#------------------------------------------------------------------------------
#$Date: 2021-09-06 11:58:39 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268500 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/85/7128591.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7128591
loop_
_publ_author_name
'Shimamoto, Kento'
'Sunada, Yusuke'
_publ_section_title
;
 Nuclearity expansion in Pd clusters triggered by the migration of a
 phenyl group in cyclooligosilanes.
;
_journal_issue                   62
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7649
_journal_page_last               7652
_journal_paper_doi               10.1039/d1cc02682h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C88 H112 N8 Pd7 Si4'
_chemical_formula_sum            'C88 H112 N8 Pd7 Si4'
_chemical_formula_weight         2139.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-04-20 deposited with the CCDC.	2021-07-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.647(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   23.5338(9)
_cell_length_b                   17.3277(6)
_cell_length_c                   26.3271(9)
_cell_measurement_reflns_used    23135
_cell_measurement_temperature    113
_cell_measurement_theta_max      31.23
_cell_measurement_theta_min      1.87
_cell_volume                     9978.7(7)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 28.626
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1038
_diffrn_reflns_av_unetI/netI     0.1638
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.896
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            90976
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.156
_diffrn_reflns_theta_min         1.874
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.916
_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_crystal_colour            black
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             4296.00
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     952
_refine_ls_number_reflns         28869
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1753
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0552P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13479
_reflns_number_total             28869
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1cc02682h2.cif
_cod_data_source_block           Pd7(CNtBu)8(SiPh2)2(SiPh)(SiPh3)
_cod_depositor_comments
'Adding full bibliography for 7128591--7128594.cif.'
_cod_database_code               7128591
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
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 . . .
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)
;
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_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_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) . . . . ?
