# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_Pd6Si2Cl2(CNMes)8
_database_code_depnum_ccdc_archive 'CCDC 2375542'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2024-11-30 deposited with the CCDC.	2025-01-16 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C109 H108 Cl2 N8 Pd6 Si2'
_chemical_formula_moiety         'C109 H108 Cl2 N8 Pd6 Si2'
_chemical_formula_weight         2295.58
_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                   16.1964(8)
_cell_length_b                   18.6192(11)
_cell_length_c                   18.8234(11)
_cell_angle_alpha                83.984(5)
_cell_angle_beta                 80.702(4)
_cell_angle_gamma                73.139(5)
_cell_volume                     5351.0(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8370
_cell_measurement_theta_min      1.99
_cell_measurement_theta_max      31.28
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.030
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2312.00
_exptl_absorpt_coefficient_mu    1.108
_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  0.469
_exptl_absorpt_correction_T_max  0.967

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

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type  'Rigaku R-AXIS IV'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            51779
_diffrn_reflns_av_unetI/netI     0.3739
_diffrn_reflns_av_R_equivalents  0.1439
_diffrn_reflns_theta_max         31.136
_diffrn_reflns_theta_min         1.537
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.839
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.839
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             28959
_reflns_number_gt                10018
_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          0.2740
_refine_ls_R_factor_gt           0.0869
_refine_ls_wR_factor_ref         0.2086
_refine_ls_wR_factor_gt          0.1433
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         28959
_refine_ls_number_parameters     1163
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0388P)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          0.002
_refine_diff_density_max         1.25
_refine_diff_density_min         -0.86
_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)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
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)
;

#==============================================================================
# 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 0.18327(5) 0.31364(5) 0.71547(4) 0.0202(2) Uani 1 1 d . . . . .
Pd2 Pd 0.24076(5) 0.17007(5) 0.78140(4) 0.0195(2) Uani 1 1 d . . . . .
Pd3 Pd 0.34440(5) 0.22766(5) 0.66317(4) 0.0217(2) Uani 1 1 d . . . . .
Pd4 Pd 0.19751(5) 0.18078(5) 0.64531(4) 0.0219(2) Uani 1 1 d . . . . .
Pd5 Pd 0.23164(5) 0.28903(5) 0.85812(4) 0.0211(2) Uani 1 1 d . . . . .
Pd6 Pd 0.07179(5) 0.27131(5) 0.82631(4) 0.0217(2) Uani 1 1 d . . . . .
Cl1 Cl 0.33428(18) 0.16244(19) 0.55402(15) 0.0370(8) Uani 1 1 d . . . . .
Cl2 Cl 0.08866(18) 0.31848(18) 0.94334(15) 0.0342(8) Uani 1 1 d . . . . .
Si1 Si 0.07253(19) 0.21247(18) 0.72515(16) 0.0221(7) Uani 1 1 d . . . . .
Si2 Si 0.35130(18) 0.27226(17) 0.77054(16) 0.0199(7) Uani 1 1 d . . . . .
N1 N 0.0374(6) 0.4525(5) 0.7752(5) 0.028(2) Uani 1 1 d . . . . .
N2 N 0.2512(6) 0.3752(6) 0.5636(5) 0.036(3) Uani 1 1 d . . . . .
N3 N 0.2547(6) 0.1300(5) 0.9446(5) 0.031(2) Uani 1 1 d . . . . .
N4 N 0.3175(6) 0.0163(6) 0.7114(5) 0.030(2) Uani 1 1 d . . . . .
N5 N 0.5423(6) 0.1524(5) 0.6301(4) 0.027(2) Uani 1 1 d . . . . .
N6 N 0.1078(6) 0.1887(6) 0.5129(5) 0.031(3) Uani 1 1 d . . . . .
N7 N 0.2688(7) 0.4144(6) 0.9307(5) 0.037(3) Uani 1 1 d . . . . .
N8 N -0.0789(6) 0.2161(5) 0.9148(4) 0.026(2) Uani 1 1 d . . . . .
C1 C 0.0852(7) 0.3965(7) 0.7558(6) 0.028(3) Uani 1 1 d . . . . .
C2 C 0.2364(7) 0.3488(7) 0.6221(6) 0.030(3) Uani 1 1 d . . . . .
C3 C 0.2521(6) 0.1507(6) 0.8835(6) 0.025(3) Uani 1 1 d . . . . .
C4 C 0.2828(7) 0.0743(7) 0.7337(6) 0.026(3) Uani 1 1 d . . . . .
C5 C 0.4710(7) 0.1871(6) 0.6452(6) 0.026(3) Uani 1 1 d . . . . .
C6 C 0.1359(7) 0.1833(6) 0.5651(6) 0.027(3) Uani 1 1 d . . . . .
C7 C 0.2640(8) 0.3646(8) 0.9024(7) 0.039(3) Uani 1 1 d . . . . .
C8 C -0.0266(7) 0.2373(6) 0.8774(6) 0.025(3) Uani 1 1 d . . . . .
C9 C -0.0226(8) 0.5151(7) 0.8042(6) 0.033(3) Uani 1 1 d . . . . .
C10 C 0.0065(8) 0.5700(8) 0.8290(6) 0.038(3) Uani 1 1 d . . . . .
C11 C -0.0547(8) 0.6317(6) 0.8598(6) 0.036(3) Uani 1 1 d . . . . .
H11 H -0.035818 0.667602 0.878344 0.043 Uiso 1 1 calc R U . . .
C12 C -0.1426(8) 0.6408(7) 0.8635(6) 0.035(3) Uani 1 1 d . . . . .
C13 C -0.1691(8) 0.5843(8) 0.8370(6) 0.041(4) Uani 1 1 d . . . . .
H13 H -0.228368 0.590030 0.838943 0.050 Uiso 1 1 calc R U . . .
C14 C -0.1101(8) 0.5199(7) 0.8077(6) 0.038(3) Uani 1 1 d . . . . .
C15 C 0.1018(8) 0.5626(7) 0.8240(7) 0.046(4) Uani 1 1 d . . . . .
H15A H 0.110612 0.594704 0.857157 0.055 Uiso 1 1 calc R U . . .
H15B H 0.123733 0.577055 0.775810 0.055 Uiso 1 1 calc R U . . .
H15C H 0.132282 0.511391 0.835946 0.055 Uiso 1 1 calc R U . . .
C16 C -0.2091(7) 0.7071(7) 0.8976(7) 0.048(4) Uani 1 1 d . . . . .
H16A H -0.266572 0.703870 0.894935 0.058 Uiso 1 1 calc R U . . .
H16B H -0.201350 0.752784 0.872407 0.058 Uiso 1 1 calc R U . . .
H16C H -0.201673 0.706990 0.947198 0.058 Uiso 1 1 calc R U . . .
C17 C -0.1381(8) 0.4586(7) 0.7822(6) 0.042(3) Uani 1 1 d . . . . .
H17A H -0.102959 0.410752 0.798811 0.050 Uiso 1 1 calc R U . . .
H17B H -0.131276 0.462010 0.730425 0.050 Uiso 1 1 calc R U . . .
H17C H -0.198163 0.463684 0.800866 0.050 Uiso 1 1 calc R U . . .
C18 C 0.2753(7) 0.3982(7) 0.4932(6) 0.029(3) Uani 1 1 d . . . . .
C19 C 0.2254(8) 0.3972(7) 0.4407(7) 0.036(3) Uani 1 1 d . . . . .
C20 C 0.2544(8) 0.4157(7) 0.3711(7) 0.039(3) Uani 1 1 d . . . . .
H20 H 0.221131 0.415123 0.335354 0.047 Uiso 1 1 calc R U . . .
C21 C 0.3313(8) 0.4354(6) 0.3516(6) 0.031(3) Uani 1 1 d . . . . .
C22 C 0.3785(8) 0.4364(7) 0.4042(6) 0.034(3) Uani 1 1 d . . . . .
H22 H 0.429932 0.450388 0.392052 0.041 Uiso 1 1 calc R U . . .
C23 C 0.3524(8) 0.4172(7) 0.4764(6) 0.031(3) Uani 1 1 d . . . . .
C24 C 0.1416(8) 0.3762(8) 0.4613(7) 0.054(4) Uani 1 1 d . . . . .
H24A H 0.119548 0.370459 0.418456 0.065 Uiso 1 1 calc R U . . .
H24B H 0.099824 0.414962 0.488328 0.065 Uiso 1 1 calc R U . . .
H24C H 0.151921 0.329632 0.490174 0.065 Uiso 1 1 calc R U . . .
C25 C 0.3633(7) 0.4559(7) 0.2743(6) 0.039(3) Uani 1 1 d . . . . .
H25A H 0.425809 0.443089 0.267293 0.046 Uiso 1 1 calc R U . . .
H25B H 0.340075 0.508866 0.263952 0.046 Uiso 1 1 calc R U . . .
H25C H 0.344482 0.428599 0.242471 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4074(7) 0.4153(8) 0.5356(6) 0.047(4) Uani 1 1 d . . . . .
H26A H 0.458036 0.431124 0.515224 0.056 Uiso 1 1 calc R U . . .
H26B H 0.425162 0.364960 0.556813 0.056 Uiso 1 1 calc R U . . .
H26C H 0.373665 0.448449 0.571983 0.056 Uiso 1 1 calc R U . . .
C27 C 0.2536(8) 0.1089(6) 1.0201(6) 0.030(3) Uani 1 1 d . . . . .
C28 C 0.3183(7) 0.1162(6) 1.0554(6) 0.029(3) Uani 1 1 d . . . . .
C29 C 0.3139(7) 0.0965(6) 1.1274(6) 0.029(3) Uani 1 1 d . . . . .
H29 H 0.356146 0.102252 1.152738 0.035 Uiso 1 1 calc R U . . .
C30 C 0.2479(8) 0.0682(7) 1.1633(6) 0.033(3) Uani 1 1 d . . . . .
C31 C 0.1820(8) 0.0632(7) 1.1250(7) 0.041(3) Uani 1 1 d . . . . .
H31 H 0.136678 0.045080 1.149459 0.049 Uiso 1 1 calc R U . . .
C32 C 0.1824(8) 0.0838(7) 1.0539(6) 0.033(3) Uani 1 1 d . . . . .
C33 C 0.3897(7) 0.1472(7) 1.0147(6) 0.040(3) Uani 1 1 d . . . . .
H33A H 0.421262 0.114815 0.977003 0.049 Uiso 1 1 calc R U . . .
H33B H 0.428624 0.149924 1.047066 0.049 Uiso 1 1 calc R U . . .
H33C H 0.364649 0.196572 0.993968 0.049 Uiso 1 1 calc R U . . .
C34 C 0.2476(8) 0.0409(7) 1.2418(6) 0.047(4) Uani 1 1 d . . . . .
H34A H 0.260090 0.077129 1.268064 0.057 Uiso 1 1 calc R U . . .
H34B H 0.291070 -0.006360 1.245927 0.057 Uiso 1 1 calc R U . . .
H34C H 0.191315 0.034736 1.261255 0.057 Uiso 1 1 calc R U . . .
C35 C 0.1126(7) 0.0800(7) 1.0125(6) 0.039(3) Uani 1 1 d . . . . .
H35A H 0.064820 0.069960 1.045319 0.047 Uiso 1 1 calc R U . . .
H35B H 0.135510 0.040414 0.979739 0.047 Uiso 1 1 calc R U . . .
H35C H 0.092755 0.127022 0.985706 0.047 Uiso 1 1 calc R U . . .
C36 C 0.3596(8) -0.0497(6) 0.6776(6) 0.029(3) Uani 1 1 d . . . . .
C37 C 0.3132(8) -0.0854(7) 0.6425(6) 0.037(3) Uani 1 1 d . . . . .
C38 C 0.3581(9) -0.1494(7) 0.6073(6) 0.041(4) Uani 1 1 d . . . . .
H38 H 0.327417 -0.174132 0.585514 0.050 Uiso 1 1 calc R U . . .
C39 C 0.4469(9) -0.1778(7) 0.6034(7) 0.046(4) Uani 1 1 d . . . . .
C40 C 0.4908(8) -0.1426(7) 0.6391(6) 0.041(3) Uani 1 1 d . . . . .
H40 H 0.550801 -0.161814 0.637223 0.049 Uiso 1 1 calc R U . . .
C41 C 0.4484(8) -0.0792(6) 0.6778(6) 0.027(3) Uani 1 1 d . . . . .
C42 C 0.2172(7) -0.0518(7) 0.6470(6) 0.044(4) Uani 1 1 d . . . . .
H42A H 0.190360 -0.058133 0.695695 0.052 Uiso 1 1 calc R U . . .
H42B H 0.194474 -0.076555 0.615604 0.052 Uiso 1 1 calc R U . . .
H42C H 0.204905 0.000768 0.632539 0.052 Uiso 1 1 calc R U . . .
C43 C 0.4966(9) -0.2464(7) 0.5651(7) 0.062(4) Uani 1 1 d . . . . .
H43A H 0.487408 -0.238944 0.515422 0.074 Uiso 1 1 calc R U . . .
H43B H 0.476984 -0.288484 0.587144 0.074 Uiso 1 1 calc R U . . .
H43C H 0.557529 -0.256002 0.567984 0.074 Uiso 1 1 calc R U . . .
C44 C 0.4989(8) -0.0421(8) 0.7163(7) 0.054(4) Uani 1 1 d . . . . .
H44A H 0.497754 0.006633 0.693121 0.065 Uiso 1 1 calc R U . . .
H44B H 0.558172 -0.072584 0.714303 0.065 Uiso 1 1 calc R U . . .
H44C H 0.472904 -0.036685 0.765677 0.065 Uiso 1 1 calc R U . . .
C45 C 0.6300(7) 0.1098(6) 0.6075(6) 0.021(3) Uani 1 1 d . . . . .
C46 C 0.6434(7) 0.0531(7) 0.5619(6) 0.027(3) Uani 1 1 d . . . . .
C47 C 0.7305(7) 0.0154(7) 0.5402(6) 0.040(3) Uani 1 1 d . . . . .
H47 H 0.743035 -0.023647 0.509676 0.047 Uiso 1 1 calc R U . . .
C48 C 0.7988(7) 0.0338(7) 0.5623(6) 0.029(3) Uani 1 1 d . . . . .
C49 C 0.7796(7) 0.0903(7) 0.6105(6) 0.030(3) Uani 1 1 d . . . . .
H49 H 0.825222 0.101960 0.626584 0.035 Uiso 1 1 calc R U . . .
C50 C 0.6955(6) 0.1294(6) 0.6349(5) 0.017(2) Uani 1 1 d . . . . .
C51 C 0.5706(7) 0.0318(7) 0.5365(6) 0.040(3) Uani 1 1 d . . . . .
H51A H 0.557770 0.059181 0.491589 0.048 Uiso 1 1 calc R U . . .
H51B H 0.519604 0.043848 0.571876 0.048 Uiso 1 1 calc R U . . .
H51C H 0.587906 -0.021164 0.529792 0.048 Uiso 1 1 calc R U . . .
C52 C 0.8922(7) -0.0068(7) 0.5346(7) 0.055(4) Uani 1 1 d . . . . .
H52A H 0.916054 -0.044156 0.570528 0.066 Uiso 1 1 calc R U . . .
H52B H 0.925948 0.028668 0.524204 0.066 Uiso 1 1 calc R U . . .
H52C H 0.893656 -0.030650 0.491380 0.066 Uiso 1 1 calc R U . . .
C53 C 0.6748(7) 0.1897(7) 0.6870(6) 0.035(3) Uani 1 1 d . . . . .
H53A H 0.650879 0.237654 0.662992 0.043 Uiso 1 1 calc R U . . .
H53B H 0.727073 0.189986 0.704669 0.043 Uiso 1 1 calc R U . . .
H53C H 0.633174 0.180254 0.726624 0.043 Uiso 1 1 calc R U . . .
C54 C 0.0754(7) 0.1979(6) 0.4462(6) 0.029(3) Uani 1 1 d . . . . .
C55 C -0.0121(7) 0.2005(7) 0.4463(6) 0.030(3) Uani 1 1 d . . . . .
C56 C -0.0433(7) 0.2075(6) 0.3796(6) 0.032(3) Uani 1 1 d . . . . .
H56 H -0.100513 0.207473 0.378524 0.038 Uiso 1 1 calc R U . . .
C57 C 0.0095(8) 0.2144(7) 0.3166(6) 0.030(3) Uani 1 1 d . . . . .
C58 C 0.0949(8) 0.2124(7) 0.3185(6) 0.037(3) Uani 1 1 d . . . . .
H58 H 0.129663 0.217483 0.274870 0.045 Uiso 1 1 calc R U . . .
C59 C 0.1323(8) 0.2033(7) 0.3819(6) 0.032(3) Uani 1 1 d . . . . .
C60 C -0.0697(7) 0.1928(6) 0.5165(6) 0.035(3) Uani 1 1 d . . . . .
H60A H -0.071131 0.231514 0.546960 0.042 Uiso 1 1 calc R U . . .
H60B H -0.047088 0.144447 0.540115 0.042 Uiso 1 1 calc R U . . .
H60C H -0.127624 0.197695 0.506938 0.042 Uiso 1 1 calc R U . . .
C61 C -0.0242(9) 0.2243(7) 0.2468(6) 0.053(4) Uani 1 1 d . . . . .
H61A H 0.020686 0.198309 0.211019 0.064 Uiso 1 1 calc R U . . .
H61B H -0.041895 0.276886 0.232153 0.064 Uiso 1 1 calc R U . . .
H61C H -0.073247 0.204223 0.251723 0.064 Uiso 1 1 calc R U . . .
C62 C 0.2253(7) 0.1984(8) 0.3829(6) 0.050(4) Uani 1 1 d . . . . .
H62A H 0.248475 0.219082 0.337859 0.060 Uiso 1 1 calc R U . . .
H62B H 0.257653 0.146677 0.390037 0.060 Uiso 1 1 calc R U . . .
H62C H 0.229995 0.226182 0.421558 0.060 Uiso 1 1 calc R U . . .
C63 C 0.2732(8) 0.4786(8) 0.9647(7) 0.040(3) Uani 1 1 d . . . . .
C64 C 0.3543(9) 0.4892(9) 0.9596(8) 0.064(5) Uani 1 1 d . . . . .
C65 C 0.3598(10) 0.5489(9) 0.9992(10) 0.093(7) Uani 1 1 d . . . . .
H65 H 0.413686 0.557699 0.998154 0.111 Uiso 1 1 calc R U . . .
C66 C 0.2882(11) 0.5933(10) 1.0386(9) 0.074(5) Uani 1 1 d . . . . .
C67 C 0.2085(8) 0.5801(7) 1.0381(7) 0.046(4) Uani 1 1 d . . . . .
H67 H 0.159609 0.610467 1.064525 0.055 Uiso 1 1 calc R U . . .
C68 C 0.1973(7) 0.5237(7) 1.0001(7) 0.036(3) Uani 1 1 d . . . . .
C69 C 0.4355(9) 0.4396(9) 0.9151(9) 0.085(6) Uani 1 1 d . . . . .
H69A H 0.420632 0.431065 0.869901 0.102 Uiso 1 1 calc R U . . .
H69B H 0.455539 0.392240 0.941385 0.102 Uiso 1 1 calc R U . . .
H69C H 0.480708 0.464486 0.906247 0.102 Uiso 1 1 calc R U . . .
C70 C 0.2962(10) 0.6548(8) 1.0805(9) 0.095(6) Uani 1 1 d . . . . .
H70A H 0.248867 0.665517 1.119319 0.114 Uiso 1 1 calc R U . . .
H70B H 0.294367 0.699172 1.049210 0.114 Uiso 1 1 calc R U . . .
H70C H 0.350454 0.638839 1.099808 0.114 Uiso 1 1 calc R U . . .
C71 C 0.1113(7) 0.5115(7) 1.0029(6) 0.042(3) Uani 1 1 d . . . . .
H71A H 0.117597 0.465114 0.981796 0.051 Uiso 1 1 calc R U . . .
H71B H 0.075192 0.552288 0.976554 0.051 Uiso 1 1 calc R U . . .
H71C H 0.084747 0.509102 1.052211 0.051 Uiso 1 1 calc R U . . .
C72 C -0.1338(7) 0.1854(6) 0.9647(6) 0.022(3) Uani 1 1 d . . . . .
C73 C -0.1377(7) 0.1949(7) 1.0368(6) 0.029(3) Uani 1 1 d . . . . .
C74 C -0.1928(8) 0.1620(7) 1.0863(6) 0.038(3) Uani 1 1 d . . . . .
H74 H -0.196636 0.169113 1.135072 0.046 Uiso 1 1 calc R U . . .
C75 C -0.2405(7) 0.1205(7) 1.0670(6) 0.029(3) Uani 1 1 d . . . . .
C76 C -0.2355(7) 0.1115(6) 0.9930(6) 0.032(3) Uani 1 1 d . . . . .
H76 H -0.269234 0.084620 0.978186 0.038 Uiso 1 1 calc R U . . .
C77 C -0.1817(7) 0.1416(6) 0.9421(6) 0.028(3) Uani 1 1 d . . . . .
C78 C -0.0869(8) 0.2421(7) 1.0612(6) 0.040(3) Uani 1 1 d . . . . .
H78A H -0.114253 0.294344 1.050417 0.047 Uiso 1 1 calc R U . . .
H78B H -0.028400 0.228760 1.036503 0.047 Uiso 1 1 calc R U . . .
H78C H -0.085803 0.233143 1.112283 0.047 Uiso 1 1 calc R U . . .
C79 C -0.2971(9) 0.0828(8) 1.1203(6) 0.058(4) Uani 1 1 d . . . . .
H79A H -0.354480 0.095657 1.106724 0.069 Uiso 1 1 calc R U . . .
H79B H -0.300476 0.099326 1.167597 0.069 Uiso 1 1 calc R U . . .
H79C H -0.272385 0.029228 1.120683 0.069 Uiso 1 1 calc R U . . .
C80 C -0.1798(7) 0.1349(6) 0.8635(5) 0.029(3) Uani 1 1 d . . . . .
H80A H -0.202448 0.183824 0.840839 0.035 Uiso 1 1 calc R U . . .
H80B H -0.214804 0.102985 0.857093 0.035 Uiso 1 1 calc R U . . .
H80C H -0.120861 0.113586 0.841962 0.035 Uiso 1 1 calc R U . . .
C81 C -0.0213(7) 0.2766(6) 0.6815(5) 0.021(2) Uani 1 1 d . . . . .
C82 C -0.0118(7) 0.3322(6) 0.6282(6) 0.026(3) Uani 1 1 d . . . . .
H82 H 0.043899 0.336131 0.610527 0.031 Uiso 1 1 calc R U . . .
C83 C -0.0822(7) 0.3820(6) 0.6004(6) 0.028(3) Uani 1 1 d . . . . .
H83 H -0.073722 0.418999 0.565047 0.033 Uiso 1 1 calc R U . . .
C84 C -0.1654(7) 0.3765(7) 0.6257(6) 0.036(3) Uani 1 1 d . . . . .
H84 H -0.212983 0.409451 0.606804 0.043 Uiso 1 1 calc R U . . .
C85 C -0.1779(7) 0.3226(7) 0.6782(6) 0.030(3) Uani 1 1 d . . . . .
H85 H -0.233827 0.319213 0.695506 0.036 Uiso 1 1 calc R U . . .
C86 C -0.1075(7) 0.2736(7) 0.7053(6) 0.030(3) Uani 1 1 d . . . . .
H86 H -0.116865 0.236990 0.740731 0.035 Uiso 1 1 calc R U . . .
C87 C 0.0459(7) 0.1193(6) 0.7503(6) 0.027(3) Uani 1 1 d . . . . .
C88 C 0.0084(7) 0.0875(7) 0.7048(6) 0.028(3) Uani 1 1 d . . . . .
H88 H -0.007061 0.113537 0.661823 0.034 Uiso 1 1 calc R U . . .
C89 C -0.0062(8) 0.0175(7) 0.7223(7) 0.044(4) Uani 1 1 d . . . . .
H89 H -0.034173 -0.001912 0.692771 0.053 Uiso 1 1 calc R U . . .
C90 C 0.0215(7) -0.0234(7) 0.7846(7) 0.039(3) Uani 1 1 d . . . . .
H90 H 0.014657 -0.071490 0.794875 0.046 Uiso 1 1 calc R U . . .
C91 C 0.0582(7) 0.0055(7) 0.8309(7) 0.036(3) Uani 1 1 d . . . . .
H91 H 0.074566 -0.021615 0.873161 0.043 Uiso 1 1 calc R U . . .
C92 C 0.0710(7) 0.0771(6) 0.8134(6) 0.028(3) Uani 1 1 d . . . . .
H92 H 0.096741 0.097048 0.844386 0.033 Uiso 1 1 calc R U . . .
C93 C 0.3812(7) 0.3635(6) 0.7455(5) 0.027(3) Uani 1 1 d . . . . .
C94 C 0.4674(7) 0.3648(6) 0.7203(6) 0.031(3) Uani 1 1 d . . . . .
H94 H 0.511102 0.319527 0.717227 0.037 Uiso 1 1 calc R U . . .
C95 C 0.4896(7) 0.4316(6) 0.6997(6) 0.026(3) Uani 1 1 d . . . . .
H95 H 0.546942 0.430044 0.681415 0.032 Uiso 1 1 calc R U . . .
C96 C 0.4278(8) 0.4996(7) 0.7062(6) 0.039(3) Uani 1 1 d . . . . .
H96 H 0.443123 0.544310 0.695608 0.047 Uiso 1 1 calc R U . . .
C97 C 0.3413(8) 0.5001(6) 0.7290(6) 0.036(3) Uani 1 1 d . . . . .
H97 H 0.297776 0.545485 0.731141 0.043 Uiso 1 1 calc R U . . .
C98 C 0.3199(7) 0.4327(7) 0.7485(6) 0.028(3) Uani 1 1 d . . . . .
H98 H 0.261925 0.434411 0.764150 0.034 Uiso 1 1 calc R U . . .
C99 C 0.4442(6) 0.2084(6) 0.8144(5) 0.020(3) Uani 1 1 d . . . . .
C100 C 0.4668(7) 0.1303(6) 0.8106(6) 0.026(3) Uani 1 1 d . . . . .
H100 H 0.434971 0.110114 0.785330 0.031 Uiso 1 1 calc R U . . .
C101 C 0.5345(7) 0.0819(7) 0.8429(6) 0.028(3) Uani 1 1 d . . . . .
H101 H 0.546519 0.030398 0.838706 0.033 Uiso 1 1 calc R U . . .
C102 C 0.5855(7) 0.1083(7) 0.8818(6) 0.030(3) Uani 1 1 d . . . . .
H102 H 0.631182 0.075650 0.903227 0.036 Uiso 1 1 calc R U . . .
C103 C 0.5641(7) 0.1868(6) 0.8868(6) 0.026(3) Uani 1 1 d . . . . .
H103 H 0.596254 0.206635 0.912179 0.031 Uiso 1 1 calc R U . . .
C104 C 0.4945(7) 0.2357(6) 0.8539(6) 0.026(3) Uani 1 1 d . . . . .
H104 H 0.481478 0.287154 0.858391 0.031 Uiso 1 1 calc R U . . .
C105 C -0.0794(11) 0.4235(9) 0.3853(9) 0.005(4) Uiso 0.5 1 d . . P . .
C106 C -0.2109(11) 0.3864(10) 0.4470(9) 0.008(4) Uiso 0.5 1 d . . P . .
C107 C -0.2899(13) 0.3670(12) 0.4532(10) 0.021(5) Uiso 0.5 1 d . . P . .
C108 C -0.3288(13) 0.3358(12) 0.5177(11) 0.023(5) Uiso 0.5 1 d . . P . .
C109 C -0.1627(14) 0.4142(13) 0.3851(11) 0.029(6) Uiso 0.5 1 d . . P . .
C110 C 0.456(2) 0.2668(19) 0.1650(16) 0.077(10) Uiso 0.5 1 d . . P . .
C111 C 0.5250(17) 0.3007(15) 0.1486(13) 0.048(7) Uiso 0.5 1 d . . P . .
C112 C 0.5798(13) 0.2867(12) 0.2067(11) 0.023(5) Uiso 0.5 1 d . . P . .
C113 C 0.6547(13) 0.3185(12) 0.1926(11) 0.023(5) Uiso 0.5 1 d . . P . .
C114 C 0.7116(13) 0.2933(11) 0.2482(10) 0.019(5) 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    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_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 C2 1.963(11) . ?
Pd1 C1 1.978(11) . ?
Pd1 Pd3 2.7238(12) . ?
Pd1 Pd6 2.7381(11) . ?
Pd1 Pd2 2.7906(12) . ?
Pd1 Pd4 2.8589(13) . ?
Pd1 Pd5 2.8717(12) . ?
Pd1 Si1 2.929(3) . ?
Pd1 Si2 2.933(3) . ?
Pd2 C3 1.946(12) . ?
Pd2 C4 1.972(12) . ?
Pd2 Pd5 2.7249(13) . ?
Pd2 Pd4 2.7358(12) . ?
Pd2 Pd3 2.8736(12) . ?
Pd2 Pd6 2.8899(12) . ?
Pd2 Si2 2.940(3) . ?
Pd2 Si1 2.946(3) . ?
Pd3 C5 1.955(11) . ?
Pd3 Si2 2.295(3) . ?
Pd3 Cl1 2.543(3) . ?
Pd3 C2 2.555(12) . ?
Pd3 Pd4 2.8390(12) . ?
Pd4 C6 1.929(12) . ?
Pd4 Si1 2.283(3) . ?
Pd4 Cl1 2.536(3) . ?
Pd5 C7 1.941(13) . ?
Pd5 Si2 2.301(3) . ?
Pd5 C3 2.505(12) . ?
Pd5 Cl2 2.546(3) . ?
Pd5 Pd6 2.8648(12) . ?
Pd6 C8 1.956(11) . ?
Pd6 Si1 2.291(3) . ?
Pd6 Cl2 2.537(3) . ?
Pd6 C1 2.605(12) . ?
Si1 C81 1.885(11) . ?
Si1 C87 1.902(12) . ?
Si2 C99 1.875(11) . ?
Si2 C93 1.891(12) . ?
N1 C1 1.159(13) . ?
N1 C9 1.380(13) . ?
N2 C2 1.176(13) . ?
N2 C18 1.379(13) . ?
N3 C3 1.178(13) . ?
N3 C27 1.432(14) . ?
N4 C4 1.150(13) . ?
N4 C36 1.385(13) . ?
N5 C5 1.154(12) . ?
N5 C45 1.431(12) . ?
N6 C6 1.131(13) . ?
N6 C54 1.414(14) . ?
N7 C7 1.142(14) . ?
N7 C63 1.438(14) . ?
N8 C8 1.145(12) . ?
N8 C72 1.383(12) . ?
C9 C14 1.384(16) . ?
C9 C10 1.392(15) . ?
C10 C11 1.390(15) . ?
C10 C15 1.498(15) . ?
C11 C12 1.376(15) . ?
C11 H11 0.9300 . ?
C12 C13 1.406(16) . ?
C12 C16 1.506(14) . ?
C13 C14 1.399(15) . ?
C13 H13 0.9300 . ?
C14 C17 1.492(15) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C23 1.374(15) . ?
C18 C19 1.379(16) . ?
C19 C20 1.362(15) . ?
C19 C24 1.500(15) . ?
C20 C21 1.381(15) . ?
C20 H20 0.9300 . ?
C21 C22 1.351(15) . ?
C21 C25 1.513(14) . ?
C22 C23 1.397(14) . ?
C22 H22 0.9300 . ?
C23 C26 1.527(15) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.375(15) . ?
C27 C32 1.402(15) . ?
C28 C29 1.362(14) . ?
C28 C33 1.504(14) . ?
C29 C30 1.378(15) . ?
C29 H29 0.9300 . ?
C30 C31 1.409(16) . ?
C30 C34 1.511(15) . ?
C31 C32 1.353(16) . ?
C31 H31 0.9300 . ?
C32 C35 1.495(15) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 C41 1.383(15) . ?
C36 C37 1.408(15) . ?
C37 C38 1.377(15) . ?
C37 C42 1.490(15) . ?
C38 C39 1.373(17) . ?
C38 H38 0.9300 . ?
C39 C40 1.379(16) . ?
C39 C43 1.486(15) . ?
C40 C41 1.394(14) . ?
C40 H40 0.9300 . ?
C41 C44 1.516(15) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C46 1.376(14) . ?
C45 C50 1.402(13) . ?
C46 C47 1.395(14) . ?
C46 C51 1.508(14) . ?
C47 C48 1.383(15) . ?
C47 H47 0.9300 . ?
C48 C49 1.394(14) . ?
C48 C52 1.515(14) . ?
C49 C50 1.374(13) . ?
C49 H49 0.9300 . ?
C50 C53 1.497(13) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 C55 1.404(14) . ?
C54 C59 1.410(14) . ?
C55 C56 1.408(15) . ?
C55 C60 1.508(14) . ?
C56 C57 1.364(14) . ?
C56 H56 0.9300 . ?
C57 C58 1.378(15) . ?
C57 C61 1.478(15) . ?
C58 C59 1.398(16) . ?
C58 H58 0.9300 . ?
C59 C62 1.487(15) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 C64 1.372(17) . ?
C63 C68 1.383(15) . ?
C64 C65 1.432(18) . ?
C64 C69 1.545(17) . ?
C65 C66 1.369(19) . ?
C65 H65 0.9300 . ?
C66 C67 1.383(18) . ?
C66 C70 1.502(17) . ?
C67 C68 1.400(15) . ?
C67 H67 0.9300 . ?
C68 C71 1.467(15) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 C73 1.378(14) . ?
C72 C77 1.412(14) . ?
C73 C74 1.403(15) . ?
C73 C78 1.511(14) . ?
C74 C75 1.350(15) . ?
C74 H74 0.9300 . ?
C75 C76 1.406(15) . ?
C75 C79 1.507(14) . ?
C76 C77 1.374(14) . ?
C76 H76 0.9300 . ?
C77 C80 1.493(14) . ?
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 . ?
C81 C82 1.388(13) . ?
C81 C86 1.411(14) . ?
C82 C83 1.382(14) . ?
C82 H82 0.9300 . ?
C83 C84 1.385(14) . ?
C83 H83 0.9300 . ?
C84 C85 1.368(15) . ?
C84 H84 0.9300 . ?
C85 C86 1.371(15) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C87 C88 1.392(14) . ?
C87 C92 1.402(15) . ?
C88 C89 1.387(15) . ?
C88 H88 0.9300 . ?
C89 C90 1.393(17) . ?
C89 H89 0.9300 . ?
C90 C91 1.361(15) . ?
C90 H90 0.9300 . ?
C91 C92 1.406(14) . ?
C91 H91 0.9300 . ?
C92 H92 0.9300 . ?
C93 C98 1.379(14) . ?
C93 C94 1.408(14) . ?
C94 C95 1.392(14) . ?
C94 H94 0.9300 . ?
C95 C96 1.370(14) . ?
C95 H95 0.9300 . ?
C96 C97 1.395(15) . ?
C96 H96 0.9300 . ?
C97 C98 1.395(14) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 C100 1.399(14) . ?
C99 C104 1.410(14) . ?
C100 C101 1.382(14) . ?
C100 H100 0.9300 . ?
C101 C102 1.402(14) . ?
C101 H101 0.9300 . ?
C102 C103 1.410(14) . ?
C102 H102 0.9300 . ?
C103 C104 1.413(14) . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C105 C109 1.41(3) . ?
C106 C107 1.41(2) . ?
C106 C109 1.43(2) . ?
C107 C108 1.42(3) . ?
C110 C111 1.41(4) . ?
C111 C112 1.47(3) . ?
C112 C113 1.48(3) . ?
C113 C114 1.46(3) . ?

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
C2 Pd1 C1 109.3(5) . . ?
C2 Pd1 Pd3 63.7(3) . . ?
C1 Pd1 Pd3 163.7(3) . . ?
C2 Pd1 Pd6 164.7(3) . . ?
C1 Pd1 Pd6 64.7(3) . . ?
Pd3 Pd1 Pd6 125.82(4) . . ?
C2 Pd1 Pd2 124.9(3) . . ?
C1 Pd1 Pd2 125.8(3) . . ?
Pd3 Pd1 Pd2 62.80(3) . . ?
Pd6 Pd1 Pd2 63.02(3) . . ?
C2 Pd1 Pd4 85.5(3) . . ?
C1 Pd1 Pd4 134.8(3) . . ?
Pd3 Pd1 Pd4 61.08(3) . . ?
Pd6 Pd1 Pd4 89.62(4) . . ?
Pd2 Pd1 Pd4 57.91(3) . . ?
C2 Pd1 Pd5 133.7(3) . . ?
C1 Pd1 Pd5 85.4(3) . . ?
Pd3 Pd1 Pd5 89.80(4) . . ?
Pd6 Pd1 Pd5 61.36(3) . . ?
Pd2 Pd1 Pd5 57.51(3) . . ?
Pd4 Pd1 Pd5 115.42(4) . . ?
C2 Pd1 Si1 121.6(3) . . ?
C1 Pd1 Si1 92.3(3) . . ?
Pd3 Pd1 Si1 103.86(7) . . ?
Pd6 Pd1 Si1 47.54(6) . . ?
Pd2 Pd1 Si1 61.94(7) . . ?
Pd4 Pd1 Si1 46.45(6) . . ?
Pd5 Pd1 Si1 100.52(7) . . ?
C2 Pd1 Si2 90.8(3) . . ?
C1 Pd1 Si2 120.9(3) . . ?
Pd3 Pd1 Si2 47.69(6) . . ?
Pd6 Pd1 Si2 104.43(6) . . ?
Pd2 Pd1 Si2 61.76(6) . . ?
Pd4 Pd1 Si2 100.61(7) . . ?
Pd5 Pd1 Si2 46.70(6) . . ?
Si1 Pd1 Si2 123.70(9) . . ?
C3 Pd2 C4 109.2(5) . . ?
C3 Pd2 Pd5 62.2(3) . . ?
C4 Pd2 Pd5 162.9(3) . . ?
C3 Pd2 Pd4 167.4(3) . . ?
C4 Pd2 Pd4 66.5(3) . . ?
Pd5 Pd2 Pd4 125.03(4) . . ?
C3 Pd2 Pd1 123.8(3) . . ?
C4 Pd2 Pd1 126.8(3) . . ?
Pd5 Pd2 Pd1 62.74(3) . . ?
Pd4 Pd2 Pd1 62.30(3) . . ?
C3 Pd2 Pd3 131.7(3) . . ?
C4 Pd2 Pd3 86.0(3) . . ?
Pd5 Pd2 Pd3 89.73(4) . . ?
Pd4 Pd2 Pd3 60.75(3) . . ?
Pd1 Pd2 Pd3 57.46(3) . . ?
C3 Pd2 Pd6 86.4(3) . . ?
C4 Pd2 Pd6 135.2(3) . . ?
Pd5 Pd2 Pd6 61.27(3) . . ?
Pd4 Pd2 Pd6 89.02(4) . . ?
Pd1 Pd2 Pd6 57.60(3) . . ?
Pd3 Pd2 Pd6 115.07(4) . . ?
C3 Pd2 Si2 89.0(3) . . ?
C4 Pd2 Si2 120.8(3) . . ?
Pd5 Pd2 Si2 47.75(6) . . ?
Pd4 Pd2 Si2 103.42(7) . . ?
Pd1 Pd2 Si2 61.50(7) . . ?
Pd3 Pd2 Si2 46.48(6) . . ?
Pd6 Pd2 Si2 100.53(6) . . ?
C3 Pd2 Si1 123.6(3) . . ?
C4 Pd2 Si1 93.4(3) . . ?
Pd5 Pd2 Si1 103.68(7) . . ?
Pd4 Pd2 Si1 47.22(6) . . ?
Pd1 Pd2 Si1 61.35(7) . . ?
Pd3 Pd2 Si1 99.82(6) . . ?
Pd6 Pd2 Si1 46.22(6) . . ?
Si2 Pd2 Si1 122.85(9) . . ?
C5 Pd3 Si2 91.8(3) . . ?
C5 Pd3 Cl1 88.6(3) . . ?
Si2 Pd3 Cl1 172.34(11) . . ?
C5 Pd3 C2 134.2(4) . . ?
Si2 Pd3 C2 94.0(3) . . ?
Cl1 Pd3 C2 91.2(3) . . ?
C5 Pd3 Pd1 161.1(3) . . ?
Si2 Pd3 Pd1 70.94(8) . . ?
Cl1 Pd3 Pd1 109.62(7) . . ?
C2 Pd3 Pd1 43.5(2) . . ?
C5 Pd3 Pd4 136.5(3) . . ?
Si2 Pd3 Pd4 120.11(8) . . ?
Cl1 Pd3 Pd4 55.89(6) . . ?
C2 Pd3 Pd4 76.3(3) . . ?
Pd1 Pd3 Pd4 61.81(3) . . ?
C5 Pd3 Pd2 121.9(3) . . ?
Si2 Pd3 Pd2 68.29(8) . . ?
Cl1 Pd3 Pd2 105.12(7) . . ?
C2 Pd3 Pd2 102.3(2) . . ?
Pd1 Pd3 Pd2 59.74(3) . . ?
Pd4 Pd3 Pd2 57.22(3) . . ?
C6 Pd4 Si1 93.3(3) . . ?
C6 Pd4 Cl1 86.7(3) . . ?
Si1 Pd4 Cl1 173.09(12) . . ?
C6 Pd4 Pd2 163.0(3) . . ?
Si1 Pd4 Pd2 71.22(8) . . ?
Cl1 Pd4 Pd2 109.47(8) . . ?
C6 Pd4 Pd3 134.4(3) . . ?
Si1 Pd4 Pd3 120.34(9) . . ?
Cl1 Pd4 Pd3 56.15(7) . . ?
Pd2 Pd4 Pd3 62.02(3) . . ?
C6 Pd4 Pd1 121.8(3) . . ?
Si1 Pd4 Pd1 68.40(8) . . ?
Cl1 Pd4 Pd1 105.76(8) . . ?
Pd2 Pd4 Pd1 59.79(3) . . ?
Pd3 Pd4 Pd1 57.11(3) . . ?
C7 Pd5 Si2 92.6(3) . . ?
C7 Pd5 C3 134.1(5) . . ?
Si2 Pd5 C3 93.3(2) . . ?
C7 Pd5 Cl2 88.3(3) . . ?
Si2 Pd5 Cl2 172.83(11) . . ?
C3 Pd5 Cl2 91.2(2) . . ?
C7 Pd5 Pd2 162.0(3) . . ?
Si2 Pd5 Pd2 71.03(8) . . ?
C3 Pd5 Pd2 43.4(3) . . ?
Cl2 Pd5 Pd2 108.83(7) . . ?
C7 Pd5 Pd6 135.2(4) . . ?
Si2 Pd5 Pd6 120.04(9) . . ?
C3 Pd5 Pd6 77.7(2) . . ?
Cl2 Pd5 Pd6 55.55(7) . . ?
Pd2 Pd5 Pd6 62.20(3) . . ?
C7 Pd5 Pd1 121.9(4) . . ?
Si2 Pd5 Pd1 68.05(8) . . ?
C3 Pd5 Pd1 102.4(3) . . ?
Cl2 Pd5 Pd1 105.47(8) . . ?
Pd2 Pd5 Pd1 59.75(3) . . ?
Pd6 Pd5 Pd1 57.02(3) . . ?
C8 Pd6 Si1 91.8(3) . . ?
C8 Pd6 Cl2 89.0(3) . . ?
Si1 Pd6 Cl2 171.25(11) . . ?
C8 Pd6 C1 133.6(4) . . ?
Si1 Pd6 C1 94.5(3) . . ?
Cl2 Pd6 C1 91.2(3) . . ?
C8 Pd6 Pd1 160.3(3) . . ?
Si1 Pd6 Pd1 70.61(8) . . ?
Cl2 Pd6 Pd1 109.75(7) . . ?
C1 Pd6 Pd1 43.4(2) . . ?
C8 Pd6 Pd5 137.7(3) . . ?
Si1 Pd6 Pd5 119.40(8) . . ?
Cl2 Pd6 Pd5 55.85(6) . . ?
C1 Pd6 Pd5 75.5(2) . . ?
Pd1 Pd6 Pd5 61.61(3) . . ?
C8 Pd6 Pd2 123.3(3) . . ?
Si1 Pd6 Pd2 68.17(8) . . ?
Cl2 Pd6 Pd2 104.20(7) . . ?
C1 Pd6 Pd2 101.6(2) . . ?
Pd1 Pd6 Pd2 59.38(3) . . ?
Pd5 Pd6 Pd2 56.52(3) . . ?
Pd4 Cl1 Pd3 67.96(7) . . ?
Pd6 Cl2 Pd5 68.60(7) . . ?
C81 Si1 C87 106.9(5) . . ?
C81 Si1 Pd4 112.1(3) . . ?
C87 Si1 Pd4 103.3(3) . . ?
C81 Si1 Pd6 104.0(3) . . ?
C87 Si1 Pd6 110.8(4) . . ?
Pd4 Si1 Pd6 119.20(13) . . ?
C81 Si1 Pd1 99.5(3) . . ?
C87 Si1 Pd1 153.6(4) . . ?
Pd4 Si1 Pd1 65.15(8) . . ?
Pd6 Si1 Pd1 61.85(8) . . ?
C81 Si1 Pd2 156.2(4) . . ?
C87 Si1 Pd2 96.9(4) . . ?
Pd4 Si1 Pd2 61.56(7) . . ?
Pd6 Si1 Pd2 65.61(8) . . ?
Pd1 Si1 Pd2 56.72(6) . . ?
C99 Si2 C93 105.6(5) . . ?
C99 Si2 Pd3 110.4(3) . . ?
C93 Si2 Pd3 105.4(3) . . ?
C99 Si2 Pd5 105.6(3) . . ?
C93 Si2 Pd5 110.7(3) . . ?
Pd3 Si2 Pd5 118.56(13) . . ?
C99 Si2 Pd1 155.6(4) . . ?
C93 Si2 Pd1 98.8(4) . . ?
Pd3 Si2 Pd1 61.37(8) . . ?
Pd5 Si2 Pd1 65.25(7) . . ?
C99 Si2 Pd2 98.9(3) . . ?
C93 Si2 Pd2 155.5(4) . . ?
Pd3 Si2 Pd2 65.23(8) . . ?
Pd5 Si2 Pd2 61.22(7) . . ?
Pd1 Si2 Pd2 56.74(6) . . ?
C1 N1 C9 174.2(12) . . ?
C2 N2 C18 173.3(12) . . ?
C3 N3 C27 176.5(11) . . ?
C4 N4 C36 174.2(12) . . ?
C5 N5 C45 177.1(11) . . ?
C6 N6 C54 177.0(12) . . ?
C7 N7 C63 178.2(14) . . ?
C8 N8 C72 172.9(12) . . ?
N1 C1 Pd1 168.1(11) . . ?
N1 C1 Pd6 118.6(8) . . ?
Pd1 C1 Pd6 71.9(4) . . ?
N2 C2 Pd1 166.6(10) . . ?
N2 C2 Pd3 118.4(8) . . ?
Pd1 C2 Pd3 72.8(4) . . ?
N3 C3 Pd2 170.3(10) . . ?
N3 C3 Pd5 114.4(8) . . ?
Pd2 C3 Pd5 74.3(4) . . ?
N4 C4 Pd2 169.9(11) . . ?
N5 C5 Pd3 167.6(11) . . ?
N6 C6 Pd4 171.0(10) . . ?
N7 C7 Pd5 168.9(11) . . ?
N8 C8 Pd6 171.3(10) . . ?
N1 C9 C14 117.9(11) . . ?
N1 C9 C10 119.4(12) . . ?
C14 C9 C10 122.8(11) . . ?
C11 C10 C9 118.6(12) . . ?
C11 C10 C15 120.3(12) . . ?
C9 C10 C15 121.1(12) . . ?
C12 C11 C10 121.5(12) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 117.8(11) . . ?
C11 C12 C16 121.5(12) . . ?
C13 C12 C16 120.6(11) . . ?
C14 C13 C12 122.9(12) . . ?
C14 C13 H13 118.6 . . ?
C12 C13 H13 118.6 . . ?
C9 C14 C13 116.3(12) . . ?
C9 C14 C17 120.8(11) . . ?
C13 C14 C17 122.9(12) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 N2 118.5(11) . . ?
C23 C18 C19 121.4(10) . . ?
N2 C18 C19 120.0(10) . . ?
C20 C19 C18 118.2(11) . . ?
C20 C19 C24 122.0(12) . . ?
C18 C19 C24 119.7(10) . . ?
C19 C20 C21 122.5(12) . . ?
C19 C20 H20 118.8 . . ?
C21 C20 H20 118.8 . . ?
C22 C21 C20 118.0(11) . . ?
C22 C21 C25 119.6(11) . . ?
C20 C21 C25 122.4(11) . . ?
C21 C22 C23 121.9(11) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C18 C23 C22 118.0(11) . . ?
C18 C23 C26 119.9(10) . . ?
C22 C23 C26 122.1(10) . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 123.9(12) . . ?
C28 C27 N3 120.1(10) . . ?
C32 C27 N3 116.0(11) . . ?
C29 C28 C27 118.0(11) . . ?
C29 C28 C33 122.3(12) . . ?
C27 C28 C33 119.7(11) . . ?
C28 C29 C30 121.0(12) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C31 118.9(11) . . ?
C29 C30 C34 120.4(12) . . ?
C31 C30 C34 120.6(11) . . ?
C32 C31 C30 122.2(12) . . ?
C32 C31 H31 118.9 . . ?
C30 C31 H31 118.9 . . ?
C31 C32 C27 115.9(12) . . ?
C31 C32 C35 123.1(11) . . ?
C27 C32 C35 121.0(11) . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C41 C36 N4 118.7(11) . . ?
C41 C36 C37 120.6(11) . . ?
N4 C36 C37 120.7(11) . . ?
C38 C37 C36 118.8(12) . . ?
C38 C37 C42 123.7(12) . . ?
C36 C37 C42 117.5(11) . . ?
C39 C38 C37 121.9(12) . . ?
C39 C38 H38 119.1 . . ?
C37 C38 H38 119.1 . . ?
C38 C39 C40 118.3(12) . . ?
C38 C39 C43 122.7(13) . . ?
C40 C39 C43 119.0(13) . . ?
C39 C40 C41 122.4(12) . . ?
C39 C40 H40 118.8 . . ?
C41 C40 H40 118.8 . . ?
C36 C41 C40 117.9(11) . . ?
C36 C41 C44 121.2(10) . . ?
C40 C41 C44 120.8(11) . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C39 C43 H43A 109.5 . . ?
C39 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C39 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C50 125.4(10) . . ?
C46 C45 N5 118.2(9) . . ?
C50 C45 N5 116.4(10) . . ?
C45 C46 C47 115.3(10) . . ?
C45 C46 C51 123.5(10) . . ?
C47 C46 C51 121.2(11) . . ?
C48 C47 C46 122.6(12) . . ?
C48 C47 H47 118.7 . . ?
C46 C47 H47 118.7 . . ?
C47 C48 C49 118.5(10) . . ?
C47 C48 C52 120.4(11) . . ?
C49 C48 C52 121.1(11) . . ?
C50 C49 C48 122.3(10) . . ?
C50 C49 H49 118.9 . . ?
C48 C49 H49 118.9 . . ?
C49 C50 C45 115.8(10) . . ?
C49 C50 C53 122.3(10) . . ?
C45 C50 C53 121.9(9) . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C52 H52A 109.5 . . ?
C48 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C48 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55 C54 C59 122.4(10) . . ?
C55 C54 N6 118.7(10) . . ?
C59 C54 N6 119.0(10) . . ?
C54 C55 C56 118.4(10) . . ?
C54 C55 C60 120.3(10) . . ?
C56 C55 C60 121.2(10) . . ?
C57 C56 C55 120.5(11) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C56 C57 C58 119.5(10) . . ?
C56 C57 C61 120.5(11) . . ?
C58 C57 C61 120.0(11) . . ?
C57 C58 C59 123.9(11) . . ?
C57 C58 H58 118.0 . . ?
C59 C58 H58 118.0 . . ?
C58 C59 C54 115.2(11) . . ?
C58 C59 C62 123.3(10) . . ?
C54 C59 C62 121.5(10) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C57 C61 H61A 109.5 . . ?
C57 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C57 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 C68 125.3(13) . . ?
C64 C63 N7 116.0(12) . . ?
C68 C63 N7 118.7(11) . . ?
C63 C64 C65 115.8(14) . . ?
C63 C64 C69 122.6(14) . . ?
C65 C64 C69 121.5(14) . . ?
C66 C65 C64 121.9(15) . . ?
C66 C65 H65 119.0 . . ?
C64 C65 H65 119.0 . . ?
C65 C66 C67 118.0(14) . . ?
C65 C66 C70 120.7(15) . . ?
C67 C66 C70 121.3(14) . . ?
C66 C67 C68 123.7(12) . . ?
C66 C67 H67 118.2 . . ?
C68 C67 H67 118.2 . . ?
C63 C68 C67 115.1(12) . . ?
C63 C68 C71 123.7(12) . . ?
C67 C68 C71 121.1(10) . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C66 C70 H70A 109.5 . . ?
C66 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C66 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C68 C71 H71A 109.5 . . ?
C68 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C68 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C73 C72 N8 119.1(10) . . ?
C73 C72 C77 120.5(10) . . ?
N8 C72 C77 120.4(10) . . ?
C72 C73 C74 117.8(11) . . ?
C72 C73 C78 120.7(10) . . ?
C74 C73 C78 121.4(11) . . ?
C75 C74 C73 123.5(12) . . ?
C75 C74 H74 118.3 . . ?
C73 C74 H74 118.3 . . ?
C74 C75 C76 117.7(11) . . ?
C74 C75 C79 123.5(12) . . ?
C76 C75 C79 118.9(12) . . ?
C77 C76 C75 121.4(11) . . ?
C77 C76 H76 119.3 . . ?
C75 C76 H76 119.3 . . ?
C76 C77 C72 119.0(11) . . ?
C76 C77 C80 121.2(11) . . ?
C72 C77 C80 119.6(10) . . ?
C73 C78 H78A 109.5 . . ?
C73 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C73 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C75 C79 H79A 109.5 . . ?
C75 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C75 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 . . ?
C82 C81 C86 115.8(10) . . ?
C82 C81 Si1 123.3(8) . . ?
C86 C81 Si1 120.8(8) . . ?
C83 C82 C81 122.3(10) . . ?
C83 C82 H82 118.8 . . ?
C81 C82 H82 118.8 . . ?
C82 C83 C84 119.5(11) . . ?
C82 C83 H83 120.2 . . ?
C84 C83 H83 120.2 . . ?
C85 C84 C83 120.2(11) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 119.7(11) . . ?
C84 C85 H85 120.2 . . ?
C86 C85 H85 120.2 . . ?
C85 C86 C81 122.5(11) . . ?
C85 C86 H86 118.7 . . ?
C81 C86 H86 118.7 . . ?
C88 C87 C92 117.7(11) . . ?
C88 C87 Si1 122.0(9) . . ?
C92 C87 Si1 120.1(9) . . ?
C89 C88 C87 121.1(12) . . ?
C89 C88 H88 119.4 . . ?
C87 C88 H88 119.4 . . ?
C88 C89 C90 119.4(12) . . ?
C88 C89 H89 120.3 . . ?
C90 C89 H89 120.3 . . ?
C91 C90 C89 121.4(12) . . ?
C91 C90 H90 119.3 . . ?
C89 C90 H90 119.3 . . ?
C90 C91 C92 118.7(12) . . ?
C90 C91 H91 120.7 . . ?
C92 C91 H91 120.7 . . ?
C87 C92 C91 121.6(11) . . ?
C87 C92 H92 119.2 . . ?
C91 C92 H92 119.2 . . ?
C98 C93 C94 115.7(10) . . ?
C98 C93 Si2 122.5(8) . . ?
C94 C93 Si2 121.8(8) . . ?
C95 C94 C93 122.2(11) . . ?
C95 C94 H94 118.9 . . ?
C93 C94 H94 118.9 . . ?
C96 C95 C94 120.6(10) . . ?
C96 C95 H95 119.7 . . ?
C94 C95 H95 119.7 . . ?
C95 C96 C97 118.5(11) . . ?
C95 C96 H96 120.8 . . ?
C97 C96 H96 120.8 . . ?
C98 C97 C96 120.1(11) . . ?
C98 C97 H97 119.9 . . ?
C96 C97 H97 119.9 . . ?
C93 C98 C97 122.8(10) . . ?
C93 C98 H98 118.6 . . ?
C97 C98 H98 118.6 . . ?
C100 C99 C104 115.9(10) . . ?
C100 C99 Si2 121.7(8) . . ?
C104 C99 Si2 122.4(8) . . ?
C101 C100 C99 122.9(11) . . ?
C101 C100 H100 118.5 . . ?
C99 C100 H100 118.5 . . ?
C100 C101 C102 121.7(11) . . ?
C100 C101 H101 119.2 . . ?
C102 C101 H101 119.2 . . ?
C101 C102 C103 116.8(11) . . ?
C101 C102 H102 121.6 . . ?
C103 C102 H102 121.6 . . ?
C102 C103 C104 120.9(10) . . ?
C102 C103 H103 119.5 . . ?
C104 C103 H103 119.5 . . ?
C99 C104 C103 121.7(10) . . ?
C99 C104 H104 119.1 . . ?
C103 C104 H104 119.1 . . ?
C107 C106 C109 129.6(17) . . ?
C106 C107 C108 124.0(18) . . ?
C105 C109 C106 123.2(18) . . ?
C110 C111 C112 113(2) . . ?
C111 C112 C113 115.7(18) . . ?
C114 C113 C112 111.9(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C9 C10 C11 -178.3(11) . . . . ?
C14 C9 C10 C11 1.3(19) . . . . ?
N1 C9 C10 C15 0.5(18) . . . . ?
C14 C9 C10 C15 -179.9(11) . . . . ?
C9 C10 C11 C12 -2.7(19) . . . . ?
C15 C10 C11 C12 178.5(11) . . . . ?
C10 C11 C12 C13 1.9(18) . . . . ?
C10 C11 C12 C16 179.3(12) . . . . ?
C11 C12 C13 C14 0.4(19) . . . . ?
C16 C12 C13 C14 -177.1(12) . . . . ?
N1 C9 C14 C13 -179.6(11) . . . . ?
C10 C9 C14 C13 0.9(19) . . . . ?
N1 C9 C14 C17 1.1(18) . . . . ?
C10 C9 C14 C17 -178.4(11) . . . . ?
C12 C13 C14 C9 -1.7(19) . . . . ?
C12 C13 C14 C17 177.6(11) . . . . ?
C23 C18 C19 C20 0.0(19) . . . . ?
N2 C18 C19 C20 -175.9(11) . . . . ?
C23 C18 C19 C24 -179.9(12) . . . . ?
N2 C18 C19 C24 4.1(19) . . . . ?
C18 C19 C20 C21 -0.1(19) . . . . ?
C24 C19 C20 C21 179.8(12) . . . . ?
C19 C20 C21 C22 -0.4(19) . . . . ?
C19 C20 C21 C25 179.9(12) . . . . ?
C20 C21 C22 C23 1.1(19) . . . . ?
C25 C21 C22 C23 -179.3(11) . . . . ?
N2 C18 C23 C22 176.6(11) . . . . ?
C19 C18 C23 C22 0.6(19) . . . . ?
N2 C18 C23 C26 -2.1(18) . . . . ?
C19 C18 C23 C26 -178.1(12) . . . . ?
C21 C22 C23 C18 -1.2(19) . . . . ?
C21 C22 C23 C26 177.5(12) . . . . ?
C32 C27 C28 C29 1.3(18) . . . . ?
N3 C27 C28 C29 179.0(10) . . . . ?
C32 C27 C28 C33 -177.1(11) . . . . ?
N3 C27 C28 C33 0.6(17) . . . . ?
C27 C28 C29 C30 1.7(17) . . . . ?
C33 C28 C29 C30 -179.9(11) . . . . ?
C28 C29 C30 C31 -3.0(18) . . . . ?
C28 C29 C30 C34 175.3(11) . . . . ?
C29 C30 C31 C32 1.4(19) . . . . ?
C34 C30 C31 C32 -176.9(11) . . . . ?
C30 C31 C32 C27 1.4(19) . . . . ?
C30 C31 C32 C35 -179.1(12) . . . . ?
C28 C27 C32 C31 -2.8(19) . . . . ?
N3 C27 C32 C31 179.4(10) . . . . ?
C28 C27 C32 C35 177.7(11) . . . . ?
N3 C27 C32 C35 -0.1(17) . . . . ?
C41 C36 C37 C38 -1.1(18) . . . . ?
N4 C36 C37 C38 177.6(11) . . . . ?
C41 C36 C37 C42 177.8(11) . . . . ?
N4 C36 C37 C42 -3.5(17) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C42 C37 C38 C39 178.9(12) . . . . ?
C37 C38 C39 C40 3(2) . . . . ?
C37 C38 C39 C43 -179.4(13) . . . . ?
C38 C39 C40 C41 -1(2) . . . . ?
C43 C39 C40 C41 -178.3(12) . . . . ?
N4 C36 C41 C40 -175.3(11) . . . . ?
C37 C36 C41 C40 3.4(17) . . . . ?
N4 C36 C41 C44 2.1(17) . . . . ?
C37 C36 C41 C44 -179.1(11) . . . . ?
C39 C40 C41 C36 -2.5(19) . . . . ?
C39 C40 C41 C44 -179.9(12) . . . . ?
C50 C45 C46 C47 -2.6(17) . . . . ?
N5 C45 C46 C47 178.1(10) . . . . ?
C50 C45 C46 C51 177.1(10) . . . . ?
N5 C45 C46 C51 -2.2(17) . . . . ?
C45 C46 C47 C48 -0.5(18) . . . . ?
C51 C46 C47 C48 179.7(11) . . . . ?
C46 C47 C48 C49 2.7(19) . . . . ?
C46 C47 C48 C52 -177.4(11) . . . . ?
C47 C48 C49 C50 -1.8(18) . . . . ?
C52 C48 C49 C50 178.2(11) . . . . ?
C48 C49 C50 C45 -1.0(16) . . . . ?
C48 C49 C50 C53 179.6(11) . . . . ?
C46 C45 C50 C49 3.4(17) . . . . ?
N5 C45 C50 C49 -177.3(9) . . . . ?
C46 C45 C50 C53 -177.3(10) . . . . ?
N5 C45 C50 C53 2.1(15) . . . . ?
C59 C54 C55 C56 1.0(18) . . . . ?
N6 C54 C55 C56 -178.2(11) . . . . ?
C59 C54 C55 C60 178.7(11) . . . . ?
N6 C54 C55 C60 -0.5(17) . . . . ?
C54 C55 C56 C57 -2.4(18) . . . . ?
C60 C55 C56 C57 180.0(11) . . . . ?
C55 C56 C57 C58 1.8(18) . . . . ?
C55 C56 C57 C61 -178.0(12) . . . . ?
C56 C57 C58 C59 0(2) . . . . ?
C61 C57 C58 C59 -180.0(12) . . . . ?
C57 C58 C59 C54 -1.5(19) . . . . ?
C57 C58 C59 C62 177.6(12) . . . . ?
C55 C54 C59 C58 0.9(18) . . . . ?
N6 C54 C59 C58 -179.9(11) . . . . ?
C55 C54 C59 C62 -178.3(12) . . . . ?
N6 C54 C59 C62 0.9(18) . . . . ?
C68 C63 C64 C65 5(2) . . . . ?
N7 C63 C64 C65 -174.3(14) . . . . ?
C68 C63 C64 C69 -176.0(14) . . . . ?
N7 C63 C64 C69 5(2) . . . . ?
C63 C64 C65 C66 -1(3) . . . . ?
C69 C64 C65 C66 179.8(18) . . . . ?
C64 C65 C66 C67 -1(3) . . . . ?
C64 C65 C66 C70 179.1(16) . . . . ?
C65 C66 C67 C68 1(3) . . . . ?
C70 C66 C67 C68 -180.0(15) . . . . ?
C64 C63 C68 C67 -6(2) . . . . ?
N7 C63 C68 C67 173.5(11) . . . . ?
C64 C63 C68 C71 178.5(13) . . . . ?
N7 C63 C68 C71 -2(2) . . . . ?
C66 C67 C68 C63 3(2) . . . . ?
C66 C67 C68 C71 178.7(14) . . . . ?
N8 C72 C73 C74 -178.9(10) . . . . ?
C77 C72 C73 C74 -2.1(17) . . . . ?
N8 C72 C73 C78 3.5(16) . . . . ?
C77 C72 C73 C78 -179.7(10) . . . . ?
C72 C73 C74 C75 1.3(18) . . . . ?
C78 C73 C74 C75 178.9(11) . . . . ?
C73 C74 C75 C76 -1.3(18) . . . . ?
C73 C74 C75 C79 177.6(11) . . . . ?
C74 C75 C76 C77 2.2(17) . . . . ?
C79 C75 C76 C77 -176.8(11) . . . . ?
C75 C76 C77 C72 -3.0(17) . . . . ?
C75 C76 C77 C80 -177.1(10) . . . . ?
C73 C72 C77 C76 3.0(17) . . . . ?
N8 C72 C77 C76 179.7(10) . . . . ?
C73 C72 C77 C80 177.2(10) . . . . ?
N8 C72 C77 C80 -6.1(16) . . . . ?
C87 Si1 C81 C82 -148.9(9) . . . . ?
Pd4 Si1 C81 C82 -36.3(10) . . . . ?
Pd6 Si1 C81 C82 93.8(9) . . . . ?
Pd1 Si1 C81 C82 30.6(9) . . . . ?
Pd2 Si1 C81 C82 33.0(14) . . . . ?
C87 Si1 C81 C86 35.3(10) . . . . ?
Pd4 Si1 C81 C86 147.9(7) . . . . ?
Pd6 Si1 C81 C86 -82.0(9) . . . . ?
Pd1 Si1 C81 C86 -145.2(8) . . . . ?
Pd2 Si1 C81 C86 -142.7(8) . . . . ?
C86 C81 C82 C83 0.5(16) . . . . ?
Si1 C81 C82 C83 -175.4(8) . . . . ?
C81 C82 C83 C84 -0.6(17) . . . . ?
C82 C83 C84 C85 0.7(17) . . . . ?
C83 C84 C85 C86 -0.7(18) . . . . ?
C84 C85 C86 C81 0.6(18) . . . . ?
C82 C81 C86 C85 -0.5(16) . . . . ?
Si1 C81 C86 C85 175.6(9) . . . . ?
C92 C87 C88 C89 2.1(16) . . . . ?
Si1 C87 C88 C89 176.5(9) . . . . ?
C87 C88 C89 C90 -3.6(17) . . . . ?
C88 C89 C90 C91 3.7(18) . . . . ?
C89 C90 C91 C92 -2.3(17) . . . . ?
C88 C87 C92 C91 -0.7(15) . . . . ?
Si1 C87 C92 C91 -175.2(8) . . . . ?
C90 C91 C92 C87 0.8(16) . . . . ?
C99 Si2 C93 C98 -144.7(9) . . . . ?
Pd3 Si2 C93 C98 98.5(9) . . . . ?
Pd5 Si2 C93 C98 -30.9(10) . . . . ?
Pd1 Si2 C93 C98 35.9(10) . . . . ?
Pd2 Si2 C93 C98 34.9(15) . . . . ?
C99 Si2 C93 C94 37.4(10) . . . . ?
Pd3 Si2 C93 C94 -79.5(9) . . . . ?
Pd5 Si2 C93 C94 151.2(8) . . . . ?
Pd1 Si2 C93 C94 -142.0(9) . . . . ?
Pd2 Si2 C93 C94 -143.0(8) . . . . ?
C98 C93 C94 C95 0.0(16) . . . . ?
Si2 C93 C94 C95 178.1(9) . . . . ?
C93 C94 C95 C96 2.7(18) . . . . ?
C94 C95 C96 C97 -4.4(18) . . . . ?
C95 C96 C97 C98 3.6(18) . . . . ?
C94 C93 C98 C97 -0.9(17) . . . . ?
Si2 C93 C98 C97 -179.0(9) . . . . ?
C96 C97 C98 C93 -0.9(18) . . . . ?
C93 Si2 C99 C100 -150.2(8) . . . . ?
Pd3 Si2 C99 C100 -36.8(9) . . . . ?
Pd5 Si2 C99 C100 92.4(8) . . . . ?
Pd1 Si2 C99 C100 28.4(14) . . . . ?
Pd2 Si2 C99 C100 29.9(8) . . . . ?
C93 Si2 C99 C104 30.8(9) . . . . ?
Pd3 Si2 C99 C104 144.1(7) . . . . ?
Pd5 Si2 C99 C104 -86.6(8) . . . . ?
Pd1 Si2 C99 C104 -150.6(7) . . . . ?
Pd2 Si2 C99 C104 -149.1(7) . . . . ?
C104 C99 C100 C101 -0.4(15) . . . . ?
Si2 C99 C100 C101 -179.5(8) . . . . ?
C99 C100 C101 C102 -0.1(16) . . . . ?
C100 C101 C102 C103 0.4(15) . . . . ?
C101 C102 C103 C104 -0.1(15) . . . . ?
C100 C99 C104 C103 0.7(14) . . . . ?
Si2 C99 C104 C103 179.8(8) . . . . ?
C102 C103 C104 C99 -0.5(15) . . . . ?
C109 C106 C107 C108 176(2) . . . . ?
C107 C106 C109 C105 -173(2) . . . . ?
C110 C111 C112 C113 178(2) . . . . ?
C111 C112 C113 C114 -172.1(19) . . . . ?


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


