(3) . . . . ?
C72 C66 C68 C70 -94(5) . . . . ?
C71 C66 C68 C70 180(3) . . . . ?
C67 C66 C68 C70 6(2) . . . . ?
C70 C66 C69 C72 45(6) . . . . ?
C68 C66 C69 C72 132(5) . . . . ?
N3 C66 C69 C72 -93(5) . . . . ?
C71 C66 C69 C72 168(4) . . . . ?
C67 C66 C69 C72 9(5) . . . . ?
C66 C67 C70 C68 32(13) . . . . ?
C69 C66 C70 C67 -71(5) . . . . ?
C68 C66 C70 C67 170(4) . . . . ?
N3 C66 C70 C67 68(3) . . . . ?
C72 C66 C70 C67 -51(4) . . . . ?
C71 C66 C70 C67 170(3) . . . . ?
C69 C66 C70 C68 119(4) . . . . ?
N3 C66 C70 C68 -102(3) . . . . ?
C72 C66 C70 C68 139(3) . . . . ?
C71 C66 C70 C68 0(3) . . . . ?
C67 C66 C70 C68 -170(4) . . . . ?
C71 C68 C70 C67 -35(16) . . . . ?
C66 C68 C70 C67 -35(14) . . . . ?
C71 C68 C70 C66 1(4) . . . . ?
C70 C68 C71 C66 0(4) . . . . ?
C70 C66 C71 C68 0(3) . . . . ?
C69 C66 C71 C68 -140(3) . . . . ?
N3 C66 C71 C68 111(3) . . . . ?
C72 C66 C71 C68 -134(3) . . . . ?
C67 C66 C71 C68 9(4) . . . . ?
C70 C66 C72 C69 -146(5) . . . . ?
C68 C66 C72 C69 -71(7) . . . . ?
N3 C66 C72 C69 95(5) . . . . ?
C71 C66 C72 C69 -14(5) . . . . ?
C67 C66 C72 C69 -172(5) . . . . ?
C74 N4 C73 Pd3 15(3) . . . . ?
C74 N4 C73 Pd4 169.7(14) . . . . ?
C73 N4 C74 C75 72(3) . . . . ?
C73 N4 C74 C76 -157.9(18) . . . . ?
C73 N4 C74 C77 -41(3) . . . . ?
N5 C79 C80 C83 -63(6) . . . . ?
C85 C79 C80 C83 72(6) . . . . ?
C81 C79 C80 C83 -177(6) . . . . ?
C84 C79 C80 C83 -172(6) . . . . ?
C82 C79 C80 C83 48(6) . . . . ?
C80 C79 C81 C84 11(6) . . . . ?
N5 C79 C81 C84 -106(5) . . . . ?
C85 C79 C81 C84 143(5) . . . . ?
C83 C79 C81 C84 10(7) . . . . ?
C82 C79 C81 C84 144(5) . . . . ?
C80 C79 C82 C85 129(4) . . . . ?
N5 C79 C82 C85 -115(4) . . . . ?
C81 C79 C82 C85 -4(5) . . . . ?
C84 C79 C82 C85 16(5) . . . . ?
C83 C79 C82 C85 146(4) . . . . ?
N5 C79 C83 C80 122(6) . . . . ?
C85 C79 C83 C80 -120(6) . . . . ?
C81 C79 C83 C80 4(7) . . . . ?
C84 C79 C83 C80 8(6) . . . . ?
C82 C79 C83 C80 -136(6) . . . . ?
C80 C79 C84 C81 -169(6) . . . . ?
N5 C79 C84 C81 80(6) . . . . ?
C85 C79 C84 C81 -40(6) . . . . ?
C83 C79 C84 C81 -173(5) . . . . ?
C82 C79 C84 C81 -47(6) . . . . ?
C80 C79 C85 C82 -63(5) . . . . ?
N5 C79 C85 C82 72(4) . . . . ?
C81 C79 C85 C82 177(4) . . . . ?
C84 C79 C85 C82 -168(4) . . . . ?
C83 C79 C85 C82 -39(5) . . . . ?
C89 C87 C88 C91 -10(3) . . . . ?
C93 C87 C88 C91 -155(3) . . . . ?
C90 C87 C88 C91 -143(2) . . . . ?
N6 C87 C88 C91 103(2) . . . . ?
C92 C87 C88 C91 -40(5) . . . . ?
C89 C87 C88 C93 145(3) . . . . ?
C90 C87 C88 C93 13(3) . . . . ?
N6 C87 C88 C93 -102(2) . . . . ?
C91 C87 C88 C93 155(3) . . . . ?
C92 C87 C88 C93 115(5) . . . . ?
C93 C87 C89 C91 78(6) . . . . ?
C90 C87 C89 C91 134(3) . . . . ?
N6 C87 C89 C91 -99(3) . . . . ?
C92 C87 C89 C91 172(4) . . . . ?
C88 C87 C89 C91 10(3) . . . . ?
C93 C87 C89 C92 -94(5) . . . . ?
C90 C87 C89 C92 -38(4) . . . . ?
N6 C87 C89 C92 89(3) . . . . ?
C91 C87 C89 C92 -172(4) . . . . ?
C88 C87 C89 C92 -161(3) . . . . ?
C89 C87 C90 C93 -137(4) . . . . ?
N6 C87 C90 C93 96(3) . . . . ?
C91 C87 C90 C93 -70(5) . . . . ?
C92 C87 C90 C93 -167(3) . . . . ?
C88 C87 C90 C93 -17(3) . . . . ?
C89 C87 C90 C92 30(3) . . . . ?
C93 C87 C90 C92 167(3) . . . . ?
N6 C87 C90 C92 -97(2) . . . . ?
C91 C87 C90 C92 96(4) . . . . ?
C88 C87 C90 C92 150(2) . . . . ?
C92 C89 C91 C88 -4(9) . . . . ?
C87 C89 C91 C88 -15(5) . . . . ?
C92 C89 C91 C87 11(5) . . . . ?
C87 C88 C91 C89 15(4) . . . . ?
C93 C88 C91 C89 -5(6) . . . . ?
C93 C88 C91 C87 -20(2) . . . . ?
C93 C87 C91 C89 -142(3) . . . . ?
C90 C87 C91 C89 -95(5) . . . . ?
N6 C87 C91 C89 99(3) . . . . ?
C92 C87 C91 C89 -7(3) . . . . ?
C88 C87 C91 C89 -167(4) . . . . ?
C89 C87 C91 C88 167(4) . . . . ?
C93 C87 C91 C88 26(3) . . . . ?
C90 C87 C91 C88 72(4) . . . . ?
N6 C87 C91 C88 -94(2) . . . . ?
C92 C87 C91 C88 161(2) . . . . ?
C91 C89 C92 C87 -11(5) . . . . ?
C91 C89 C92 C90 11(7) . . . . ?
C87 C89 C92 C90 23(2) . . . . ?
C93 C87 C92 C89 138(3) . . . . ?
C90 C87 C92 C89 149(3) . . . . ?
N6 C87 C92 C89 -105(3) . . . . ?
C91 C87 C92 C89 6(3) . . . . ?
C88 C87 C92 C89 38(5) . . . . ?
C89 C87 C92 C90 -149(3) . . . . ?
C93 C87 C92 C90 -11(3) . . . . ?
N6 C87 C92 C90 105.7(17) . . . . ?
C91 C87 C92 C90 -142(2) . . . . ?
C88 C87 C92 C90 -111(4) . . . . ?
C92 C90 C93 C87 -13(3) . . . . ?
C87 C90 C93 C88 19(4) . . . . ?
C92 C90 C93 C88 6(7) . . . . ?
C89 C87 C93 C90 85(6) . . . . ?
N6 C87 C93 C90 -98(3) . . . . ?
C91 C87 C93 C90 141(3) . . . . ?
C92 C87 C93 C90 16(4) . . . . ?
C88 C87 C93 C90 163(4) . . . . ?
C89 C87 C93 C88 -78(5) . . . . ?
C90 C87 C93 C88 -163(4) . . . . ?
N6 C87 C93 C88 99(2) . . . . ?
C91 C87 C93 C88 -22(3) . . . . ?
C92 C87 C93 C88 -147(3) . . . . ?
C91 C88 C93 C90 2(6) . . . . ?
C87 C88 C93 C90 -20(4) . . . . ?
C91 C88 C93 C87 22(3) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_Pd7(SiPh2)3(SiPh3)(SiPh)(CNtBu)7
_database_code_depnum_ccdc_archive 'CCDC 2078822'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-04-20 deposited with the CCDC.	2021-07-06 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C95 H113 N7 Pd7 Si5'
_chemical_formula_moiety         'C95 H113 N7 Pd7 Si5'
_chemical_formula_weight         2238.21
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.0947(2)
_cell_length_b                   16.6487(3)
_cell_length_c                   23.8355(3)
_cell_angle_alpha                88.2080(13)
_cell_angle_beta                 81.2880(13)
_cell_angle_gamma                81.8700(13)
_cell_volume                     5472.83(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    47905
_cell_measurement_theta_min      2.07
_cell_measurement_theta_max      31.32
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2248.00
_exptl_absorpt_coefficient_mu    1.220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_T_max  0.988

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            105168
_diffrn_reflns_av_unetI/netI     ?
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_theta_max         31.227
_diffrn_reflns_theta_min         1.729
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.902
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.902
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       34
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             32072
_reflns_number_gt                23544
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0954
_refine_ls_wR_factor_gt          0.0856
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         32072
_refine_ls_number_parameters     1040
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0481P)²+2.8375P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.71398(2) 0.42159(2) 0.37235(2) 0.03033(5) Uani 1 1 d . . . . .
Pd2 Pd 0.71104(2) 0.31453(2) 0.28800(2) 0.02715(5) Uani 1 1 d . . . . .
Pd3 Pd 0.73274(2) 0.14706(2) 0.29983(2) 0.03105(5) Uani 1 1 d . . . . .
Pd4 Pd 0.68226(2) 0.10999(2) 0.19516(2) 0.03267(5) Uani 1 1 d . . . . .
Pd5 Pd 0.69597(2) 0.23796(2) 0.12012(2) 0.02885(5) Uani 1 1 d . . . . .
Pd6 Pd 0.70963(2) 0.37567(2) 0.18232(2) 0.02898(5) Uani 1 1 d . . . . .
Pd7 Pd 0.57868(2) 0.26266(2) 0.22033(2) 0.02864(5) Uani 1 1 d . . . . .
Si1 Si 0.72223(6) 0.44925(5) 0.26676(3) 0.02796(16) Uani 1 1 d . . . . .
Si2 Si 0.72714(6) 0.26822(5) 0.37631(3) 0.03034(16) Uani 1 1 d . . . . .
Si3 Si 0.70397(7) 0.02482(5) 0.26818(4) 0.03853(19) Uani 1 1 d . . . . .
Si4 Si 0.50599(6) 0.24825(5) 0.14074(3) 0.03066(17) Uani 1 1 d . . . . .
Si5 Si 0.75657(5) 0.23050(5) 0.21037(3) 0.02669(15) Uani 1 1 d . . . . .
N1 N 0.7682(2) 0.59627(17) 0.38137(12) 0.0461(7) Uani 1 1 d . . . . .
N2 N 0.6386(2) 0.41299(18) 0.50259(11) 0.0434(6) Uani 1 1 d . . . . .
N3 N 0.7934(2) 0.04420(17) 0.40241(13) 0.0505(7) Uani 1 1 d . . . . .
N4 N 0.6320(2) -0.02955(17) 0.12707(13) 0.0484(7) Uani 1 1 d . . . . .
N5 N 0.8909(3) 0.2559(3) 0.04422(16) 0.0834(13) Uani 1 1 d . . . . .
N6 N 0.6844(2) 0.51366(17) 0.09259(12) 0.0467(7) Uani 1 1 d . . . . .
N7 N 0.38156(19) 0.30979(18) 0.29673(11) 0.0443(7) Uani 1 1 d . . . . .
C1 C 0.8402(2) 0.49057(19) 0.24132(13) 0.0364(7) Uani 1 1 d . . . . .
C2 C 0.9229(3) 0.4621(2) 0.26382(18) 0.0549(9) Uani 1 1 d . . . . .
H2 H 0.919756 0.424533 0.293543 0.066 Uiso 1 1 calc R U . . .
C3 C 1.0115(3) 0.4881(3) 0.2431(2) 0.0795(15) Uani 1 1 d . . . . .
H3 H 1.066756 0.467493 0.258680 0.095 Uiso 1 1 calc R U . . .
C4 C 1.0171(3) 0.5436(3) 0.2003(3) 0.0855(16) Uani 1 1 d . . . . .
H4 H 1.076027 0.561478 0.186808 0.103 Uiso 1 1 calc R U . . .
C5 C 0.9364(4) 0.5733(3) 0.1769(2) 0.0736(13) Uani 1 1 d . . . . .
H5 H 0.940208 0.611422 0.147595 0.088 Uiso 1 1 calc R U . . .
C6 C 0.8495(3) 0.5468(2) 0.19698(15) 0.0495(9) Uani 1 1 d . . . . .
H6 H 0.795218 0.566919 0.180428 0.059 Uiso 1 1 calc R U . . .
C7 C 0.6221(2) 0.53795(17) 0.26353(12) 0.0310(6) Uani 1 1 d . . . . .
C8 C 0.6373(3) 0.61830(19) 0.26438(14) 0.0418(7) Uani 1 1 d . . . . .
H8 H 0.699129 0.630153 0.266787 0.050 Uiso 1 1 calc R U . . .
C9 C 0.5632(3) 0.6809(2) 0.26174(16) 0.0538(9) Uani 1 1 d . . . . .
H9 H 0.575289 0.734364 0.262339 0.065 Uiso 1 1 calc R U . . .
C10 C 0.4712(3) 0.6650(2) 0.25823(16) 0.0550(10) Uani 1 1 d . . . . .
H10 H 0.421214 0.707459 0.256319 0.066 Uiso 1 1 calc R U . . .
C11 C 0.4536(3) 0.5863(2) 0.25755(15) 0.0497(9) Uani 1 1 d . . . . .
H11 H 0.391385 0.574954 0.255643 0.060 Uiso 1 1 calc R U . . .
C12 C 0.5285(2) 0.5239(2) 0.25971(13) 0.0386(7) Uani 1 1 d . . . . .
H12 H 0.515968 0.470671 0.258577 0.046 Uiso 1 1 calc R U . . .
C13 C 0.8494(2) 0.24440(18) 0.40274(13) 0.0355(6) Uani 1 1 d . . . . .
C14 C 0.9288(2) 0.2120(2) 0.36512(16) 0.0489(8) Uani 1 1 d . . . . .
H14 H 0.920830 0.202283 0.328009 0.059 Uiso 1 1 calc R U . . .
C15 C 1.0203(3) 0.1933(3) 0.38101(19) 0.0648(11) Uani 1 1 d . . . . .
H15 H 1.071937 0.170132 0.354923 0.078 Uiso 1 1 calc R U . . .
C16 C 1.0346(3) 0.2089(3) 0.4347(2) 0.0675(12) Uani 1 1 d . . . . .
H16 H 1.095962 0.196931 0.445321 0.081 Uiso 1 1 calc R U . . .
C17 C 0.9577(3) 0.2425(3) 0.47278(19) 0.0619(11) Uani 1 1 d . . . . .
H17 H 0.966925 0.253573 0.509428 0.074 Uiso 1 1 calc R U . . .
C18 C 0.8663(3) 0.2601(2) 0.45708(15) 0.0508(9) Uani 1 1 d . . . . .
H18 H 0.814998 0.282938 0.483536 0.061 Uiso 1 1 calc R U . . .
C19 C 0.6304(2) 0.23351(18) 0.43162(12) 0.0359(7) Uani 1 1 d . . . . .
C20 C 0.6473(3) 0.1919(3) 0.48057(17) 0.0653(12) Uani 1 1 d . . . . .
H20 H 0.709980 0.183691 0.489536 0.078 Uiso 1 1 calc R U . . .
C21 C 0.5747(4) 0.1619(3) 0.5168(2) 0.0833(15) Uani 1 1 d . . . . .
H21 H 0.589073 0.133858 0.549504 0.100 Uiso 1 1 calc R U . . .
C22 C 0.4833(4) 0.1728(3) 0.5055(2) 0.0793(14) Uani 1 1 d . . . . .
H22 H 0.434693 0.151513 0.529691 0.095 Uiso 1 1 calc R U . . .
C23 C 0.4628(3) 0.2152(4) 0.4583(2) 0.0832(15) Uani 1 1 d . . . . .
H23 H 0.399500 0.223856 0.450468 0.100 Uiso 1 1 calc R U . . .
C24 C 0.5358(3) 0.2457(3) 0.42156(16) 0.0606(11) Uani 1 1 d . . . . .
H24 H 0.520389 0.274975 0.389518 0.073 Uiso 1 1 calc R U . . .
C25 C 0.7956(3) -0.0685(2) 0.25397(15) 0.0500(9) Uani 1 1 d . . . . .
C26 C 0.8878(3) -0.0702(3) 0.2656(2) 0.0750(13) Uani 1 1 d . . . . .
H26 H 0.903846 -0.026318 0.283606 0.090 Uiso 1 1 calc R U . . .
C27 C 0.9586(4) -0.1369(4) 0.2507(3) 0.0961(18) Uani 1 1 d . . . . .
H27 H 1.020775 -0.137146 0.259350 0.115 Uiso 1 1 calc R U . . .
C28 C 0.9373(5) -0.2007(3) 0.2240(3) 0.0982(19) Uani 1 1 d . . . . .
H28 H 0.984898 -0.244514 0.213980 0.118 Uiso 1 1 calc R U . . .
C29 C 0.8482(5) -0.2011(3) 0.2120(2) 0.0873(16) Uani 1 1 d . . . . .
H29 H 0.834019 -0.245314 0.193559 0.105 Uiso 1 1 calc R U . . .
C30 C 0.7767(4) -0.1365(2) 0.22668(18) 0.0649(11) Uani 1 1 d . . . . .
H30 H 0.714714 -0.138184 0.218259 0.078 Uiso 1 1 calc R U . . .
C31 C 0.5867(3) -0.0053(2) 0.30596(15) 0.0463(8) Uani 1 1 d . . . . .
C32 C 0.5608(4) -0.0821(3) 0.31073(19) 0.0696(12) Uani 1 1 d . . . . .
H32 H 0.606174 -0.126140 0.297675 0.084 Uiso 1 1 calc R U . . .
C33 C 0.4671(4) -0.0952(3) 0.3349(2) 0.0889(16) Uani 1 1 d . . . . .
H33 H 0.450365 -0.147401 0.336140 0.107 Uiso 1 1 calc R U . . .
C34 C 0.4021(4) -0.0342(4) 0.3561(2) 0.0843(15) Uani 1 1 d . . . . .
H34 H 0.340612 -0.043852 0.372632 0.101 Uiso 1 1 calc R U . . .
C35 C 0.4252(4) 0.0433(3) 0.3536(2) 0.0901(17) Uani 1 1 d . . . . .
H35 H 0.379795 0.086268 0.368574 0.108 Uiso 1 1 calc R U . . .
C36 C 0.5162(3) 0.0568(3) 0.3286(2) 0.0716(13) Uani 1 1 d . . . . .
H36 H 0.531129 0.109582 0.326911 0.086 Uiso 1 1 calc R U . . .
C37 C 0.5701(2) 0.24335(19) 0.06368(13) 0.0358(7) Uani 1 1 d . . . . .
C38 C 0.6013(3) 0.1699(2) 0.03608(14) 0.0476(8) Uani 1 1 d . . . . .
H38 H 0.588739 0.122096 0.055119 0.057 Uiso 1 1 calc R U . . .
C39 C 0.6504(3) 0.1657(3) -0.01863(17) 0.0620(11) Uani 1 1 d . . . . .
H39 H 0.669115 0.115622 -0.036125 0.074 Uiso 1 1 calc R U . . .
C40 C 0.6712(3) 0.2344(3) -0.04695(16) 0.0693(12) Uani 1 1 d . . . . .
H40 H 0.703512 0.231562 -0.084024 0.083 Uiso 1 1 calc R U . . .
C41 C 0.6448(3) 0.3081(3) -0.02091(17) 0.0650(11) Uani 1 1 d . . . . .
H41 H 0.660037 0.355206 -0.040028 0.078 Uiso 1 1 calc R U . . .
C42 C 0.5954(3) 0.3122(2) 0.03375(14) 0.0463(8) Uani 1 1 d . . . . .
H42 H 0.578411 0.362527 0.051103 0.056 Uiso 1 1 calc R U . . .
C43 C 0.4300(2) 0.16171(19) 0.14629(14) 0.0382(7) Uani 1 1 d . . . . .
C44 C 0.3805(2) 0.1449(2) 0.10312(16) 0.0480(8) Uani 1 1 d . . . . .
H44 H 0.386608 0.175243 0.069666 0.058 Uiso 1 1 calc R U . . .
C45 C 0.3225(3) 0.0847(3) 0.1084(2) 0.0605(11) Uani 1 1 d . . . . .
H45 H 0.289861 0.074912 0.078751 0.073 Uiso 1 1 calc R U . . .
C46 C 0.3126(3) 0.0390(2) 0.1569(2) 0.0677(12) Uani 1 1 d . . . . .
H46 H 0.272601 -0.001324 0.160470 0.081 Uiso 1 1 calc R U . . .
C47 C 0.3617(3) 0.0528(2) 0.2004(2) 0.0629(11) Uani 1 1 d . . . . .
H47 H 0.356193 0.021261 0.233287 0.075 Uiso 1 1 calc R U . . .
C48 C 0.4192(3) 0.1139(2) 0.19492(16) 0.0487(8) Uani 1 1 d . . . . .
H48 H 0.451732 0.123266 0.224718 0.058 Uiso 1 1 calc R U . . .
C49 C 0.4154(2) 0.34481(19) 0.13982(12) 0.0332(6) Uani 1 1 d . . . . .
C50 C 0.4440(2) 0.4208(2) 0.14552(13) 0.0396(7) Uani 1 1 d . . . . .
H50 H 0.507455 0.423638 0.150782 0.048 Uiso 1 1 calc R U . . .
C51 C 0.3807(3) 0.4915(2) 0.14354(15) 0.0465(8) Uani 1 1 d . . . . .
H51 H 0.402176 0.541159 0.146900 0.056 Uiso 1 1 calc R U . . .
C52 C 0.2864(3) 0.4891(2) 0.13666(15) 0.0488(8) Uani 1 1 d . . . . .
H52 H 0.243970 0.536983 0.134992 0.059 Uiso 1 1 calc R U . . .
C53 C 0.2553(2) 0.4156(2) 0.13226(15) 0.0504(9) Uani 1 1 d . . . . .
H53 H 0.191009 0.413571 0.128312 0.060 Uiso 1 1 calc R U . . .
C54 C 0.3187(2) 0.3444(2) 0.13366(14) 0.0425(7) Uani 1 1 d . . . . .
H54 H 0.296252 0.295103 0.130418 0.051 Uiso 1 1 calc R U . . .
C55 C 0.8933(2) 0.20975(19) 0.19942(12) 0.0342(6) Uani 1 1 d . . . . .
C56 C 0.9449(3) 0.1323(2) 0.19823(19) 0.0618(11) Uani 1 1 d . . . . .
H56 H 0.911638 0.087782 0.198842 0.074 Uiso 1 1 calc R U . . .
C57 C 1.0439(3) 0.1194(3) 0.1962(2) 0.0838(16) Uani 1 1 d . . . . .
H57 H 1.076407 0.066750 0.196162 0.101 Uiso 1 1 calc R U . . .
C58 C 1.0942(3) 0.1832(3) 0.1942(2) 0.0815(15) Uani 1 1 d . . . . .
H58 H 1.161304 0.174525 0.191927 0.098 Uiso 1 1 calc R U . . .
C59 C 1.0465(3) 0.2595(3) 0.1955(2) 0.0716(13) Uani 1 1 d . . . . .
H59 H 1.080629 0.303516 0.195021 0.086 Uiso 1 1 calc R U . . .
C60 C 0.9474(2) 0.2724(2) 0.19761(17) 0.0507(9) Uani 1 1 d . . . . .
H60 H 0.915939 0.325408 0.197811 0.061 Uiso 1 1 calc R U . . .
C61 C 0.7451(2) 0.53503(19) 0.37283(13) 0.0389(7) Uani 1 1 d . . . . .
C62 C 0.7996(3) 0.6736(2) 0.39117(18) 0.0582(10) Uani 1 1 d . . . . .
C63 C 0.9013(4) 0.6712(3) 0.3590(3) 0.117(2) Uani 1 1 d . . . . .
H63A H 0.925066 0.721305 0.364280 0.140 Uiso 1 1 calc R U . . .
H63B H 0.943026 0.626961 0.373018 0.140 Uiso 1 1 calc R U . . .
H63C H 0.900283 0.663838 0.319324 0.140 Uiso 1 1 calc R U . . .
C64 C 0.7980(5) 0.6802(3) 0.4540(2) 0.111(2) Uani 1 1 d . . . . .
H64A H 0.818330 0.730708 0.462069 0.133 Uiso 1 1 calc R U . . .
H64B H 0.733367 0.678094 0.473170 0.133 Uiso 1 1 calc R U . . .
H64C H 0.841156 0.636029 0.466849 0.133 Uiso 1 1 calc R U . . .
C65 C 0.7302(4) 0.7398(2) 0.3691(2) 0.0760(14) Uani 1 1 d . . . . .
H65A H 0.749330 0.791602 0.375091 0.091 Uiso 1 1 calc R U . . .
H65B H 0.730901 0.732407 0.329263 0.091 Uiso 1 1 calc R U . . .
H65C H 0.665964 0.737682 0.388910 0.091 Uiso 1 1 calc R U . . .
C66 C 0.6721(2) 0.40821(19) 0.45588(13) 0.0380(7) Uani 1 1 d . . . . .
C67 C 0.5986(3) 0.4171(2) 0.56257(13) 0.0507(9) Uani 1 1 d . . . . .
C68 C 0.5839(4) 0.5063(3) 0.57936(17) 0.0770(14) Uani 1 1 d . . . . .
H68A H 0.557523 0.511307 0.618856 0.092 Uiso 1 1 calc R U . . .
H68B H 0.645085 0.526748 0.572763 0.092 Uiso 1 1 calc R U . . .
H68C H 0.539979 0.536986 0.557017 0.092 Uiso 1 1 calc R U . . .
C69 C 0.6722(3) 0.3666(3) 0.59365(17) 0.0838(16) Uani 1 1 d . . . . .
H69A H 0.648941 0.367419 0.633649 0.101 Uiso 1 1 calc R U . . .
H69B H 0.682091 0.311683 0.580469 0.101 Uiso 1 1 calc R U . . .
H69C H 0.732428 0.388450 0.586589 0.101 Uiso 1 1 calc R U . . .
C70 C 0.5032(3) 0.3846(3) 0.57009(18) 0.0709(12) Uani 1 1 d . . . . .
H70A H 0.475411 0.386706 0.609449 0.085 Uiso 1 1 calc R U . . .
H70B H 0.459953 0.416855 0.548096 0.085 Uiso 1 1 calc R U . . .
H70C H 0.513294 0.329380 0.557518 0.085 Uiso 1 1 calc R U . . .
C71 C 0.7672(2) 0.08508(19) 0.36677(14) 0.0401(7) Uani 1 1 d . . . . .
C72 C 0.8262(3) -0.0131(2) 0.44509(17) 0.0616(11) Uani 1 1 d . . . . .
C73 C 0.7411(5) -0.0553(3) 0.4693(3) 0.110(2) Uani 1 1 d . . . . .
H73A H 0.759789 -0.093860 0.497751 0.132 Uiso 1 1 calc R U . . .
H73B H 0.688803 -0.015963 0.485945 0.132 Uiso 1 1 calc R U . . .
H73C H 0.720476 -0.082992 0.439485 0.132 Uiso 1 1 calc R U . . .
C74 C 0.8580(5) 0.0315(3) 0.4899(2) 0.100(2) Uani 1 1 d . . . . .
H74A H 0.879700 -0.006087 0.518127 0.120 Uiso 1 1 calc R U . . .
H74B H 0.910133 0.060204 0.473460 0.120 Uiso 1 1 calc R U . . .
H74C H 0.804720 0.069545 0.507152 0.120 Uiso 1 1 calc R U . . .
C75 C 0.9042(5) -0.0731(4) 0.4170(2) 0.114(2) Uani 1 1 d . . . . .
H75A H 0.926657 -0.111372 0.444703 0.136 Uiso 1 1 calc R U . . .
H75B H 0.879992 -0.101089 0.388789 0.136 Uiso 1 1 calc R U . . .
H75C H 0.956834 -0.045915 0.399300 0.136 Uiso 1 1 calc R U . . .
C76 C 0.6475(2) 0.02366(19) 0.15108(14) 0.0400(7) Uani 1 1 d . . . . .
C77 C 0.6063(3) -0.0954(2) 0.09595(17) 0.0534(9) Uani 1 1 d . . . . .
C78 C 0.6999(4) -0.1483(3) 0.0735(2) 0.0840(15) Uani 1 1 d . . . . .
H78A H 0.685992 -0.192603 0.052704 0.101 Uiso 1 1 calc R U . . .
H78B H 0.741110 -0.116708 0.048956 0.101 Uiso 1 1 calc R U . . .
H78C H 0.732112 -0.169276 0.104741 0.101 Uiso 1 1 calc R U . . .
C79 C 0.5382(4) -0.1402(3) 0.1357(2) 0.0786(14) Uani 1 1 d . . . . .
H79A H 0.520420 -0.183813 0.115960 0.094 Uiso 1 1 calc R U . . .
H79B H 0.569511 -0.161678 0.167123 0.094 Uiso 1 1 calc R U . . .
H79C H 0.481022 -0.103573 0.149583 0.094 Uiso 1 1 calc R U . . .
C80 C 0.5561(4) -0.0574(3) 0.04828(19) 0.0747(13) Uani 1 1 d . . . . .
H80A H 0.538076 -0.099168 0.026805 0.090 Uiso 1 1 calc R U . . .
H80B H 0.499091 -0.021780 0.063651 0.090 Uiso 1 1 calc R U . . .
H80C H 0.599163 -0.027041 0.023975 0.090 Uiso 1 1 calc R U . . .
C81 C 0.8212(3) 0.2431(3) 0.07077(15) 0.0508(9) Uani 1 1 d . . . . .
C82 C 0.9840(6) 0.2826(7) 0.0163(4) 0.162(4) Uani 1 1 d . . . . .
C83 C 0.9948(11) 0.3639(9) 0.0587(7) 0.088(4) Uiso 0.4 1 d . . P . .
C84 C 0.9670(17) 0.3160(16) -0.0405(11) 0.156(8) Uiso 0.4 1 d . . P . .
C85 C 1.0671(12) 0.2036(11) 0.0398(7) 0.087(5) Uiso 0.4 1 d . . P . .
C86 C 1.0644(15) 0.2389(11) 0.0315(8) 0.153(7) Uiso 0.6 1 d . . P . .
C87 C 0.9733(12) 0.3743(11) 0.0271(8) 0.157(6) Uiso 0.6 1 d . . P . .
C88 C 0.9898(9) 0.2553(8) -0.0485(5) 0.118(4) Uiso 0.6 1 d . . P . .
C89 C 0.6979(2) 0.46159(19) 0.12453(13) 0.0379(7) Uani 1 1 d . . . . .
C90 C 0.6587(3) 0.5808(2) 0.05508(15) 0.0504(9) Uani 1 1 d . . . . .
C91 C 0.7497(4) 0.6116(3) 0.0287(2) 0.0895(17) Uani 1 1 d . . . . .
H91A H 0.734282 0.656172 0.003608 0.107 Uiso 1 1 calc R U . . .
H91B H 0.781697 0.629472 0.057851 0.107 Uiso 1 1 calc R U . . .
H91C H 0.791710 0.568890 0.007570 0.107 Uiso 1 1 calc R U . . .
C92 C 0.5919(4) 0.6455(3) 0.0903(2) 0.0872(15) Uani 1 1 d . . . . .
H92A H 0.573772 0.690755 0.066422 0.105 Uiso 1 1 calc R U . . .
H92B H 0.534872 0.623686 0.107727 0.105 Uiso 1 1 calc R U . . .
H92C H 0.624620 0.663075 0.119286 0.105 Uiso 1 1 calc R U . . .
C93 C 0.6063(4) 0.5497(3) 0.01192(18) 0.0685(12) Uani 1 1 d . . . . .
H93A H 0.588243 0.592985 -0.013626 0.082 Uiso 1 1 calc R U . . .
H93B H 0.647824 0.506695 -0.009063 0.082 Uiso 1 1 calc R U . . .
H93C H 0.549059 0.529594 0.030793 0.082 Uiso 1 1 calc R U . . .
C94 C 0.4575(2) 0.29229(19) 0.27167(12) 0.0354(6) Uani 1 1 d . . . . .
C95 C 0.2802(2) 0.3357(2) 0.31759(15) 0.0477(8) Uani 1 1 d . . . . .
C96 C 0.2619(3) 0.4256(3) 0.30452(18) 0.0659(11) Uani 1 1 d . . . . .
H96A H 0.195279 0.445988 0.317565 0.079 Uiso 1 1 calc R U . . .
H96B H 0.302949 0.453552 0.323415 0.079 Uiso 1 1 calc R U . . .
H96C H 0.275927 0.434388 0.264295 0.079 Uiso 1 1 calc R U . . .
C97 C 0.2631(3) 0.3184(3) 0.38063(16) 0.0635(11) Uani 1 1 d . . . . .
H97A H 0.196199 0.335202 0.395309 0.076 Uiso 1 1 calc R U . . .
H97B H 0.279229 0.261349 0.387398 0.076 Uiso 1 1 calc R U . . .
H97C H 0.303109 0.347827 0.399266 0.076 Uiso 1 1 calc R U . . .
C98 C 0.2217(3) 0.2882(3) 0.28598(19) 0.0754(14) Uani 1 1 d . . . . .
H98A H 0.153922 0.303866 0.298804 0.090 Uiso 1 1 calc R U . . .
H98B H 0.235657 0.299173 0.246024 0.090 Uiso 1 1 calc R U . . .
H98C H 0.238548 0.231205 0.293003 0.090 Uiso 1 1 calc R U . . .
C99 C 0.9249(5) 0.4930(4) 0.5467(3) 0.1071(19) Uiso 1 1 d . . . . .
C100 C 0.9197(5) 0.4649(4) 0.4970(3) 0.1040(18) Uiso 1 1 d . . . . .
C101 C 0.9890(4) 0.4687(4) 0.4492(3) 0.0955(17) Uiso 1 1 d . . . . .
C102 C 0.9863(6) 0.4397(5) 0.4016(4) 0.064(2) Uiso 0.5 1 d . . P . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C61 1.999(3) . ?
Pd1 C66 2.004(3) . ?
Pd1 Si1 2.5325(8) . ?
Pd1 Si2 2.5337(8) . ?
Pd1 Pd2 2.7369(3) . ?
Pd2 Si2 2.2517(8) . ?
Pd2 Si1 2.3058(8) . ?
Pd2 Si5 2.3111(8) . ?
Pd2 Pd6 2.6891(3) . ?
Pd2 Pd3 2.7718(3) . ?
Pd2 Pd7 2.8779(3) . ?
Pd3 C71 1.959(3) . ?
Pd3 Si3 2.3017(9) . ?
Pd3 Si5 2.5139(8) . ?
Pd3 Si2 2.7458(8) . ?
Pd3 Pd4 2.8055(3) . ?
Pd4 C76 1.964(3) . ?
Pd4 Si3 2.2400(9) . ?
Pd4 Si5 2.4514(8) . ?
Pd4 Pd5 2.7476(3) . ?
Pd4 Pd7 2.7807(3) . ?
Pd5 C81 1.978(3) . ?
Pd5 C37 2.373(3) . ?
Pd5 Si5 2.4254(8) . ?
Pd5 Si4 2.6303(8) . ?
Pd5 Pd7 2.6982(3) . ?
Pd5 Pd6 2.8135(3) . ?
Pd6 C89 1.962(3) . ?
Pd6 Si1 2.4303(8) . ?
Pd6 Si5 2.5114(8) . ?
Pd6 Pd7 2.8525(3) . ?
Pd7 C94 1.956(3) . ?
Pd7 Si4 2.3223(8) . ?
Pd7 Si5 2.4653(8) . ?
Si1 C1 1.897(3) . ?
Si1 C7 1.901(3) . ?
Si2 C19 1.887(3) . ?
Si2 C13 1.908(3) . ?
Si3 C25 1.879(4) . ?
Si3 C31 1.884(4) . ?
Si4 C43 1.903(3) . ?
Si4 C49 1.908(3) . ?
Si4 C37 1.919(3) . ?
Si5 C55 1.888(3) . ?
N1 C61 1.147(4) . ?
N1 C62 1.456(4) . ?
N2 C66 1.142(4) . ?
N2 C67 1.455(4) . ?
N3 C71 1.144(4) . ?
N3 C72 1.455(4) . ?
N4 C76 1.134(4) . ?
N4 C77 1.459(4) . ?
N5 C81 1.129(4) . ?
N5 C82 1.498(7) . ?
N6 C89 1.150(4) . ?
N6 C90 1.449(4) . ?
N7 C94 1.147(4) . ?
N7 C95 1.449(4) . ?
C1 C2 1.375(5) . ?
C1 C6 1.393(5) . ?
C2 C3 1.394(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.373(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.386(4) . ?
C7 C12 1.389(4) . ?
C8 C9 1.376(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.374(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.369(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.380(5) . ?
C13 C18 1.391(4) . ?
C14 C15 1.389(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.368(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.373(5) . ?
C19 C24 1.377(5) . ?
C20 C21 1.376(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.342(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.355(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(6) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.365(6) . ?
C25 C30 1.400(5) . ?
C26 C27 1.399(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.347(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.330(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(6) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.376(5) . ?
C31 C36 1.389(6) . ?
C32 C33 1.402(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.325(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.372(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.375(6) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.390(5) . ?
C37 C42 1.392(5) . ?
C38 C39 1.379(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.356(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.370(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.380(5) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.387(5) . ?
C43 C44 1.384(4) . ?
C44 C45 1.371(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.363(6) . ?
C45 H45 0.9300 . ?
C46 C47 1.373(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.378(5) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C50 1.396(4) . ?
C49 C54 1.394(4) . ?
C50 C51 1.377(5) . ?
C50 H50 0.9300 . ?
C51 C52 1.370(5) . ?
C51 H51 0.9300 . ?
C52 C53 1.369(5) . ?
C52 H52 0.9300 . ?
C53 C54 1.383(5) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C60 1.372(5) . ?
C55 C56 1.387(5) . ?
C56 C57 1.375(5) . ?
C56 H56 0.9300 . ?
C57 C58 1.354(7) . ?
C57 H57 0.9300 . ?
C58 C59 1.350(6) . ?
C58 H58 0.9300 . ?
C59 C60 1.377(5) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C62 C64 1.501(6) . ?
C62 C65 1.504(6) . ?
C62 C63 1.516(7) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C67 C70 1.504(6) . ?
C67 C69 1.510(5) . ?
C67 C68 1.528(6) . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C72 C75 1.470(7) . ?
C72 C74 1.476(6) . ?
C72 C73 1.506(7) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C77 C78 1.514(6) . ?
C77 C80 1.504(6) . ?
C77 C79 1.503(6) . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C82 C86 1.350(18) . ?
C82 C84 1.49(2) . ?
C82 C88 1.610(15) . ?
C82 C87 1.539(18) . ?
C82 C83 1.752(19) . ?
C82 C85 1.77(2) . ?
C83 C87 0.856(19) . ?
C84 C88 1.03(2) . ?
C84 C87 1.93(3) . ?
C85 C86 0.61(2) . ?
C90 C91 1.492(6) . ?
C90 C93 1.498(5) . ?
C90 C92 1.511(6) . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C95 C97 1.510(5) . ?
C95 C98 1.510(5) . ?
C95 C96 1.514(6) . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?
C99 C100 1.302(8) . ?
C99 C101 1.465(8) 2_766 ?
C100 C101 1.391(8) . ?
C101 C102 1.254(10) . ?

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
C61 Pd1 C66 98.32(13) . . ?
C61 Pd1 Si1 82.78(9) . . ?
C66 Pd1 Si1 165.71(9) . . ?
C61 Pd1 Si2 162.76(10) . . ?
C66 Pd1 Si2 81.59(9) . . ?
Si1 Pd1 Si2 101.58(3) . . ?
C61 Pd1 Pd2 133.73(9) . . ?
C66 Pd1 Pd2 127.79(9) . . ?
Si1 Pd1 Pd2 51.721(18) . . ?
Si2 Pd1 Pd2 50.402(18) . . ?
Si2 Pd2 Si1 118.94(3) . . ?
Si2 Pd2 Si5 121.15(3) . . ?
Si1 Pd2 Si5 113.54(3) . . ?
Si2 Pd2 Pd6 174.01(2) . . ?
Si1 Pd2 Pd6 57.62(2) . . ?
Si5 Pd2 Pd6 59.73(2) . . ?
Si2 Pd2 Pd1 60.12(2) . . ?
Si1 Pd2 Pd1 59.57(2) . . ?
Si5 Pd2 Pd1 162.75(2) . . ?
Pd6 Pd2 Pd1 117.058(10) . . ?
Si2 Pd2 Pd3 65.31(2) . . ?
Si1 Pd2 Pd3 168.65(2) . . ?
Si5 Pd2 Pd3 58.45(2) . . ?
Pd6 Pd2 Pd3 117.068(10) . . ?
Pd1 Pd2 Pd3 125.396(10) . . ?
Si2 Pd2 Pd7 124.23(2) . . ?
Si1 Pd2 Pd7 107.72(2) . . ?
Si5 Pd2 Pd7 55.441(19) . . ?
Pd6 Pd2 Pd7 61.536(8) . . ?
Pd1 Pd2 Pd7 140.263(10) . . ?
Pd3 Pd2 Pd7 75.040(8) . . ?
C71 Pd3 Si3 85.06(9) . . ?
C71 Pd3 Si5 157.97(10) . . ?
Si3 Pd3 Si5 103.34(3) . . ?
C71 Pd3 Si2 78.25(9) . . ?
Si3 Pd3 Si2 156.78(3) . . ?
Si5 Pd3 Si2 98.06(2) . . ?
C71 Pd3 Pd2 125.94(9) . . ?
Si3 Pd3 Pd2 147.91(2) . . ?
Si5 Pd3 Pd2 51.575(18) . . ?
Si2 Pd3 Pd2 48.168(17) . . ?
C71 Pd3 Pd4 135.71(9) . . ?
Si3 Pd3 Pd4 50.87(2) . . ?
Si5 Pd3 Pd4 54.550(18) . . ?
Si2 Pd3 Pd4 144.768(18) . . ?
Pd2 Pd3 Pd4 98.278(9) . . ?
C76 Pd4 Si3 91.48(9) . . ?
C76 Pd4 Si5 156.17(10) . . ?
Si3 Pd4 Si5 107.27(3) . . ?
C76 Pd4 Pd5 104.51(9) . . ?
Si3 Pd4 Pd5 162.14(3) . . ?
Si5 Pd4 Pd5 55.263(19) . . ?
C76 Pd4 Pd7 128.11(10) . . ?
Si3 Pd4 Pd7 117.22(3) . . ?
Si5 Pd4 Pd7 55.796(19) . . ?
Pd5 Pd4 Pd7 58.424(8) . . ?
C76 Pd4 Pd3 144.29(9) . . ?
Si3 Pd4 Pd3 52.85(2) . . ?
Si5 Pd4 Pd3 56.656(19) . . ?
Pd5 Pd4 Pd3 111.035(10) . . ?
Pd7 Pd4 Pd3 76.069(9) . . ?
C81 Pd5 C37 109.79(13) . . ?
C81 Pd5 Si5 97.43(11) . . ?
C37 Pd5 Si5 152.77(8) . . ?
C81 Pd5 Si4 153.98(11) . . ?
C37 Pd5 Si4 44.74(8) . . ?
Si5 Pd5 Si4 108.11(3) . . ?
C81 Pd5 Pd7 151.38(11) . . ?
C37 Pd5 Pd7 96.13(8) . . ?
Si5 Pd5 Pd7 57.226(19) . . ?
Si4 Pd5 Pd7 51.656(18) . . ?
C81 Pd5 Pd4 118.16(12) . . ?
C37 Pd5 Pd4 108.50(8) . . ?
Si5 Pd5 Pd4 56.157(19) . . ?
Si4 Pd5 Pd4 81.478(19) . . ?
Pd7 Pd5 Pd4 61.402(8) . . ?
C81 Pd5 Pd6 93.63(11) . . ?
C37 Pd5 Pd6 118.95(8) . . ?
Si5 Pd5 Pd6 56.708(19) . . ?
Si4 Pd5 Pd6 96.22(2) . . ?
Pd7 Pd5 Pd6 62.292(8) . . ?
Pd4 Pd5 Pd6 107.720(9) . . ?
C89 Pd6 Si1 103.25(9) . . ?
C89 Pd6 Si5 151.20(10) . . ?
Si1 Pd6 Si5 102.78(3) . . ?
C89 Pd6 Pd2 155.79(9) . . ?
Si1 Pd6 Pd2 53.247(19) . . ?
Si5 Pd6 Pd2 52.636(18) . . ?
C89 Pd6 Pd5 101.29(9) . . ?
Si1 Pd6 Pd5 155.40(2) . . ?
Si5 Pd6 Pd5 53.830(18) . . ?
Pd2 Pd6 Pd5 102.168(9) . . ?
C89 Pd6 Pd7 128.44(9) . . ?
Si1 Pd6 Pd7 105.03(2) . . ?
Si5 Pd6 Pd7 54.273(18) . . ?
Pd2 Pd6 Pd7 62.493(8) . . ?
Pd5 Pd6 Pd7 56.871(7) . . ?
C94 Pd7 Si4 95.56(9) . . ?
C94 Pd7 Si5 146.74(9) . . ?
Si4 Pd7 Si5 117.55(3) . . ?
C94 Pd7 Pd5 157.15(9) . . ?
Si4 Pd7 Pd5 62.66(2) . . ?
Si5 Pd7 Pd5 55.813(18) . . ?
C94 Pd7 Pd4 129.33(9) . . ?
Si4 Pd7 Pd4 86.45(2) . . ?
Si5 Pd7 Pd4 55.322(19) . . ?
Pd5 Pd7 Pd4 60.174(8) . . ?
C94 Pd7 Pd6 122.83(9) . . ?
Si4 Pd7 Pd6 102.68(2) . . ?
Si5 Pd7 Pd6 55.791(19) . . ?
Pd5 Pd7 Pd6 60.836(8) . . ?
Pd4 Pd7 Pd6 105.734(10) . . ?
C94 Pd7 Pd2 98.99(9) . . ?
Si4 Pd7 Pd2 158.47(2) . . ?
Si5 Pd7 Pd2 50.537(18) . . ?
Pd5 Pd7 Pd2 100.287(9) . . ?
Pd4 Pd7 Pd2 96.378(9) . . ?
Pd6 Pd7 Pd2 55.971(7) . . ?
C1 Si1 C7 105.97(14) . . ?
C1 Si1 Pd2 124.23(10) . . ?
C7 Si1 Pd2 129.56(10) . . ?
C1 Si1 Pd6 99.16(10) . . ?
C7 Si1 Pd6 100.66(9) . . ?
Pd2 Si1 Pd6 69.13(2) . . ?
C1 Si1 Pd1 107.55(10) . . ?
C7 Si1 Pd1 102.73(9) . . ?
Pd2 Si1 Pd1 68.71(2) . . ?
Pd6 Si1 Pd1 137.65(3) . . ?
C19 Si2 C13 108.90(14) . . ?
C19 Si2 Pd2 127.43(10) . . ?
C13 Si2 Pd2 123.18(10) . . ?
C19 Si2 Pd1 111.27(10) . . ?
C13 Si2 Pd1 98.93(10) . . ?
Pd2 Si2 Pd1 69.48(2) . . ?
C19 Si2 Pd3 96.88(10) . . ?
C13 Si2 Pd3 103.17(10) . . ?
Pd2 Si2 Pd3 66.52(2) . . ?
Pd1 Si2 Pd3 135.96(3) . . ?
C25 Si3 C31 109.27(17) . . ?
C25 Si3 Pd4 117.42(12) . . ?
C31 Si3 Pd4 112.57(11) . . ?
C25 Si3 Pd3 126.00(13) . . ?
C31 Si3 Pd3 111.70(12) . . ?
Pd4 Si3 Pd3 76.28(3) . . ?
C43 Si4 C49 105.17(13) . . ?
C43 Si4 C37 103.74(14) . . ?
C49 Si4 C37 102.06(13) . . ?
C43 Si4 Pd7 114.16(11) . . ?
C49 Si4 Pd7 103.70(9) . . ?
C37 Si4 Pd7 125.72(9) . . ?
C43 Si4 Pd5 127.55(10) . . ?
C49 Si4 Pd5 126.45(10) . . ?
C37 Si4 Pd5 60.52(9) . . ?
Pd7 Si4 Pd5 65.68(2) . . ?
C55 Si5 Pd2 106.73(9) . . ?
C55 Si5 Pd5 110.76(9) . . ?
Pd2 Si5 Pd5 129.38(3) . . ?
C55 Si5 Pd4 112.49(10) . . ?
Pd2 Si5 Pd4 124.65(3) . . ?
Pd5 Si5 Pd4 68.58(2) . . ?
C55 Si5 Pd7 176.94(11) . . ?
Pd2 Si5 Pd7 74.02(2) . . ?
Pd5 Si5 Pd7 66.96(2) . . ?
Pd4 Si5 Pd7 68.88(2) . . ?
C55 Si5 Pd6 107.50(10) . . ?
Pd2 Si5 Pd6 67.63(2) . . ?
Pd5 Si5 Pd6 69.46(2) . . ?
Pd4 Si5 Pd6 129.64(3) . . ?
Pd7 Si5 Pd6 69.94(2) . . ?
C55 Si5 Pd3 95.59(10) . . ?
Pd2 Si5 Pd3 69.98(2) . . ?
Pd5 Si5 Pd3 135.86(3) . . ?
Pd4 Si5 Pd3 68.79(2) . . ?
Pd7 Si5 Pd3 87.45(3) . . ?
Pd6 Si5 Pd3 135.92(3) . . ?
C61 N1 C62 178.6(4) . . ?
C66 N2 C67 178.1(4) . . ?
C71 N3 C72 175.6(4) . . ?
C76 N4 C77 176.6(4) . . ?
C81 N5 C82 170.8(6) . . ?
C89 N6 C90 174.9(4) . . ?
C94 N7 C95 168.8(3) . . ?
C2 C1 C6 116.6(3) . . ?
C2 C1 Si1 120.9(3) . . ?
C6 C1 Si1 122.5(3) . . ?
C1 C2 C3 121.5(4) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 H2 119.2 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.2(4) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 122.1(4) . . ?
C5 C6 H6 119.0 . . ?
C1 C6 H6 119.0 . . ?
C8 C7 C12 116.7(3) . . ?
C8 C7 Si1 123.2(2) . . ?
C12 C7 Si1 120.1(2) . . ?
C9 C8 C7 121.5(3) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 119.7(3) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 119.6(3) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C11 C12 C7 122.2(3) . . ?
C11 C12 H12 118.9 . . ?
C7 C12 H12 118.9 . . ?
C14 C13 C18 116.4(3) . . ?
C14 C13 Si2 118.5(2) . . ?
C18 C13 Si2 125.1(3) . . ?
C13 C14 C15 122.0(4) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C16 C15 C14 120.3(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 119.2(4) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C16 C17 C18 120.4(4) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 121.7(4) . . ?
C13 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C20 C19 C24 116.1(3) . . ?
C20 C19 Si2 125.0(3) . . ?
C24 C19 Si2 118.8(2) . . ?
C19 C20 C21 122.2(4) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 H20 118.9 . . ?
C22 C21 C20 120.7(4) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.2(4) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C22 C23 C24 120.4(4) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 121.3(4) . . ?
C19 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C26 C25 C30 116.4(4) . . ?
C26 C25 Si3 120.8(3) . . ?
C30 C25 Si3 122.6(3) . . ?
C25 C26 C27 121.0(5) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 120.5(5) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 120.1(5) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 120.6(5) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 121.3(5) . . ?
C29 C30 H30 119.3 . . ?
C25 C30 H30 119.3 . . ?
C32 C31 C36 116.0(4) . . ?
C32 C31 Si3 126.9(3) . . ?
C36 C31 Si3 117.0(3) . . ?
C31 C32 C33 121.2(5) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C34 C33 C32 120.8(5) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C34 C35 120.2(5) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 119.2(5) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 H35 120.4 . . ?
C35 C36 C31 122.6(4) . . ?
C35 C36 H36 118.7 . . ?
C31 C36 H36 118.7 . . ?
C38 C37 C42 115.9(3) . . ?
C38 C37 Si4 121.8(2) . . ?
C42 C37 Si4 122.1(2) . . ?
C38 C37 Pd5 97.8(2) . . ?
C42 C37 Pd5 93.8(2) . . ?
Si4 C37 Pd5 74.74(10) . . ?
C39 C38 C37 122.2(4) . . ?
C39 C38 H38 118.9 . . ?
C37 C38 H38 118.9 . . ?
C40 C39 C38 120.1(4) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 120.0(4) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 119.8(4) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 H41 120.1 . . ?
C41 C42 C37 122.0(4) . . ?
C41 C42 H42 119.0 . . ?
C37 C42 H42 119.0 . . ?
C48 C43 C44 116.7(3) . . ?
C48 C43 Si4 121.2(2) . . ?
C44 C43 Si4 122.0(3) . . ?
C45 C44 C43 121.7(4) . . ?
C45 C44 H44 119.1 . . ?
C43 C44 H44 119.1 . . ?
C46 C45 C44 120.4(4) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C47 119.8(4) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C48 C47 C46 119.5(4) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 H47 120.3 . . ?
C47 C48 C43 121.9(4) . . ?
C47 C48 H48 119.0 . . ?
C43 C48 H48 119.0 . . ?
C50 C49 C54 116.3(3) . . ?
C50 C49 Si4 120.6(2) . . ?
C54 C49 Si4 123.0(2) . . ?
C51 C50 C49 121.8(3) . . ?
C51 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
C52 C51 C50 120.5(3) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 119.3(3) . . ?
C51 C52 H52 120.3 . . ?
C53 C52 H52 120.3 . . ?
C52 C53 C54 120.5(3) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C53 C54 C49 121.6(3) . . ?
C53 C54 H54 119.2 . . ?
C49 C54 H54 119.2 . . ?
C60 C55 C56 115.8(3) . . ?
C60 C55 Si5 120.5(2) . . ?
C56 C55 Si5 123.4(3) . . ?
C55 C56 C57 121.9(4) . . ?
C55 C56 H56 119.1 . . ?
C57 C56 H56 119.1 . . ?
C58 C57 C56 120.2(4) . . ?
C58 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C59 C58 C57 119.7(4) . . ?
C59 C58 H58 120.1 . . ?
C57 C58 H58 120.1 . . ?
C58 C59 C60 120.1(4) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C55 C60 C59 122.4(4) . . ?
C55 C60 H60 118.8 . . ?
C59 C60 H60 118.8 . . ?
N1 C61 Pd1 168.7(3) . . ?
N1 C62 C64 107.1(4) . . ?
N1 C62 C65 107.8(3) . . ?
C64 C62 C65 111.6(4) . . ?
N1 C62 C63 106.6(4) . . ?
C64 C62 C63 111.7(5) . . ?
C65 C62 C63 111.7(4) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C62 C65 H65A 109.5 . . ?
C62 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C62 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N2 C66 Pd1 168.3(3) . . ?
N2 C67 C70 108.0(3) . . ?
N2 C67 C69 106.4(3) . . ?
C70 C67 C69 112.4(4) . . ?
N2 C67 C68 107.2(3) . . ?
C70 C67 C68 110.6(4) . . ?
C69 C67 C68 111.9(4) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N3 C71 Pd3 173.5(3) . . ?
N3 C72 C75 108.5(4) . . ?
N3 C72 C74 109.2(3) . . ?
C75 C72 C74 112.5(5) . . ?
N3 C72 C73 106.8(4) . . ?
C75 C72 C73 109.2(5) . . ?
C74 C72 C73 110.5(5) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
N4 C76 Pd4 175.5(3) . . ?
N4 C77 C78 107.0(3) . . ?
N4 C77 C80 107.2(3) . . ?
C78 C77 C80 111.3(4) . . ?
N4 C77 C79 108.3(3) . . ?
C78 C77 C79 112.9(4) . . ?
C80 C77 C79 110.0(4) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N5 C81 Pd5 171.4(4) . . ?
C86 C82 N5 114.5(11) . . ?
C86 C82 C84 128.9(14) . . ?
N5 C82 C84 106.9(11) . . ?
C86 C82 C88 101.9(12) . . ?
N5 C82 C88 102.7(8) . . ?
C84 C82 C88 38.6(10) . . ?
C86 C82 C87 115.1(13) . . ?
N5 C82 C87 105.6(9) . . ?
C84 C82 C87 79.1(13) . . ?
C88 C82 C87 116.8(10) . . ?
C86 C82 C83 91.7(11) . . ?
N5 C82 C83 102.3(7) . . ?
C84 C82 C83 107.7(13) . . ?
C88 C82 C83 143.2(9) . . ?
C87 C82 C83 29.3(7) . . ?
C86 C82 C85 16.5(11) . . ?
N5 C82 C85 99.5(7) . . ?
C84 C82 C85 134.0(13) . . ?
C88 C82 C85 99.6(9) . . ?
C87 C82 C85 128.8(11) . . ?
C83 C82 C85 102.4(9) . . ?
C87 C83 C82 61.5(17) . . ?
C88 C84 C82 77.1(18) . . ?
C88 C84 C87 128(2) . . ?
C82 C84 C87 51.7(10) . . ?
C86 C85 C82 39(3) . . ?
C85 C86 C82 125(4) . . ?
C83 C87 C82 89(2) . . ?
C83 C87 C84 137(2) . . ?
C82 C87 C84 49.3(10) . . ?
C84 C88 C82 64.2(16) . . ?
N6 C89 Pd6 175.1(3) . . ?
N6 C90 C91 108.1(3) . . ?
N6 C90 C93 107.5(3) . . ?
C91 C90 C93 112.3(4) . . ?
N6 C90 C92 107.8(3) . . ?
C91 C90 C92 111.1(4) . . ?
C93 C90 C92 109.7(4) . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C90 C93 H93A 109.5 . . ?
C90 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C90 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N7 C94 Pd7 172.7(3) . . ?
N7 C95 C97 108.2(3) . . ?
N7 C95 C98 107.3(3) . . ?
C97 C95 C98 111.5(3) . . ?
N7 C95 C96 106.1(3) . . ?
C97 C95 C96 111.8(3) . . ?
C98 C95 C96 111.7(3) . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 C97 H97A 109.5 . . ?
C95 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C95 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C95 C98 H98A 109.5 . . ?
C95 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C95 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 C101 115.9(6) . 2_766 ?
C99 C100 C101 124.9(6) . . ?
C102 C101 C100 125.5(7) . . ?
C102 C101 C99 115.3(7) . 2_766 ?
C100 C101 C99 119.2(6) . 2_766 ?

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
C7 Si1 C1 C2 145.7(3) . . . . ?
Pd2 Si1 C1 C2 -39.4(3) . . . . ?
Pd6 Si1 C1 C2 -110.3(3) . . . . ?
Pd1 Si1 C1 C2 36.4(3) . . . . ?
C7 Si1 C1 C6 -38.5(3) . . . . ?
Pd2 Si1 C1 C6 136.4(2) . . . . ?
Pd6 Si1 C1 C6 65.5(3) . . . . ?
Pd1 Si1 C1 C6 -147.8(3) . . . . ?
C6 C1 C2 C3 -0.1(5) . . . . ?
Si1 C1 C2 C3 175.9(3) . . . . ?
C1 C2 C3 C4 0.8(7) . . . . ?
C2 C3 C4 C5 -0.8(8) . . . . ?
C3 C4 C5 C6 0.0(8) . . . . ?
C4 C5 C6 C1 0.8(7) . . . . ?
C2 C1 C6 C5 -0.7(5) . . . . ?
Si1 C1 C6 C5 -176.7(3) . . . . ?
C12 C7 C8 C9 0.2(5) . . . . ?
Si1 C7 C8 C9 179.7(3) . . . . ?
C7 C8 C9 C10 0.1(6) . . . . ?
C8 C9 C10 C11 0.2(6) . . . . ?
C9 C10 C11 C12 -0.8(6) . . . . ?
C10 C11 C12 C7 1.1(5) . . . . ?
C8 C7 C12 C11 -0.8(5) . . . . ?
Si1 C7 C12 C11 179.7(3) . . . . ?
C18 C13 C14 C15 2.1(5) . . . . ?
Si2 C13 C14 C15 179.7(3) . . . . ?
C13 C14 C15 C16 -1.8(6) . . . . ?
C14 C15 C16 C17 0.5(7) . . . . ?
C15 C16 C17 C18 0.3(7) . . . . ?
C14 C13 C18 C17 -1.2(5) . . . . ?
Si2 C13 C18 C17 -178.7(3) . . . . ?
C16 C17 C18 C13 0.1(6) . . . . ?
C13 Si2 C19 C20 -5.0(4) . . . . ?
Pd2 Si2 C19 C20 167.1(3) . . . . ?
Pd1 Si2 C19 C20 -113.0(3) . . . . ?
Pd3 Si2 C19 C20 101.5(3) . . . . ?
C13 Si2 C19 C24 179.2(3) . . . . ?
Pd2 Si2 C19 C24 -8.7(3) . . . . ?
Pd1 Si2 C19 C24 71.2(3) . . . . ?
Pd3 Si2 C19 C24 -74.3(3) . . . . ?
C24 C19 C20 C21 1.8(6) . . . . ?
Si2 C19 C20 C21 -174.1(4) . . . . ?
C19 C20 C21 C22 -0.3(8) . . . . ?
C20 C21 C22 C23 -1.3(9) . . . . ?
C21 C22 C23 C24 1.2(8) . . . . ?
C20 C19 C24 C23 -1.9(6) . . . . ?
Si2 C19 C24 C23 174.3(4) . . . . ?
C22 C23 C24 C19 0.5(8) . . . . ?
C31 Si3 C25 C26 -133.4(4) . . . . ?
Pd4 Si3 C25 C26 96.8(4) . . . . ?
Pd3 Si3 C25 C26 4.2(4) . . . . ?
C31 Si3 C25 C30 52.4(4) . . . . ?
Pd4 Si3 C25 C30 -77.3(3) . . . . ?
Pd3 Si3 C25 C30 -170.0(3) . . . . ?
C30 C25 C26 C27 -0.1(7) . . . . ?
Si3 C25 C26 C27 -174.6(4) . . . . ?
C25 C26 C27 C28 0.7(9) . . . . ?
C26 C27 C28 C29 -0.6(10) . . . . ?
C27 C28 C29 C30 0.0(9) . . . . ?
C28 C29 C30 C25 0.7(8) . . . . ?
C26 C25 C30 C29 -0.6(6) . . . . ?
Si3 C25 C30 C29 173.8(4) . . . . ?
C25 Si3 C31 C32 -15.1(4) . . . . ?
Pd4 Si3 C31 C32 117.2(4) . . . . ?
Pd3 Si3 C31 C32 -159.1(3) . . . . ?
C25 Si3 C31 C36 169.0(3) . . . . ?
Pd4 Si3 C31 C36 -58.6(3) . . . . ?
Pd3 Si3 C31 C36 25.0(3) . . . . ?
C36 C31 C32 C33 2.7(7) . . . . ?
Si3 C31 C32 C33 -173.2(4) . . . . ?
C31 C32 C33 C34 -2.9(8) . . . . ?
C32 C33 C34 C35 1.2(9) . . . . ?
C33 C34 C35 C36 0.4(9) . . . . ?
C34 C35 C36 C31 -0.4(8) . . . . ?
C32 C31 C36 C35 -1.1(7) . . . . ?
Si3 C31 C36 C35 175.2(4) . . . . ?
C42 C37 C38 C39 -2.9(5) . . . . ?
Si4 C37 C38 C39 -177.8(3) . . . . ?
Pd5 C37 C38 C39 -101.0(4) . . . . ?
C37 C38 C39 C40 1.2(6) . . . . ?
C38 C39 C40 C41 0.9(7) . . . . ?
C39 C40 C41 C42 -1.1(7) . . . . ?
C40 C41 C42 C37 -0.7(6) . . . . ?
C38 C37 C42 C41 2.6(5) . . . . ?
Si4 C37 C42 C41 177.5(3) . . . . ?
Pd5 C37 C42 C41 103.1(4) . . . . ?
C48 C43 C44 C45 0.8(5) . . . . ?
Si4 C43 C44 C45 -177.2(3) . . . . ?
C43 C44 C45 C46 -0.3(6) . . . . ?
C44 C45 C46 C47 -0.8(6) . . . . ?
C45 C46 C47 C48 1.2(6) . . . . ?
C46 C47 C48 C43 -0.7(6) . . . . ?
C44 C43 C48 C47 -0.3(5) . . . . ?
Si4 C43 C48 C47 177.7(3) . . . . ?
C54 C49 C50 C51 -1.8(5) . . . . ?
Si4 C49 C50 C51 178.3(3) . . . . ?
C49 C50 C51 C52 1.0(5) . . . . ?
C50 C51 C52 C53 0.6(5) . . . . ?
C51 C52 C53 C54 -1.2(6) . . . . ?
C52 C53 C54 C49 0.3(5) . . . . ?
C50 C49 C54 C53 1.1(5) . . . . ?
Si4 C49 C54 C53 -179.0(3) . . . . ?
Pd2 Si5 C55 C60 -49.9(3) . . . . ?
Pd5 Si5 C55 C60 95.5(3) . . . . ?
Pd4 Si5 C55 C60 170.1(3) . . . . ?
Pd6 Si5 C55 C60 21.4(3) . . . . ?
Pd3 Si5 C55 C60 -120.6(3) . . . . ?
Pd2 Si5 C55 C56 123.7(3) . . . . ?
Pd5 Si5 C55 C56 -90.9(3) . . . . ?
Pd4 Si5 C55 C56 -16.3(3) . . . . ?
Pd6 Si5 C55 C56 -165.0(3) . . . . ?
Pd3 Si5 C55 C56 53.0(3) . . . . ?
C60 C55 C56 C57 0.9(6) . . . . ?
Si5 C55 C56 C57 -173.0(4) . . . . ?
C55 C56 C57 C58 -1.2(8) . . . . ?
C56 C57 C58 C59 1.5(9) . . . . ?
C57 C58 C59 C60 -1.4(8) . . . . ?
C56 C55 C60 C59 -0.8(6) . . . . ?
Si5 C55 C60 C59 173.2(3) . . . . ?
C58 C59 C60 C55 1.1(7) . . . . ?
C86 C82 C83 C87 144(2) . . . . ?
N5 C82 C83 C87 -100.1(19) . . . . ?
C84 C82 C83 C87 12(2) . . . . ?
C88 C82 C83 C87 32(2) . . . . ?
C85 C82 C83 C87 157.2(18) . . . . ?
C86 C82 C84 C88 54(2) . . . . ?
N5 C82 C84 C88 -89.2(16) . . . . ?
C87 C82 C84 C88 167.6(18) . . . . ?
C83 C82 C84 C88 161.4(14) . . . . ?
C85 C82 C84 C88 33(3) . . . . ?
C86 C82 C84 C87 -113.5(18) . . . . ?
N5 C82 C84 C87 103.2(11) . . . . ?
C88 C82 C84 C87 -167.6(18) . . . . ?
C83 C82 C84 C87 -6.1(10) . . . . ?
C85 C82 C84 C87 -134.5(17) . . . . ?
N5 C82 C85 C86 -156(4) . . . . ?
C84 C82 C85 C86 79(5) . . . . ?
C88 C82 C85 C86 99(4) . . . . ?
C87 C82 C85 C86 -37(5) . . . . ?
C83 C82 C85 C86 -51(4) . . . . ?
N5 C82 C86 C85 26(5) . . . . ?
C84 C82 C86 C85 -115(4) . . . . ?
C88 C82 C86 C85 -84(4) . . . . ?
C87 C82 C86 C85 149(4) . . . . ?
C83 C82 C86 C85 131(4) . . . . ?
C82 C83 C87 C84 -13(2) . . . . ?
C86 C82 C87 C83 -40(2) . . . . ?
N5 C82 C87 C83 87.3(18) . . . . ?
C84 C82 C87 C83 -168(2) . . . . ?
C88 C82 C87 C83 -159.3(16) . . . . ?
C85 C82 C87 C83 -29(2) . . . . ?
C86 C82 C87 C84 128.0(15) . . . . ?
N5 C82 C87 C84 -104.7(12) . . . . ?
C88 C82 C87 C84 8.6(12) . . . . ?
C83 C82 C87 C84 168(2) . . . . ?
C85 C82 C87 C84 138.8(14) . . . . ?
C87 C84 C88 C82 12.3(18) . . . . ?
C86 C82 C88 C84 -139.9(19) . . . . ?
N5 C82 C88 C84 101.3(18) . . . . ?
C87 C82 C88 C84 -14(2) . . . . ?
C83 C82 C88 C84 -30(2) . . . . ?
C85 C82 C88 C84 -156.6(18) . . . . ?
C94 N7 C95 C97 173.7(17) . . . . ?
C94 N7 C95 C98 53.2(19) . . . . ?
C94 N7 C95 C96 -66.2(19) . . . . ?
C101 C99 C100 C101 0.3(11) 2_766 . . . ?
C99 C100 C101 C102 177.7(8) . . . . ?
C99 C100 C101 C99 -0.3(12) . . . 2_766 ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.







#==============================================================================
#     End of CIF
#==============================================================================
