#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:35:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178817 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/71/4107143.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_4107143
loop_
_publ_author_name
'Makoto Tanabe'
'Naoko Ishikawa'
'Mai Chiba'
'Tomohito Ide'
'Kohtaro Osakada'
'Tomoaki Tanase'
_publ_contact_author_email       kosakada@res.titech.ac.jp
_publ_contact_author_fax         +81-45-924-5224
_publ_contact_author_name        'Kohtaro Osakada'
_publ_contact_author_phone       +81-45-924-5223
_publ_section_title
;
 Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change
 of the Planar Pd4Ge3 Core
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18598
_journal_page_last               18601
_journal_paper_doi               10.1021/ja208565q
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C110 H136 Ge6 P6 Pd6 S2'
_chemical_formula_sum            'C110 H136 Ge6 P6 Pd6 S2'
_chemical_formula_weight         2782.19
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                98.179(9)
_cell_angle_beta                 99.519(7)
_cell_angle_gamma                102.421(8)
_cell_formula_units_Z            1
_cell_length_a                   13.830(7)
_cell_length_b                   14.631(8)
_cell_length_c                   16.860(8)
_cell_measurement_reflns_used    8732
_cell_measurement_temperature    163
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.07
_cell_volume                     3229(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 3.8'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      163
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26252
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.332
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_description       prism
_exptl_crystal_F_000             1386.00
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.830
_refine_diff_density_min         -1.600
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     590
_refine_ls_number_reflns         14137
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0789
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1391P)²+12.7702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2363
_refine_ls_wR_factor_ref         0.2672
_reflns_number_gt                9787
_reflns_number_total             14137
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja208565q_si_002_3.cif
_cod_data_source_block           '_complex3'
_cod_database_code               4107143
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Pd1 Pd 0.38760(5) 0.34026(5) 0.72331(4) 0.0405(2) Uani 1.0 2 d .
Pd2 Pd 0.57865(5) 0.34436(5) 0.81233(4) 0.03799(19) Uani 1.0 2 d .
Pd3 Pd 0.78139(5) 0.36278(5) 0.87460(4) 0.03953(19) Uani 1.0 2 d .
Ge1 Ge 0.42248(7) 0.25857(7) 0.83707(6) 0.0375(3) Uani 1.0 2 d .
Ge2 Ge 0.70602(7) 0.40988(7) 0.74020(6) 0.0409(3) Uani 1.0 2 d .
Ge3 Ge 0.64202(7) 0.27715(7) 0.92453(6) 0.0383(3) Uani 1.0 2 d .
S1 S 0.88556(18) 0.40601(18) 0.77139(16) 0.0470(6) Uani 1.0 2 d .
P1 P 0.3602(3) 0.3956(3) 0.60130(16) 0.0528(7) Uani 1.0 2 d .
P2 P 0.21894(19) 0.2925(2) 0.70983(18) 0.0518(7) Uani 1.0 2 d .
P3 P 0.90320(19) 0.3524(2) 0.97902(17) 0.0476(6) Uani 1.0 2 d .
C1 C 0.3574(7) 0.2839(7) 0.9285(6) 0.041(2) Uani 1.0 2 d .
C2 C 0.2784(8) 0.2181(7) 0.9459(6) 0.045(2) Uani 1.0 2 d .
C3 C 0.2300(9) 0.2404(9) 1.0103(8) 0.060(3) Uani 1.0 2 d .
C4 C 0.2602(9) 0.3295(9) 1.0578(7) 0.063(3) Uani 1.0 2 d .
C5 C 0.3378(9) 0.3950(9) 1.0429(7) 0.059(3) Uani 1.0 2 d .
C6 C 0.3864(8) 0.3730(7) 0.9796(6) 0.042(2) Uani 1.0 2 d .
C7 C 0.3898(7) 0.1193(7) 0.7982(7) 0.047(3) Uani 1.0 2 d .
C8 C 0.3878(8) 0.0541(7) 0.8513(7) 0.049(3) Uani 1.0 2 d .
C9 C 0.3760(11) -0.0422(9) 0.8238(8) 0.067(4) Uani 1.0 2 d .
C10 C 0.3662(13) -0.0747(9) 0.7402(9) 0.082(5) Uani 1.0 2 d .
C11 C 0.3709(11) -0.0105(9) 0.6879(8) 0.070(4) Uani 1.0 2 d .
C12 C 0.3811(9) 0.0848(8) 0.7160(6) 0.053(3) Uani 1.0 2 d .
C13 C 0.7275(8) 0.5440(8) 0.7277(7) 0.051(3) Uani 1.0 2 d .
C14 C 0.6514(9) 0.5904(9) 0.7335(8) 0.060(3) Uani 1.0 2 d .
C15 C 0.6601(11) 0.6836(9) 0.7248(9) 0.071(4) Uani 1.0 2 d .
C16 C 0.7490(12) 0.7346(10) 0.7114(9) 0.079(4) Uani 1.0 2 d .
C17 C 0.8253(11) 0.6966(10) 0.7073(13) 0.103(7) Uani 1.0 2 d .
C18 C 0.8143(11) 0.5987(11) 0.7134(13) 0.102(6) Uani 1.0 2 d .
C19 C 0.6721(8) 0.3319(8) 0.6289(7) 0.054(3) Uani 1.0 2 d .
C20 C 0.6119(9) 0.2402(9) 0.6157(8) 0.066(4) Uani 1.0 2 d .
C21 C 0.5837(13) 0.1813(13) 0.5422(10) 0.096(6) Uani 1.0 2 d .
C22 C 0.610(2) 0.2109(18) 0.4779(12) 0.150(12) Uani 1.0 2 d .
C23 C 0.6767(17) 0.3061(18) 0.4868(9) 0.122(8) Uani 1.0 2 d .
C24 C 0.7022(11) 0.3619(11) 0.5616(7) 0.074(4) Uani 1.0 2 d .
C25 C 0.6194(7) 0.3094(7) 1.0346(6) 0.041(2) Uani 1.0 2 d .
C26 C 0.6486(8) 0.4039(8) 1.0772(7) 0.050(3) Uani 1.0 2 d .
C27 C 0.6220(9) 0.4293(9) 1.1523(7) 0.060(3) Uani 1.0 2 d .
C28 C 0.5690(9) 0.3601(9) 1.1868(7) 0.061(3) Uani 1.0 2 d .
C29 C 0.5401(9) 0.2656(8) 1.1478(7) 0.056(3) Uani 1.0 2 d .
C30 C 0.5652(8) 0.2410(8) 1.0725(7) 0.048(3) Uani 1.0 2 d .
C31 C 0.6567(7) 0.1442(7) 0.9095(6) 0.042(2) Uani 1.0 2 d .
C32 C 0.6359(8) 0.0920(8) 0.8305(7) 0.051(3) Uani 1.0 2 d .
C33 C 0.6489(10) 0.0004(9) 0.8155(8) 0.064(3) Uani 1.0 2 d .
C34 C 0.6827(10) -0.0399(9) 0.8802(10) 0.069(4) Uani 1.0 2 d .
C35 C 0.7079(9) 0.0120(8) 0.9598(8) 0.062(3) Uani 1.0 2 d .
C36 C 0.6930(8) 0.1029(7) 0.9735(7) 0.051(3) Uani 1.0 2 d .
C37 C 0.8747(7) 0.2912(7) 0.7145(6) 0.045(3) Uani 1.0 2 d .
C38 C 0.8972(8) 0.2823(8) 0.6379(7) 0.052(3) Uani 1.0 2 d .
C39 C 0.8846(8) 0.1926(9) 0.5907(7) 0.056(3) Uani 1.0 2 d .
C40 C 0.8501(8) 0.1097(8) 0.6174(7) 0.053(3) Uani 1.0 2 d .
C41 C 0.8277(8) 0.1190(8) 0.6939(8) 0.058(3) Uani 1.0 2 d .
C42 C 0.8397(8) 0.2071(8) 0.7425(7) 0.055(3) Uani 1.0 2 d .
C43 C 0.8280(11) 0.0087(10) 0.5652(8) 0.072(4) Uani 1.0 2 d .
C44 C 0.7155(14) -0.0342(12) 0.5471(11) 0.114(7) Uani 1.0 2 d .
C45 C 0.8593(16) 0.0137(12) 0.4844(10) 0.110(7) Uani 1.0 2 d .
C46 C 0.8865(14) -0.0499(10) 0.6110(9) 0.089(5) Uani 1.0 2 d .
C47 C 0.4140(15) 0.5117(11) 0.5828(10) 0.105(6) Uani 1.0 2 d .
C48 C 0.3879(12) 0.3214(10) 0.5158(8) 0.078(4) Uani 1.0 2 d .
C49 C 0.1668(10) 0.3729(11) 0.7738(10) 0.091(5) Uani 1.0 2 d .
C50 C 0.1487(8) 0.1757(8) 0.7165(7) 0.061(3) Uani 1.0 2 d .
C51 C 0.2247(11) 0.3858(11) 0.5731(10) 0.084(4) Uani 1.0 2 d .
C52 C 0.1657(10) 0.3035(12) 0.6035(9) 0.088(5) Uani 1.0 2 d .
C53 C 0.8882(9) 0.3549(10) 1.0842(8) 0.072(4) Uani 1.0 2 d .
C54 C 0.9558(9) 0.2488(9) 0.9595(9) 0.072(4) Uani 1.0 2 d .
C55 C 1.0134(8) 0.4528(7) 0.9915(7) 0.048(3) Uani 1.0 2 d .
H1 H 0.547(11) 0.409(10) 0.717(9) 0.11(5) Uiso 1.0 2 d .
H2 H 0.2565 0.1562 0.9131 0.0534 Uiso 1.0 2 calc R
H3 H 0.1765 0.1940 1.0210 0.0724 Uiso 1.0 2 calc R
H4 H 0.2271 0.3455 1.1009 0.0754 Uiso 1.0 2 calc R
H5 H 0.3591 0.4566 1.0763 0.0709 Uiso 1.0 2 calc R
H6 H 0.4409 0.4199 0.9708 0.0509 Uiso 1.0 2 calc R
H7 H 0.3948 0.0767 0.9081 0.0591 Uiso 1.0 2 calc R
H8 H 0.3745 -0.0852 0.8611 0.0807 Uiso 1.0 2 calc R
H9 H 0.3565 -0.1407 0.7196 0.0988 Uiso 1.0 2 calc R
H10 H 0.3669 -0.0324 0.6314 0.0843 Uiso 1.0 2 calc R
H11 H 0.3822 0.1274 0.6784 0.0632 Uiso 1.0 2 calc R
H12 H 0.5897 0.5561 0.7441 0.0717 Uiso 1.0 2 calc R
H13 H 0.6050 0.7121 0.7282 0.0846 Uiso 1.0 2 calc R
H14 H 0.7552 0.7989 0.7049 0.0946 Uiso 1.0 2 calc R
H15 H 0.8877 0.7336 0.7002 0.1240 Uiso 1.0 2 calc R
H16 H 0.8691 0.5706 0.7074 0.1225 Uiso 1.0 2 calc R
H17 H 0.5892 0.2173 0.6611 0.0787 Uiso 1.0 2 calc R
H18 H 0.5443 0.1182 0.5373 0.1152 Uiso 1.0 2 calc R
H19 H 0.5868 0.1711 0.4255 0.1804 Uiso 1.0 2 calc R
H20 H 0.7009 0.3276 0.4415 0.1459 Uiso 1.0 2 calc R
H21 H 0.7429 0.4247 0.5678 0.0891 Uiso 1.0 2 calc R
H22 H 0.6872 0.4516 1.0545 0.0597 Uiso 1.0 2 calc R
H23 H 0.6405 0.4940 1.1793 0.0718 Uiso 1.0 2 calc R
H24 H 0.5520 0.3774 1.2382 0.0731 Uiso 1.0 2 calc R
H25 H 0.5036 0.2183 1.1722 0.0669 Uiso 1.0 2 calc R
H26 H 0.5452 0.1762 1.0458 0.0579 Uiso 1.0 2 calc R
H27 H 0.6121 0.1198 0.7859 0.0606 Uiso 1.0 2 calc R
H28 H 0.6347 -0.0342 0.7611 0.0773 Uiso 1.0 2 calc R
H29 H 0.6889 -0.1038 0.8705 0.0831 Uiso 1.0 2 calc R
H30 H 0.7350 -0.0147 1.0041 0.0745 Uiso 1.0 2 calc R
H31 H 0.7079 0.1377 1.0279 0.0612 Uiso 1.0 2 calc R
H32 H 0.9215 0.3378 0.6168 0.0624 Uiso 1.0 2 calc R
H33 H 0.9007 0.1888 0.5379 0.0675 Uiso 1.0 2 calc R
H34 H 0.8032 0.0631 0.7144 0.0700 Uiso 1.0 2 calc R
H35 H 0.8239 0.2104 0.7954 0.0660 Uiso 1.0 2 calc R
H36 H 0.6979 -0.0692 0.5901 0.1368 Uiso 1.0 2 calc R
H37 H 0.6960 -0.0779 0.4942 0.1368 Uiso 1.0 2 calc R
H38 H 0.6796 0.0166 0.5451 0.1368 Uiso 1.0 2 calc R
H39 H 0.8028 0.0211 0.4444 0.1323 Uiso 1.0 2 calc R
H40 H 0.8783 -0.0451 0.4650 0.1323 Uiso 1.0 2 calc R
H41 H 0.9172 0.0682 0.4910 0.1323 Uiso 1.0 2 calc R
H42 H 0.9532 -0.0425 0.5966 0.1071 Uiso 1.0 2 calc R
H43 H 0.8498 -0.1171 0.5962 0.1071 Uiso 1.0 2 calc R
H44 H 0.8946 -0.0282 0.6700 0.1071 Uiso 1.0 2 calc R
H45 H 0.3697 0.5539 0.5939 0.1255 Uiso 1.0 2 calc R
H46 H 0.4211 0.5070 0.5255 0.1255 Uiso 1.0 2 calc R
H47 H 0.4807 0.5376 0.6188 0.1255 Uiso 1.0 2 calc R
H48 H 0.4589 0.3440 0.5125 0.0932 Uiso 1.0 2 calc R
H49 H 0.3443 0.3251 0.4648 0.0932 Uiso 1.0 2 calc R
H50 H 0.3754 0.2552 0.5240 0.0932 Uiso 1.0 2 calc R
H51 H 0.1660 0.3532 0.8269 0.1089 Uiso 1.0 2 calc R
H52 H 0.0976 0.3707 0.7469 0.1089 Uiso 1.0 2 calc R
H53 H 0.2086 0.4380 0.7820 0.1089 Uiso 1.0 2 calc R
H54 H 0.1301 0.1350 0.6622 0.0731 Uiso 1.0 2 calc R
H55 H 0.0874 0.1809 0.7369 0.0731 Uiso 1.0 2 calc R
H56 H 0.1907 0.1476 0.7541 0.0731 Uiso 1.0 2 calc R
H57 H 0.2094 0.4456 0.5970 0.1006 Uiso 1.0 2 calc R
H58 H 0.2042 0.3764 0.5129 0.1006 Uiso 1.0 2 calc R
H59 H 0.1624 0.2437 0.5661 0.1052 Uiso 1.0 2 calc R
H60 H 0.0957 0.3104 0.6010 0.1052 Uiso 1.0 2 calc R
H61 H 0.9085 0.4208 1.1139 0.0861 Uiso 1.0 2 calc R
H62 H 0.9307 0.3176 1.1105 0.0861 Uiso 1.0 2 calc R
H63 H 0.8172 0.3275 1.0850 0.0861 Uiso 1.0 2 calc R
H64 H 0.9166 0.1952 0.9786 0.0864 Uiso 1.0 2 calc R
H65 H 1.0264 0.2643 0.9887 0.0864 Uiso 1.0 2 calc R
H66 H 0.9527 0.2315 0.9006 0.0864 Uiso 1.0 2 calc R
H67 H 1.0664 0.4487 1.0372 0.0574 Uiso 1.0 2 calc R
H68 H 1.0413 0.4487 0.9410 0.0574 Uiso 1.0 2 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Pd2 Pd1 Ge1 53.70(4) yes . .
Pd2 Pd1 P1 124.29(9) yes . .
Pd2 Pd1 P2 147.18(10) yes . .
Ge1 Pd1 P1 169.98(9) yes . .
Ge1 Pd1 P2 93.60(9) yes . .
P1 Pd1 P2 88.37(12) yes . .
Pd1 Pd2 Pd3 168.54(4) yes . .
Pd1 Pd2 Ge1 55.36(5) yes . .
Pd1 Pd2 Ge2 109.20(5) yes . .
Pd1 Pd2 Ge3 136.02(4) yes . .
Pd3 Pd2 Ge1 135.64(5) yes . .
Pd3 Pd2 Ge2 59.35(5) yes . .
Pd3 Pd2 Ge3 55.13(4) yes . .
Ge1 Pd2 Ge2 160.49(5) yes . .
Ge1 Pd2 Ge3 80.66(5) yes . .
Ge2 Pd2 Ge3 113.74(6) yes . .
Pd2 Pd3 Ge2 53.45(3) yes . .
Pd2 Pd3 Ge3 54.24(5) yes . .
Pd2 Pd3 S1 110.71(7) yes . .
Pd2 Pd3 P3 148.65(9) yes . .
Ge2 Pd3 Ge3 107.03(5) yes . .
Ge2 Pd3 S1 58.02(8) yes . .
Ge2 Pd3 P3 157.46(9) yes . .
Ge3 Pd3 S1 156.64(6) yes . .
Ge3 Pd3 P3 95.51(9) yes . .
S1 Pd3 P3 100.60(11) yes . .
Pd1 Ge1 Pd2 70.94(5) yes . .
Pd1 Ge1 C1 116.8(3) yes . .
Pd1 Ge1 C7 110.6(3) yes . .
Pd2 Ge1 C1 129.1(3) yes . .
Pd2 Ge1 C7 115.0(3) yes . .
C1 Ge1 C7 108.5(5) yes . .
Pd2 Ge2 Pd3 67.20(5) yes . .
Pd2 Ge2 S1 125.51(9) yes . .
Pd2 Ge2 C13 119.6(4) yes . .
Pd2 Ge2 C19 107.1(4) yes . .
Pd3 Ge2 S1 59.33(8) yes . .
Pd3 Ge2 C13 121.4(3) yes . .
Pd3 Ge2 C19 127.2(4) yes . .
S1 Ge2 C13 97.3(4) yes . .
S1 Ge2 C19 97.1(4) yes . .
C13 Ge2 C19 107.1(5) yes . .
Pd2 Ge3 Pd3 70.63(5) yes . .
Pd2 Ge3 C25 123.9(4) yes . .
Pd2 Ge3 C31 121.7(3) yes . .
Pd3 Ge3 C25 123.7(3) yes . .
Pd3 Ge3 C31 104.1(3) yes . .
C25 Ge3 C31 107.3(5) yes . .
Pd3 S1 Ge2 62.64(8) yes . .
Pd3 S1 C37 100.2(4) yes . .
Ge2 S1 C37 98.4(3) yes . .
Pd1 P1 C47 127.1(5) yes . .
Pd1 P1 C48 113.4(5) yes . .
Pd1 P1 C51 106.9(6) yes . .
C47 P1 C48 100.2(8) yes . .
C47 P1 C51 102.5(9) yes . .
C48 P1 C51 104.3(7) yes . .
Pd1 P2 C49 113.4(4) yes . .
Pd1 P2 C50 126.1(5) yes . .
Pd1 P2 C52 105.1(5) yes . .
C49 P2 C50 103.7(7) yes . .
C49 P2 C52 103.8(8) yes . .
C50 P2 C52 102.2(6) yes . .
Pd3 P3 C53 124.6(5) yes . .
Pd3 P3 C54 114.2(5) yes . .
Pd3 P3 C55 109.1(4) yes . .
C53 P3 C54 102.3(7) yes . .
C53 P3 C55 101.2(5) yes . .
C54 P3 C55 102.9(5) yes . .
Ge1 C1 C2 123.7(7) yes . .
Ge1 C1 C6 120.3(7) yes . .
C2 C1 C6 116.0(9) yes . .
C1 C2 C3 122.1(9) yes . .
C2 C3 C4 119.6(11) yes . .
C3 C4 C5 119.8(12) yes . .
C4 C5 C6 120.8(10) yes . .
C1 C6 C5 121.8(9) yes . .
Ge1 C7 C8 122.8(8) yes . .
Ge1 C7 C12 119.0(9) yes . .
C8 C7 C12 117.7(10) yes . .
C7 C8 C9 122.2(11) yes . .
C8 C9 C10 118.6(12) yes . .
C9 C10 C11 119.4(12) yes . .
C10 C11 C12 121.2(12) yes . .
C7 C12 C11 120.9(11) yes . .
Ge2 C13 C14 119.9(9) yes . .
Ge2 C13 C18 125.5(11) yes . .
C14 C13 C18 114.6(12) yes . .
C13 C14 C15 123.4(12) yes . .
C14 C15 C16 119.1(14) yes . .
C15 C16 C17 121.2(14) yes . .
C16 C17 C18 119.3(14) yes . .
C13 C18 C17 122.3(15) yes . .
Ge2 C19 C20 119.0(10) yes . .
Ge2 C19 C24 125.0(9) yes . .
C20 C19 C24 115.9(11) yes . .
C19 C20 C21 123.8(14) yes . .
C20 C21 C22 120.1(17) yes . .
C21 C22 C23 119.6(17) yes . .
C22 C23 C24 117.6(17) yes . .
C19 C24 C23 122.8(15) yes . .
Ge3 C25 C26 121.1(8) yes . .
Ge3 C25 C30 121.8(7) yes . .
C26 C25 C30 116.8(10) yes . .
C25 C26 C27 121.4(10) yes . .
C26 C27 C28 119.5(11) yes . .
C27 C28 C29 121.1(12) yes . .
C28 C29 C30 119.1(11) yes . .
C25 C30 C29 121.9(10) yes . .
Ge3 C31 C32 118.4(8) yes . .
Ge3 C31 C36 123.1(7) yes . .
C32 C31 C36 118.3(10) yes . .
C31 C32 C33 121.4(11) yes . .
C32 C33 C34 119.3(11) yes . .
C33 C34 C35 120.6(12) yes . .
C34 C35 C36 119.0(12) yes . .
C31 C36 C35 121.3(10) yes . .
S1 C37 C38 119.8(9) yes . .
S1 C37 C42 123.1(9) yes . .
C38 C37 C42 117.1(10) yes . .
C37 C38 C39 120.6(11) yes . .
C38 C39 C40 122.8(11) yes . .
C39 C40 C41 116.3(11) yes . .
C39 C40 C43 124.7(11) yes . .
C41 C40 C43 118.8(11) yes . .
C40 C41 C42 122.3(12) yes . .
C37 C42 C41 120.8(12) yes . .
C40 C43 C44 108.8(13) yes . .
C40 C43 C45 110.6(12) yes . .
C40 C43 C46 108.8(10) yes . .
C44 C43 C45 107.1(13) yes . .
C44 C43 C46 112.3(13) yes . .
C45 C43 C46 109.2(15) yes . .
P1 C51 C52 110.7(12) yes . .
P2 C52 C51 114.7(9) yes . .
P3 C55 C55 111.8(8) yes . 2_767
Pd2 Pd1 H1 45(4) no . .
Ge1 Pd1 H1 99(4) no . .
P1 Pd1 H1 80(4) no . .
P2 Pd1 H1 167(4) no . .
Pd1 Pd2 H1 52(5) no . .
Pd3 Pd2 H1 116(5) no . .
Ge1 Pd2 H1 108(4) no . .
Ge2 Pd2 H1 58(5) no . .
Ge3 Pd2 H1 172(5) no . .
Pd2 Ge2 H1 52(5) no . .
Pd3 Ge2 H1 118(5) no . .
S1 Ge2 H1 177(4) no . .
C13 Ge2 H1 85(4) no . .
C19 Ge2 H1 84(4) no . .
C1 C2 H2 118.957 no . .
C3 C2 H2 118.953 no . .
C2 C3 H3 120.210 no . .
C4 C3 H3 120.222 no . .
C3 C4 H4 120.099 no . .
C5 C4 H4 120.096 no . .
C4 C5 H5 119.620 no . .
C6 C5 H5 119.597 no . .
C1 C6 H6 119.118 no . .
C5 C6 H6 119.116 no . .
C7 C8 H7 118.905 no . .
C9 C8 H7 118.904 no . .
C8 C9 H8 120.699 no . .
C10 C9 H8 120.690 no . .
C9 C10 H9 120.296 no . .
C11 C10 H9 120.275 no . .
C10 C11 H10 119.399 no . .
C12 C11 H10 119.394 no . .
C7 C12 H11 119.569 no . .
C11 C12 H11 119.570 no . .
C13 C14 H12 118.285 no . .
C15 C14 H12 118.293 no . .
C14 C15 H13 120.437 no . .
C16 C15 H13 120.444 no . .
C15 C16 H14 119.421 no . .
C17 C16 H14 119.421 no . .
C16 C17 H15 120.368 no . .
C18 C17 H15 120.355 no . .
C13 C18 H16 118.824 no . .
C17 C18 H16 118.829 no . .
C19 C20 H17 118.083 no . .
C21 C20 H17 118.080 no . .
C20 C21 H18 119.980 no . .
C22 C21 H18 119.966 no . .
C21 C22 H19 120.182 no . .
C23 C22 H19 120.184 no . .
C22 C23 H20 121.200 no . .
C24 C23 H20 121.202 no . .
C19 C24 H21 118.590 no . .
C23 C24 H21 118.591 no . .
C25 C26 H22 119.280 no . .
C27 C26 H22 119.284 no . .
C26 C27 H23 120.247 no . .
C28 C27 H23 120.233 no . .
C27 C28 H24 119.434 no . .
C29 C28 H24 119.419 no . .
C28 C29 H25 120.455 no . .
C30 C29 H25 120.444 no . .
C25 C30 H26 119.029 no . .
C29 C30 H26 119.033 no . .
C31 C32 H27 119.311 no . .
C33 C32 H27 119.319 no . .
C32 C33 H28 120.364 no . .
C34 C33 H28 120.365 no . .
C33 C34 H29 119.678 no . .
C35 C34 H29 119.686 no . .
C34 C35 H30 120.492 no . .
C36 C35 H30 120.499 no . .
C31 C36 H31 119.347 no . .
C35 C36 H31 119.345 no . .
C37 C38 H32 119.687 no . .
C39 C38 H32 119.696 no . .
C38 C39 H33 118.600 no . .
C40 C39 H33 118.601 no . .
C40 C41 H34 118.825 no . .
C42 C41 H34 118.831 no . .
C37 C42 H35 119.594 no . .
C41 C42 H35 119.608 no . .
C43 C44 H36 109.473 no . .
C43 C44 H37 109.480 no . .
C43 C44 H38 109.475 no . .
H36 C44 H37 109.464 no . .
H36 C44 H38 109.462 no . .
H37 C44 H38 109.474 no . .
C43 C45 H39 109.462 no . .
C43 C45 H40 109.466 no . .
C43 C45 H41 109.464 no . .
H39 C45 H40 109.476 no . .
H39 C45 H41 109.483 no . .
H40 C45 H41 109.477 no . .
C43 C46 H42 109.470 no . .
C43 C46 H43 109.466 no . .
C43 C46 H44 109.468 no . .
H42 C46 H43 109.475 no . .
H42 C46 H44 109.474 no . .
H43 C46 H44 109.474 no . .
P1 C47 H45 109.480 no . .
P1 C47 H46 109.470 no . .
P1 C47 H47 109.468 no . .
H45 C47 H46 109.472 no . .
H45 C47 H47 109.466 no . .
H46 C47 H47 109.471 no . .
P1 C48 H48 109.470 no . .
P1 C48 H49 109.478 no . .
P1 C48 H50 109.462 no . .
H48 C48 H49 109.481 no . .
H48 C48 H50 109.461 no . .
H49 C48 H50 109.475 no . .
P2 C49 H51 109.471 no . .
P2 C49 H52 109.473 no . .
P2 C49 H53 109.482 no . .
H51 C49 H52 109.458 no . .
H51 C49 H53 109.465 no . .
H52 C49 H53 109.478 no . .
P2 C50 H54 109.465 no . .
P2 C50 H55 109.471 no . .
P2 C50 H56 109.472 no . .
H54 C50 H55 109.470 no . .
H54 C50 H56 109.471 no . .
H55 C50 H56 109.478 no . .
P1 C51 H57 109.518 no . .
P1 C51 H58 109.509 no . .
C52 C51 H57 109.529 no . .
C52 C51 H58 109.510 no . .
H57 C51 H58 108.078 no . .
P2 C52 H59 108.599 no . .
P2 C52 H60 108.594 no . .
C51 C52 H59 108.609 no . .
C51 C52 H60 108.604 no . .
H59 C52 H60 107.565 no . .
P3 C53 H61 109.464 no . .
P3 C53 H62 109.471 no . .
P3 C53 H63 109.471 no . .
H61 C53 H62 109.480 no . .
H61 C53 H63 109.469 no . .
H62 C53 H63 109.473 no . .
P3 C54 H64 109.476 no . .
P3 C54 H65 109.474 no . .
P3 C54 H66 109.474 no . .
H64 C54 H65 109.471 no . .
H64 C54 H66 109.464 no . .
H65 C54 H66 109.469 no . .
P3 C55 H67 109.249 no . .
P3 C55 H68 109.245 no . .
C55 C55 H67 109.253 no 2_767 .
C55 C55 H68 109.240 no 2_767 .
H67 C55 H68 107.935 no . .
Pd1 H1 Pd2 82(6) no . .
Pd1 H1 Ge2 150(8) no . .
Pd2 H1 Ge2 70(5) no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pd1 Pd2 2.7986(15) yes .
Pd1 Ge1 2.4360(16) yes .
Pd1 P1 2.319(4) yes .
Pd1 P2 2.249(3) yes .
Pd2 Pd3 2.7672(16) yes .
Pd2 Ge1 2.3864(15) yes .
Pd2 Ge2 2.4113(15) yes .
Pd2 Ge3 2.3801(16) yes .
Pd3 Ge2 2.5822(16) yes .
Pd3 Ge3 2.4065(15) yes .
Pd3 S1 2.501(3) yes .
Pd3 P3 2.273(3) yes .
Ge1 C1 1.939(10) yes .
Ge1 C7 1.978(10) yes .
Ge2 S1 2.466(3) yes .
Ge2 C13 1.967(12) yes .
Ge2 C19 1.978(11) yes .
Ge3 C25 1.942(10) yes .
Ge3 C31 1.985(10) yes .
S1 C37 1.774(11) yes .
P1 C47 1.795(16) yes .
P1 C48 1.822(15) yes .
P1 C51 1.825(15) yes .
P2 C49 1.825(17) yes .
P2 C50 1.804(12) yes .
P2 C52 1.864(16) yes .
P3 C53 1.815(14) yes .
P3 C54 1.829(14) yes .
P3 C55 1.836(9) yes .
C1 C2 1.394(14) yes .
C1 C6 1.394(12) yes .
C2 C3 1.403(17) yes .
C3 C4 1.367(17) yes .
C4 C5 1.360(17) yes .
C5 C6 1.389(17) yes .
C7 C8 1.396(16) yes .
C7 C12 1.381(15) yes .
C8 C9 1.384(16) yes .
C9 C10 1.40(2) yes .
C10 C11 1.38(2) yes .
C11 C12 1.376(17) yes .
C13 C14 1.380(18) yes .
C13 C18 1.370(19) yes .
C14 C15 1.373(18) yes .
C15 C16 1.37(2) yes .
C16 C17 1.30(3) yes .
C17 C18 1.43(3) yes .
C19 C20 1.384(16) yes .
C19 C24 1.369(18) yes .
C20 C21 1.350(19) yes .
C21 C22 1.30(3) yes .
C22 C23 1.47(4) yes .
C23 C24 1.35(2) yes .
C25 C26 1.405(13) yes .
C25 C30 1.411(15) yes .
C26 C27 1.399(17) yes .
C27 C28 1.374(18) yes .
C28 C29 1.385(16) yes .
C29 C30 1.389(16) yes .
C31 C32 1.389(14) yes .
C31 C36 1.384(16) yes .
C32 C33 1.383(18) yes .
C33 C34 1.37(2) yes .
C34 C35 1.394(19) yes .
C35 C36 1.383(17) yes .
C37 C38 1.374(16) yes .
C37 C42 1.399(16) yes .
C38 C39 1.395(16) yes .
C39 C40 1.371(17) yes .
C40 C41 1.371(18) yes .
C40 C43 1.548(17) yes .
C41 C42 1.387(16) yes .
C43 C44 1.51(3) yes .
C43 C45 1.50(3) yes .
C43 C46 1.51(3) yes .
C51 C52 1.51(3) yes .
C55 C55 1.506(15) yes 2_767
Pd1 H1 2.24(15) no .
Pd2 H1 2.01(16) no .
Ge2 H1 2.17(16) no .
C2 H2 0.950 no .
C3 H3 0.950 no .
C4 H4 0.950 no .
C5 H5 0.950 no .
C6 H6 0.950 no .
C8 H7 0.950 no .
C9 H8 0.950 no .
C10 H9 0.950 no .
C11 H10 0.950 no .
C12 H11 0.950 no .
C14 H12 0.950 no .
C15 H13 0.950 no .
C16 H14 0.950 no .
C17 H15 0.950 no .
C18 H16 0.950 no .
C20 H17 0.950 no .
C21 H18 0.950 no .
C22 H19 0.950 no .
C23 H20 0.950 no .
C24 H21 0.950 no .
C26 H22 0.950 no .
C27 H23 0.950 no .
C28 H24 0.950 no .
C29 H25 0.950 no .
C30 H26 0.950 no .
C32 H27 0.950 no .
C33 H28 0.950 no .
C34 H29 0.950 no .
C35 H30 0.950 no .
C36 H31 0.950 no .
C38 H32 0.950 no .
C39 H33 0.950 no .
C41 H34 0.950 no .
C42 H35 0.950 no .
C44 H36 0.980 no .
C44 H37 0.980 no .
C44 H38 0.980 no .
C45 H39 0.980 no .
C45 H40 0.980 no .
C45 H41 0.980 no .
C46 H42 0.980 no .
C46 H43 0.980 no .
C46 H44 0.980 no .
C47 H45 0.980 no .
C47 H46 0.980 no .
C47 H47 0.980 no .
C48 H48 0.980 no .
C48 H49 0.980 no .
C48 H50 0.980 no .
C49 H51 0.980 no .
C49 H52 0.980 no .
C49 H53 0.980 no .
C50 H54 0.980 no .
C50 H55 0.980 no .
C50 H56 0.980 no .
C51 H57 0.990 no .
C51 H58 0.990 no .
C52 H59 0.990 no .
C52 H60 0.990 no .
C53 H61 0.980 no .
C53 H62 0.980 no .
C53 H63 0.980 no .
C54 H64 0.980 no .
C54 H65 0.980 no .
C54 H66 0.980 no .
C55 H67 0.990 no .
C55 H68 0.990 no .
