#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:57:19 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179770 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/66/7006641.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_7006641
loop_
_publ_author_name
'Iwamoto, Takeaki'
'Sekiguchi, Yumiko'
'Yoshida, Naoki'
'Kabuto, Chizuko'
'Kira, Mitsuo'
_publ_section_title
;
 Ligand dependence of pi-complex character in disilene-palladium
 complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              177
_journal_page_last               182
_journal_paper_doi               10.1039/b512414j
_journal_year                    2006
_chemical_formula_sum            'C42 H78 N2 Pd Si6'
_chemical_formula_weight         886.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.695(2)
_cell_angle_beta                 104.615(2)
_cell_angle_gamma                114.174(3)
_cell_formula_units_Z            2
_cell_length_a                   12.988(4)
_cell_length_b                   13.561(4)
_cell_length_c                   16.667(5)
_cell_measurement_reflns_used    5388
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0267
_cell_volume                     2496.2(13)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       dtintegrate.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18243
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.64
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Organge
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         0.817
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         10160
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0243P)²+3.8429P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                8578
_reflns_number_total             10160
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512414j.txt
_cod_data_source_block           (XylNC)2Ph(disilene)_complex_9
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2496.3(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006641
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.53787(2) 0.81535(2) 0.771601(17) 0.02288(8) Uani 1 1 d . . .
Si1 Si 0.33610(9) 0.72940(8) 0.66668(6) 0.0214(2) Uani 1 1 d . . .
Si2 Si 0.36901(9) 0.65100(8) 0.77774(6) 0.0221(2) Uani 1 1 d . . .
C1 C 0.6397(3) 0.9115(3) 0.7115(2) 0.0291(8) Uani 1 1 d . . .
N1 N 0.7114(3) 0.9588(3) 0.6824(2) 0.0306(7) Uani 1 1 d . . .
C2 C 0.6669(3) 0.8700(3) 0.8888(2) 0.0284(8) Uani 1 1 d . . .
N2 N 0.7470(3) 0.9161(3) 0.95313(19) 0.0282(7) Uani 1 1 d . . .
Si3 Si 0.34065(9) 0.67145(8) 0.52767(6) 0.0248(2) Uani 1 1 d . . .
C3 C 0.1935(3) 0.5560(3) 0.4425(2) 0.0319(9) Uani 1 1 d . . .
C4 C 0.2136(4) 0.5411(4) 0.3561(3) 0.0475(11) Uani 1 1 d . . .
H1 H 0.2780 0.5219 0.3615 0.071 Uiso 1 1 calc R . .
H2 H 0.2338 0.6098 0.3393 0.071 Uiso 1 1 calc R . .
H3 H 0.1416 0.4822 0.3132 0.071 Uiso 1 1 calc R . .
C5 C 0.0920(4) 0.5874(4) 0.4331(3) 0.0419(10) Uani 1 1 d . . .
H4 H 0.0201 0.5288 0.3899 0.063 Uiso 1 1 calc R . .
H5 H 0.1132 0.6562 0.4165 0.063 Uiso 1 1 calc R . .
H6 H 0.0786 0.5969 0.4871 0.063 Uiso 1 1 calc R . .
C6 C 0.1573(4) 0.4450(3) 0.4673(3) 0.0456(11) Uani 1 1 d . . .
H7 H 0.1491 0.4552 0.5231 0.068 Uiso 1 1 calc R . .
H8 H 0.2179 0.4214 0.4688 0.068 Uiso 1 1 calc R . .
H9 H 0.0822 0.3890 0.4256 0.068 Uiso 1 1 calc R . .
C7 C 0.4596(3) 0.6253(3) 0.5311(3) 0.0338(9) Uani 1 1 d . . .
H10 H 0.4782 0.6280 0.4789 0.051 Uiso 1 1 calc R . .
H11 H 0.4308 0.5500 0.5366 0.051 Uiso 1 1 calc R . .
H12 H 0.5306 0.6745 0.5794 0.051 Uiso 1 1 calc R . .
C8 C 0.3917(4) 0.8001(3) 0.4867(3) 0.0361(9) Uani 1 1 d . . .
H13 H 0.4647 0.8590 0.5287 0.054 Uiso 1 1 calc R . .
H14 H 0.3309 0.8244 0.4765 0.054 Uiso 1 1 calc R . .
H15 H 0.4056 0.7826 0.4339 0.054 Uiso 1 1 calc R . .
Si4 Si 0.25328(9) 0.85736(8) 0.67209(6) 0.0259(2) Uani 1 1 d . . .
C9 C 0.3696(4) 1.0133(3) 0.7163(3) 0.0327(9) Uani 1 1 d . . .
C10 C 0.4459(4) 1.0469(3) 0.6593(3) 0.0408(10) Uani 1 1 d . . .
H16 H 0.3951 1.0335 0.6019 0.061 Uiso 1 1 calc R . .
H17 H 0.4883 1.0033 0.6585 0.061 Uiso 1 1 calc R . .
H18 H 0.5024 1.1252 0.6816 0.061 Uiso 1 1 calc R . .
C11 C 0.3029(4) 1.0846(3) 0.7168(3) 0.0508(12) Uani 1 1 d . . .
H19 H 0.3602 1.1627 0.7384 0.076 Uiso 1 1 calc R . .
H20 H 0.2549 1.0649 0.7530 0.076 Uiso 1 1 calc R . .
H21 H 0.2521 1.0708 0.6592 0.076 Uiso 1 1 calc R . .
C12 C 0.4515(4) 1.0385(3) 0.8082(3) 0.0427(10) Uani 1 1 d . . .
H22 H 0.4904 0.9916 0.8096 0.064 Uiso 1 1 calc R . .
H23 H 0.4046 1.0239 0.8455 0.064 Uiso 1 1 calc R . .
H24 H 0.5109 1.1159 0.8273 0.064 Uiso 1 1 calc R . .
C13 C 0.1489(4) 0.8257(4) 0.7354(3) 0.0400(10) Uani 1 1 d . . .
H25 H 0.1028 0.8657 0.7248 0.060 Uiso 1 1 calc R . .
H26 H 0.1945 0.8486 0.7957 0.060 Uiso 1 1 calc R . .
H27 H 0.0958 0.7466 0.7183 0.060 Uiso 1 1 calc R . .
C14 C 0.1556(4) 0.8436(4) 0.5623(3) 0.0397(10) Uani 1 1 d . . .
H28 H 0.0879 0.7702 0.5407 0.059 Uiso 1 1 calc R . .
H29 H 0.2010 0.8542 0.5239 0.059 Uiso 1 1 calc R . .
H30 H 0.1281 0.8992 0.5661 0.059 Uiso 1 1 calc R . .
Si5 Si 0.40614(9) 0.49223(8) 0.76007(7) 0.0254(2) Uani 1 1 d . . .
C15 C 0.5726(3) 0.5276(3) 0.7909(2) 0.0267(8) Uani 1 1 d . . .
C16 C 0.5836(4) 0.4190(3) 0.7739(3) 0.0349(9) Uani 1 1 d . . .
H31 H 0.6668 0.4368 0.7896 0.052 Uiso 1 1 calc R . .
H32 H 0.5436 0.3799 0.7138 0.052 Uiso 1 1 calc R . .
H33 H 0.5471 0.3723 0.8075 0.052 Uiso 1 1 calc R . .
C17 C 0.6376(3) 0.5885(3) 0.8862(2) 0.0322(9) Uani 1 1 d . . .
H34 H 0.7193 0.6016 0.9019 0.048 Uiso 1 1 calc R . .
H35 H 0.5985 0.5434 0.9196 0.048 Uiso 1 1 calc R . .
H36 H 0.6358 0.6590 0.8973 0.048 Uiso 1 1 calc R . .
C18 C 0.6335(4) 0.6017(3) 0.7381(3) 0.0347(9) Uani 1 1 d . . .
H37 H 0.6236 0.6683 0.7458 0.052 Uiso 1 1 calc R . .
H38 H 0.5976 0.5612 0.6783 0.052 Uiso 1 1 calc R . .
H39 H 0.7175 0.6221 0.7573 0.052 Uiso 1 1 calc R . .
C19 C 0.3274(4) 0.3975(3) 0.6471(3) 0.0394(10) Uani 1 1 d . . .
H40 H 0.3315 0.3283 0.6460 0.059 Uiso 1 1 calc R . .
H41 H 0.3657 0.4336 0.6094 0.059 Uiso 1 1 calc R . .
H42 H 0.2449 0.3825 0.6283 0.059 Uiso 1 1 calc R . .
C20 C 0.3422(4) 0.3970(3) 0.8269(3) 0.0357(9) Uani 1 1 d . . .
H43 H 0.2569 0.3699 0.8090 0.054 Uiso 1 1 calc R . .
H44 H 0.3778 0.4381 0.8865 0.054 Uiso 1 1 calc R . .
H45 H 0.3593 0.3347 0.8190 0.054 Uiso 1 1 calc R . .
Si6 Si 0.33652(9) 0.68922(8) 0.90953(6) 0.0256(2) Uani 1 1 d . . .
C21 C 0.1828(3) 0.5989(3) 0.9177(3) 0.0331(9) Uani 1 1 d . . .
C22 C 0.0887(4) 0.6268(5) 0.8665(3) 0.0564(13) Uani 1 1 d . . .
H46 H 0.0808 0.6101 0.8068 0.085 Uiso 1 1 calc R . .
H47 H 0.1126 0.7051 0.8874 0.085 Uiso 1 1 calc R . .
H48 H 0.0131 0.5829 0.8729 0.085 Uiso 1 1 calc R . .
C23 C 0.1409(4) 0.4732(4) 0.8854(3) 0.0542(13) Uani 1 1 d . . .
H49 H 0.1990 0.4542 0.9180 0.081 Uiso 1 1 calc R . .
H50 H 0.1322 0.4549 0.8257 0.081 Uiso 1 1 calc R . .
H51 H 0.0651 0.4317 0.8924 0.081 Uiso 1 1 calc R . .
C24 C 0.1917(4) 0.6232(4) 1.0124(3) 0.0492(12) Uani 1 1 d . . .
H52 H 0.1128 0.5883 1.0162 0.074 Uiso 1 1 calc R . .
H53 H 0.2276 0.7028 1.0366 0.074 Uiso 1 1 calc R . .
H54 H 0.2402 0.5939 1.0436 0.074 Uiso 1 1 calc R . .
C25 C 0.4530(4) 0.6732(3) 0.9929(2) 0.0349(9) Uani 1 1 d . . .
H55 H 0.5297 0.7116 0.9864 0.052 Uiso 1 1 calc R . .
H56 H 0.4314 0.5951 0.9854 0.052 Uiso 1 1 calc R . .
H57 H 0.4571 0.7049 1.0494 0.052 Uiso 1 1 calc R . .
C26 C 0.3723(4) 0.8403(3) 0.9456(3) 0.0366(9) Uani 1 1 d . . .
H58 H 0.3716 0.8567 1.0033 0.055 Uiso 1 1 calc R . .
H59 H 0.3133 0.8539 0.9078 0.055 Uiso 1 1 calc R . .
H60 H 0.4502 0.8875 0.9441 0.055 Uiso 1 1 calc R . .
C27 C 0.8135(3) 1.0199(3) 0.6614(2) 0.0298(8) Uani 1 1 d . . .
C28 C 0.8692(3) 1.1370(3) 0.6894(2) 0.0342(9) Uani 1 1 d . . .
C29 C 0.9757(4) 1.1941(4) 0.6736(3) 0.0430(11) Uani 1 1 d . . .
H61 H 1.0155 1.2721 0.6910 0.052 Uiso 1 1 calc R . .
C30 C 1.0232(4) 1.1377(4) 0.6328(3) 0.0464(11) Uani 1 1 d . . .
H62 H 1.0958 1.1776 0.6247 0.056 Uiso 1 1 calc R . .
C31 C 0.9642(4) 1.0229(4) 0.6038(3) 0.0429(10) Uani 1 1 d . . .
H63 H 0.9959 0.9861 0.5744 0.051 Uiso 1 1 calc R . .
C32 C 0.8578(4) 0.9604(4) 0.6175(3) 0.0363(9) Uani 1 1 d . . .
C33 C 0.8159(4) 1.1977(4) 0.7335(3) 0.0454(11) Uani 1 1 d . . .
H64 H 0.7405 1.1843 0.6940 0.068 Uiso 1 1 calc R . .
H65 H 0.8697 1.2768 0.7520 0.068 Uiso 1 1 calc R . .
H66 H 0.8036 1.1710 0.7825 0.068 Uiso 1 1 calc R . .
C34 C 0.7950(4) 0.8353(4) 0.5872(3) 0.0517(12) Uani 1 1 d . . .
H67 H 0.7184 0.8107 0.5439 0.078 Uiso 1 1 calc R . .
H68 H 0.7834 0.8048 0.6348 0.078 Uiso 1 1 calc R . .
H69 H 0.8426 0.8099 0.5633 0.078 Uiso 1 1 calc R . .
C35 C 0.8522(3) 0.9873(3) 1.0226(2) 0.0269(8) Uani 1 1 d . . .
C36 C 0.9208(3) 1.0941(3) 1.0171(2) 0.0304(8) Uani 1 1 d . . .
C37 C 1.0261(4) 1.1631(3) 1.0858(3) 0.0382(10) Uani 1 1 d . . .
H70 H 1.0741 1.2354 1.0844 0.046 Uiso 1 1 calc R . .
C38 C 1.0606(4) 1.1260(4) 1.1558(3) 0.0422(10) Uani 1 1 d . . .
H71 H 1.1315 1.1735 1.2011 0.051 Uiso 1 1 calc R . .
C39 C 0.9909(3) 1.0192(4) 1.1591(2) 0.0364(9) Uani 1 1 d . . .
H72 H 1.0150 0.9952 1.2069 0.044 Uiso 1 1 calc R . .
C40 C 0.8850(3) 0.9465(3) 1.0921(2) 0.0306(8) Uani 1 1 d . . .
C41 C 0.8821(4) 1.1327(3) 0.9400(3) 0.0403(10) Uani 1 1 d . . .
H73 H 0.8768 1.0850 0.8894 0.060 Uiso 1 1 calc R . .
H74 H 0.9398 1.2086 0.9475 0.060 Uiso 1 1 calc R . .
H75 H 0.8051 1.1293 0.9336 0.060 Uiso 1 1 calc R . .
C42 C 0.8111(4) 0.8286(4) 1.0941(3) 0.0474(11) Uani 1 1 d . . .
H76 H 0.8469 0.8170 1.1475 0.071 Uiso 1 1 calc R . .
H77 H 0.8078 0.7768 1.0470 0.071 Uiso 1 1 calc R . .
H78 H 0.7313 0.8167 1.0890 0.071 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Pd1 C2 97.59(15) . . ?
C1 Pd1 Si1 103.36(11) . . ?
C2 Pd1 Si1 157.63(11) . . ?
C1 Pd1 Si2 154.45(11) . . ?
C2 Pd1 Si2 105.48(11) . . ?
Si1 Pd1 Si2 56.01(4) . . ?
Si2 Si1 Si3 125.88(5) . . ?
Si2 Si1 Si4 121.20(5) . . ?
Si3 Si1 Si4 111.86(5) . . ?
Si2 Si1 Pd1 62.15(4) . . ?
Si3 Si1 Pd1 109.73(5) . . ?
Si4 Si1 Pd1 110.04(5) . . ?
Si1 Si2 Si6 126.22(6) . . ?
Si1 Si2 Si5 121.23(5) . . ?
Si6 Si2 Si5 111.62(5) . . ?
Si1 Si2 Pd1 61.84(4) . . ?
Si6 Si2 Pd1 109.71(5) . . ?
Si5 Si2 Pd1 109.88(5) . . ?
N1 C1 Pd1 167.9(3) . . ?
C1 N1 C27 169.8(4) . . ?
N2 C2 Pd1 170.1(3) . . ?
C2 N2 C35 169.1(4) . . ?
C7 Si3 C8 103.93(18) . . ?
C7 Si3 C3 107.36(18) . . ?
C8 Si3 C3 108.34(18) . . ?
C7 Si3 Si1 112.14(13) . . ?
C8 Si3 Si1 106.79(13) . . ?
C3 Si3 Si1 117.40(13) . . ?
C5 C3 C4 108.8(3) . . ?
C5 C3 C6 108.8(3) . . ?
C4 C3 C6 109.2(3) . . ?
C5 C3 Si3 111.3(3) . . ?
C4 C3 Si3 108.4(3) . . ?
C6 C3 Si3 110.2(3) . . ?
C3 C4 H1 109.5 . . ?
C3 C4 H2 109.5 . . ?
H1 C4 H2 109.5 . . ?
C3 C4 H3 109.5 . . ?
H1 C4 H3 109.5 . . ?
H2 C4 H3 109.5 . . ?
C3 C5 H4 109.5 . . ?
C3 C5 H5 109.5 . . ?
H4 C5 H5 109.5 . . ?
C3 C5 H6 109.5 . . ?
H4 C5 H6 109.5 . . ?
H5 C5 H6 109.5 . . ?
C3 C6 H7 109.5 . . ?
C3 C6 H8 109.5 . . ?
H7 C6 H8 109.5 . . ?
C3 C6 H9 109.5 . . ?
H7 C6 H9 109.5 . . ?
H8 C6 H9 109.5 . . ?
Si3 C7 H10 109.5 . . ?
Si3 C7 H11 109.5 . . ?
H10 C7 H11 109.5 . . ?
Si3 C7 H12 109.5 . . ?
H10 C7 H12 109.5 . . ?
H11 C7 H12 109.5 . . ?
Si3 C8 H13 109.5 . . ?
Si3 C8 H14 109.5 . . ?
H13 C8 H14 109.5 . . ?
Si3 C8 H15 109.5 . . ?
H13 C8 H15 109.5 . . ?
H14 C8 H15 109.5 . . ?
C13 Si4 C14 103.6(2) . . ?
C13 Si4 C9 108.53(18) . . ?
C14 Si4 C9 105.68(19) . . ?
C13 Si4 Si1 111.79(14) . . ?
C14 Si4 Si1 111.58(13) . . ?
C9 Si4 Si1 114.91(12) . . ?
C10 C9 C12 109.1(3) . . ?
C10 C9 C11 108.4(3) . . ?
C12 C9 C11 108.4(3) . . ?
C10 C9 Si4 110.5(3) . . ?
C12 C9 Si4 111.5(3) . . ?
C11 C9 Si4 108.8(3) . . ?
C9 C10 H16 109.5 . . ?
C9 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
C9 C10 H18 109.5 . . ?
H16 C10 H18 109.5 . . ?
H17 C10 H18 109.5 . . ?
C9 C11 H19 109.5 . . ?
C9 C11 H20 109.5 . . ?
H19 C11 H20 109.5 . . ?
C9 C11 H21 109.5 . . ?
H19 C11 H21 109.5 . . ?
H20 C11 H21 109.5 . . ?
C9 C12 H22 109.5 . . ?
C9 C12 H23 109.5 . . ?
H22 C12 H23 109.5 . . ?
C9 C12 H24 109.5 . . ?
H22 C12 H24 109.5 . . ?
H23 C12 H24 109.5 . . ?
Si4 C13 H25 109.5 . . ?
Si4 C13 H26 109.5 . . ?
H25 C13 H26 109.5 . . ?
Si4 C13 H27 109.5 . . ?
H25 C13 H27 109.5 . . ?
H26 C13 H27 109.5 . . ?
Si4 C14 H28 109.5 . . ?
Si4 C14 H29 109.5 . . ?
H28 C14 H29 109.5 . . ?
Si4 C14 H30 109.5 . . ?
H28 C14 H30 109.5 . . ?
H29 C14 H30 109.5 . . ?
C19 Si5 C20 103.12(19) . . ?
C19 Si5 C15 107.47(18) . . ?
C20 Si5 C15 106.32(17) . . ?
C19 Si5 Si2 112.73(14) . . ?
C20 Si5 Si2 111.40(13) . . ?
C15 Si5 Si2 114.94(12) . . ?
C17 C15 C18 109.0(3) . . ?
C17 C15 C16 108.5(3) . . ?
C18 C15 C16 108.6(3) . . ?
C17 C15 Si5 110.0(2) . . ?
C18 C15 Si5 111.1(3) . . ?
C16 C15 Si5 109.6(3) . . ?
C15 C16 H31 109.5 . . ?
C15 C16 H32 109.5 . . ?
H31 C16 H32 109.5 . . ?
C15 C16 H33 109.5 . . ?
H31 C16 H33 109.5 . . ?
H32 C16 H33 109.5 . . ?
C15 C17 H34 109.5 . . ?
C15 C17 H35 109.5 . . ?
H34 C17 H35 109.5 . . ?
C15 C17 H36 109.5 . . ?
H34 C17 H36 109.5 . . ?
H35 C17 H36 109.5 . . ?
C15 C18 H37 109.5 . . ?
C15 C18 H38 109.5 . . ?
H37 C18 H38 109.5 . . ?
C15 C18 H39 109.5 . . ?
H37 C18 H39 109.5 . . ?
H38 C18 H39 109.5 . . ?
Si5 C19 H40 109.5 . . ?
Si5 C19 H41 109.5 . . ?
H40 C19 H41 109.5 . . ?
Si5 C19 H42 109.5 . . ?
H40 C19 H42 109.5 . . ?
H41 C19 H42 109.5 . . ?
Si5 C20 H43 109.5 . . ?
Si5 C20 H44 109.5 . . ?
H43 C20 H44 109.5 . . ?
Si5 C20 H45 109.5 . . ?
H43 C20 H45 109.5 . . ?
H44 C20 H45 109.5 . . ?
C26 Si6 C25 104.57(19) . . ?
C26 Si6 C21 107.77(18) . . ?
C25 Si6 C21 107.76(18) . . ?
C26 Si6 Si2 111.13(13) . . ?
C25 Si6 Si2 105.86(13) . . ?
C21 Si6 Si2 118.78(13) . . ?
C22 C21 C23 108.6(4) . . ?
C22 C21 C24 108.7(4) . . ?
C23 C21 C24 107.5(4) . . ?
C22 C21 Si6 110.5(3) . . ?
C23 C21 Si6 112.6(3) . . ?
C24 C21 Si6 108.8(3) . . ?
C21 C22 H46 109.5 . . ?
C21 C22 H47 109.5 . . ?
H46 C22 H47 109.5 . . ?
C21 C22 H48 109.5 . . ?
H46 C22 H48 109.5 . . ?
H47 C22 H48 109.5 . . ?
C21 C23 H49 109.5 . . ?
C21 C23 H50 109.5 . . ?
H49 C23 H50 109.5 . . ?
C21 C23 H51 109.5 . . ?
H49 C23 H51 109.5 . . ?
H50 C23 H51 109.5 . . ?
C21 C24 H52 109.5 . . ?
C21 C24 H53 109.5 . . ?
H52 C24 H53 109.5 . . ?
C21 C24 H54 109.5 . . ?
H52 C24 H54 109.5 . . ?
H53 C24 H54 109.5 . . ?
Si6 C25 H55 109.5 . . ?
Si6 C25 H56 109.5 . . ?
H55 C25 H56 109.5 . . ?
Si6 C25 H57 109.5 . . ?
H55 C25 H57 109.5 . . ?
H56 C25 H57 109.5 . . ?
Si6 C26 H58 109.5 . . ?
Si6 C26 H59 109.5 . . ?
H58 C26 H59 109.5 . . ?
Si6 C26 H60 109.5 . . ?
H58 C26 H60 109.5 . . ?
H59 C26 H60 109.5 . . ?
C32 C27 C28 123.3(4) . . ?
C32 C27 N1 118.3(3) . . ?
C28 C27 N1 118.3(4) . . ?
C29 C28 C27 116.5(4) . . ?
C29 C28 C33 121.9(4) . . ?
C27 C28 C33 121.5(4) . . ?
C30 C29 C28 121.4(4) . . ?
C30 C29 H61 119.3 . . ?
C28 C29 H61 119.3 . . ?
C31 C30 C29 120.3(4) . . ?
C31 C30 H62 119.8 . . ?
C29 C30 H62 119.8 . . ?
C30 C31 C32 121.4(4) . . ?
C30 C31 H63 119.3 . . ?
C32 C31 H63 119.3 . . ?
C31 C32 C27 117.0(4) . . ?
C31 C32 C34 121.2(4) . . ?
C27 C32 C34 121.8(4) . . ?
C28 C33 H64 109.5 . . ?
C28 C33 H65 109.5 . . ?
H64 C33 H65 109.5 . . ?
C28 C33 H66 109.5 . . ?
H64 C33 H66 109.5 . . ?
H65 C33 H66 109.5 . . ?
C32 C34 H67 109.5 . . ?
C32 C34 H68 109.5 . . ?
H67 C34 H68 109.5 . . ?
C32 C34 H69 109.5 . . ?
H67 C34 H69 109.5 . . ?
H68 C34 H69 109.5 . . ?
C36 C35 C40 123.3(3) . . ?
C36 C35 N2 117.8(3) . . ?
C40 C35 N2 118.9(3) . . ?
C35 C36 C37 117.2(4) . . ?
C35 C36 C41 121.0(4) . . ?
C37 C36 C41 121.8(4) . . ?
C38 C37 C36 121.1(4) . . ?
C38 C37 H70 119.4 . . ?
C36 C37 H70 119.4 . . ?
C37 C38 C39 120.3(4) . . ?
C37 C38 H71 119.8 . . ?
C39 C38 H71 119.8 . . ?
C38 C39 C40 121.0(4) . . ?
C38 C39 H72 119.5 . . ?
C40 C39 H72 119.5 . . ?
C39 C40 C35 117.1(4) . . ?
C39 C40 C42 121.1(4) . . ?
C35 C40 C42 121.8(3) . . ?
C36 C41 H73 109.5 . . ?
C36 C41 H74 109.5 . . ?
H73 C41 H74 109.5 . . ?
C36 C41 H75 109.5 . . ?
H73 C41 H75 109.5 . . ?
H74 C41 H75 109.5 . . ?
C40 C42 H76 109.5 . . ?
C40 C42 H77 109.5 . . ?
H76 C42 H77 109.5 . . ?
C40 C42 H78 109.5 . . ?
H76 C42 H78 109.5 . . ?
H77 C42 H78 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 C1 2.014(4) . ?
Pd1 C2 2.029(4) . ?
Pd1 Si1 2.4340(11) . ?
Pd1 Si2 2.4411(11) . ?
Si1 Si2 2.2891(14) . ?
Si1 Si3 2.3681(15) . ?
Si1 Si4 2.3900(14) . ?
Si2 Si6 2.3694(15) . ?
Si2 Si5 2.3891(15) . ?
C1 N1 1.157(5) . ?
N1 C27 1.408(5) . ?
C2 N2 1.161(5) . ?
N2 C35 1.400(5) . ?
Si3 C7 1.881(4) . ?
Si3 C8 1.885(4) . ?
Si3 C3 1.925(4) . ?
C3 C5 1.522(5) . ?
C3 C4 1.529(5) . ?
C3 C6 1.531(6) . ?
C4 H1 0.9600 . ?
C4 H2 0.9600 . ?
C4 H3 0.9600 . ?
C5 H4 0.9600 . ?
C5 H5 0.9600 . ?
C5 H6 0.9600 . ?
C6 H7 0.9600 . ?
C6 H8 0.9600 . ?
C6 H9 0.9600 . ?
C7 H10 0.9600 . ?
C7 H11 0.9600 . ?
C7 H12 0.9600 . ?
C8 H13 0.9600 . ?
C8 H14 0.9600 . ?
C8 H15 0.9600 . ?
Si4 C13 1.872(4) . ?
Si4 C14 1.881(4) . ?
Si4 C9 1.924(4) . ?
C9 C10 1.521(5) . ?
C9 C12 1.528(5) . ?
C9 C11 1.541(5) . ?
C10 H16 0.9600 . ?
C10 H17 0.9600 . ?
C10 H18 0.9600 . ?
C11 H19 0.9600 . ?
C11 H20 0.9600 . ?
C11 H21 0.9600 . ?
C12 H22 0.9600 . ?
C12 H23 0.9600 . ?
C12 H24 0.9600 . ?
C13 H25 0.9600 . ?
C13 H26 0.9600 . ?
C13 H27 0.9600 . ?
C14 H28 0.9600 . ?
C14 H29 0.9600 . ?
C14 H30 0.9600 . ?
Si5 C19 1.883(4) . ?
Si5 C20 1.890(4) . ?
Si5 C15 1.922(4) . ?
C15 C17 1.524(5) . ?
C15 C18 1.531(5) . ?
C15 C16 1.533(5) . ?
C16 H31 0.9600 . ?
C16 H32 0.9600 . ?
C16 H33 0.9600 . ?
C17 H34 0.9600 . ?
C17 H35 0.9600 . ?
C17 H36 0.9600 . ?
C18 H37 0.9600 . ?
C18 H38 0.9600 . ?
C18 H39 0.9600 . ?
C19 H40 0.9600 . ?
C19 H41 0.9600 . ?
C19 H42 0.9600 . ?
C20 H43 0.9600 . ?
C20 H44 0.9600 . ?
C20 H45 0.9600 . ?
Si6 C26 1.877(4) . ?
Si6 C25 1.886(4) . ?
Si6 C21 1.919(4) . ?
C21 C22 1.519(6) . ?
C21 C23 1.528(6) . ?
C21 C24 1.534(6) . ?
C22 H46 0.9600 . ?
C22 H47 0.9600 . ?
C22 H48 0.9600 . ?
C23 H49 0.9600 . ?
C23 H50 0.9600 . ?
C23 H51 0.9600 . ?
C24 H52 0.9600 . ?
C24 H53 0.9600 . ?
C24 H54 0.9600 . ?
C25 H55 0.9600 . ?
C25 H56 0.9600 . ?
C25 H57 0.9600 . ?
C26 H58 0.9600 . ?
C26 H59 0.9600 . ?
C26 H60 0.9600 . ?
C27 C32 1.397(6) . ?
C27 C28 1.397(5) . ?
C28 C29 1.395(6) . ?
C28 C33 1.502(6) . ?
C29 C30 1.374(6) . ?
C29 H61 0.9300 . ?
C30 C31 1.370(6) . ?
C30 H62 0.9300 . ?
C31 C32 1.389(6) . ?
C31 H63 0.9300 . ?
C32 C34 1.492(6) . ?
C33 H64 0.9600 . ?
C33 H65 0.9600 . ?
C33 H66 0.9600 . ?
C34 H67 0.9600 . ?
C34 H68 0.9600 . ?
C34 H69 0.9600 . ?
C35 C36 1.386(5) . ?
C35 C40 1.394(5) . ?
C36 C37 1.390(5) . ?
C36 C41 1.500(5) . ?
C37 C38 1.376(6) . ?
C37 H70 0.9300 . ?
C38 C39 1.377(6) . ?
C38 H71 0.9300 . ?
C39 C40 1.390(5) . ?
C39 H72 0.9300 . ?
C40 C42 1.500(6) . ?
C41 H73 0.9600 . ?
C41 H74 0.9600 . ?
C41 H75 0.9600 . ?
C42 H76 0.9600 . ?
C42 H77 0.9600 . ?
C42 H78 0.9600 . ?
