#------------------------------------------------------------------------------
#$Date: 2015-12-31 14:29:25 +0200 (Thu, 31 Dec 2015) $
#$Revision: 171772 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/72/7117293.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_7117293
loop_
_publ_author_name
'Norio Nakata'
'Noriko Sekizawa'
'Akihiko Ishii'
_publ_section_title
;
 Cationic dinuclear platinum and palladium complexes with bridging
 hydrogermylene and hydrido ligands
;
_journal_name_full               Chem.Commun.
_journal_page_first              10111
_journal_paper_doi               10.1039/C5cc03062E
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety
'C72 H110 Cl Ge P4 Pd2, C18 H B F15, C6 H5 F '
_chemical_formula_sum            'C96 H116 B Cl F16 Ge P4 Pd2'
_chemical_formula_weight         2029.42
_chemical_name_systematic
;
C72 H110 Cl Ge P4 Pd2, C18 H B F15, C6 H5 F
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-23 deposited with the CCDC.
2015-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.942(3)
_cell_length_b                   32.139(4)
_cell_length_c                   11.1842(15)
_cell_measurement_temperature    100(2)
_cell_volume                     8965(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX-II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayered confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_sigmaI/netI    0.0748
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            43897
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.9307
_exptl_absorpt_correction_T_min  0.9144
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4168
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.086
_refine_diff_density_min         -0.927
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.016(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1149
_refine_ls_number_reflns         15938
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0804P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1288
_reflns_number_gt                13945
_reflns_number_total             15938
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03062e2.cif
_cod_data_source_block           naka137
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3392 2015-05-12 13:50:21Z andrius 
;
_cod_original_cell_volume        8966(2)
_cod_database_code               7117293
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.749014(14) 0.464557(11) 0.88544(4) 0.01275(10) Uani 1 1 d . . .
Pd2 Pd 0.756573(14) 0.554595(12) 0.90420(3) 0.01317(10) Uani 1 1 d . A .
Ge1 Ge 0.82864(2) 0.506295(16) 0.85766(5) 0.01168(12) Uani 1 1 d . . .
Cl1 Cl 0.85421(6) 0.50555(4) 0.66516(12) 0.0175(3) Uani 1 1 d . . .
P2 P 0.66337(5) 0.43546(4) 0.89326(14) 0.0166(3) Uani 1 1 d . . .
P3 P 0.79755(5) 0.61687(4) 0.86326(13) 0.0157(3) Uani 1 1 d . A .
P4 P 0.68345(6) 0.59394(5) 0.97857(14) 0.0190(3) Uani 1 1 d . . .
P1 P 0.78059(5) 0.39922(4) 0.83925(13) 0.0156(3) Uani 1 1 d . . .
F6 F 0.99399(12) 0.29057(9) 0.8853(3) 0.0248(7) Uani 1 1 d . . .
C47 C 0.7447(2) 0.65654(16) 0.8772(7) 0.0252(14) Uani 1 1 d . . .
H63 H 0.7613 0.6844 0.8858 0.030 Uiso 1 1 calc R A .
H64 H 0.7224 0.6567 0.8039 0.030 Uiso 1 1 calc R . .
F7 F 1.00725(14) 0.32643(10) 1.0997(3) 0.0304(8) Uani 1 1 d . . .
F13 F 0.81105(15) 0.24934(13) 0.5910(4) 0.0419(10) Uani 1 1 d . . .
F11 F 0.99775(14) 0.24054(14) 0.5794(4) 0.0412(10) Uani 1 1 d . . .
F10 F 1.05794(18) 0.16386(12) 1.0437(4) 0.0449(11) Uani 1 1 d . . .
F15 F 0.90306(15) 0.20197(13) 0.9297(3) 0.0396(10) Uani 1 1 d . . .
C2 C 0.8863(2) 0.50302(16) 1.0839(5) 0.0134(11) Uani 1 1 d . . .
F9 F 1.06935(17) 0.19977(14) 1.2573(4) 0.0487(11) Uani 1 1 d . . .
F16 F 0.83201(17) 0.23007(14) 1.2605(4) 0.0478(11) Uani 1 1 d . . .
C18 C 1.0246(2) 0.56683(17) 0.9966(5) 0.0171(12) Uani 1 1 d . . .
H13 H 1.0537 0.5665 1.0514 0.021 Uiso 1 1 calc R . .
C3 C 0.8362(2) 0.50359(17) 1.1376(5) 0.0174(12) Uani 1 1 d . . .
H2 H 0.8048 0.5043 1.0896 0.021 Uiso 1 1 calc R . .
F12 F 0.90631(16) 0.25867(15) 0.4732(4) 0.0509(12) Uani 1 1 d . . .
C19 C 0.9842(2) 0.53765(17) 1.0060(5) 0.0151(11) Uani 1 1 d . . .
C1 C 0.8995(2) 0.50329(16) 0.9479(5) 0.0120(11) Uani 1 1 d . . .
C15 C 0.9400(2) 0.56753(17) 0.8356(5) 0.0154(11) Uani 1 1 d . . .
H10 H 0.9116 0.5673 0.7789 0.018 Uiso 1 1 calc R . .
C23 C 0.8325(2) 0.37511(16) 0.9346(5) 0.0182(12) Uani 1 1 d . . .
H19 H 0.8677 0.3814 0.8957 0.022 Uiso 1 1 calc R . .
C61 C 0.6616(2) 0.58166(18) 1.1336(5) 0.0205(13) Uani 1 1 d . A .
H89 H 0.6341 0.5592 1.1266 0.025 Uiso 1 1 calc R . .
C24 C 0.8339(2) 0.39635(19) 1.0580(5) 0.0222(13) Uani 1 1 d . . .
H20 H 0.8371 0.4268 1.0476 0.027 Uiso 1 1 calc R . .
H21 H 0.8001 0.3906 1.1012 0.027 Uiso 1 1 calc R . .
F8 F 1.04338(16) 0.28194(14) 1.2887(3) 0.0427(10) Uani 1 1 d . . .
C56 C 0.8510(2) 0.61370(18) 1.0837(5) 0.0207(12) Uani 1 1 d . A .
H79 H 0.8192 0.6230 1.1295 0.025 Uiso 1 1 calc R . .
H80 H 0.8481 0.5833 1.0719 0.025 Uiso 1 1 calc R . .
C20 C 0.9842(2) 0.50063(17) 1.0892(5) 0.0150(11) Uani 1 1 d . . .
H14 H 1.0163 0.4997 1.1425 0.018 Uiso 1 1 calc R . .
C6 C 0.9274(2) 0.50184(17) 1.2803(5) 0.0181(12) Uani 1 1 d . . .
H5 H 0.9587 0.5015 1.3287 0.022 Uiso 1 1 calc R . .
C34 C 0.7603(2) 0.4148(2) 0.5993(6) 0.0253(13) Uani 1 1 d . . .
H39 H 0.7273 0.3976 0.6018 0.030 Uiso 1 1 calc R . .
H40 H 0.7511 0.4430 0.6282 0.030 Uiso 1 1 calc R . .
C11 C 1.0117(2) 0.40121(16) 0.9075(5) 0.0186(11) Uani 1 1 d . . .
H8 H 1.0364 0.3788 0.9026 0.022 Uiso 1 1 calc R . .
C7 C 0.9318(2) 0.50168(16) 1.1575(5) 0.0142(11) Uani 1 1 d . . .
C12 C 1.0172(2) 0.43106(18) 0.9973(5) 0.0179(12) Uani 1 1 d . . .
H9 H 1.0463 0.4295 1.0518 0.022 Uiso 1 1 calc R . .
C9 C 0.9327(2) 0.43580(17) 0.8344(5) 0.0146(11) Uani 1 1 d . . .
H6 H 0.9045 0.4376 0.7774 0.018 Uiso 1 1 calc R . .
C13 C 0.9800(2) 0.46293(16) 1.0065(5) 0.0138(11) Uani 1 1 d . . .
C17 C 1.0226(2) 0.59663(17) 0.9070(5) 0.0204(12) Uani 1 1 d . . .
H12 H 1.0500 0.6171 0.9017 0.025 Uiso 1 1 calc R . .
C16 C 0.9808(2) 0.59672(17) 0.8250(5) 0.0186(12) Uani 1 1 d . . .
H11 H 0.9801 0.6166 0.7622 0.022 Uiso 1 1 calc R . .
C14 C 0.9402(2) 0.53884(15) 0.9277(5) 0.0115(10) Uani 1 1 d . . .
C41 C 0.6112(2) 0.46007(19) 0.8003(6) 0.0249(13) Uani 1 1 d . . .
H52 H 0.6023 0.4874 0.8380 0.030 Uiso 1 1 calc R . .
C10 C 0.9703(2) 0.40436(17) 0.8258(5) 0.0178(12) Uani 1 1 d . . .
H7 H 0.9677 0.3846 0.7628 0.021 Uiso 1 1 calc R . .
C96 C 0.7527(3) 0.2682(2) 1.2787(7) 0.0361(17) Uani 1 1 d . . .
H115 H 0.7605 0.2736 1.3603 0.043 Uiso 1 1 calc R . .
C55 C 0.8521(2) 0.63551(17) 0.9620(5) 0.0177(12) Uani 1 1 d . . .
H78 H 0.8863 0.6268 0.9229 0.021 Uiso 1 1 calc R A .
C49 C 0.8214(2) 0.62174(18) 0.7085(5) 0.0190(12) Uani 1 1 d . . .
H67 H 0.8540 0.6037 0.7032 0.023 Uiso 1 1 calc R A .
C8 C 0.93580(19) 0.46487(15) 0.9265(5) 0.0120(11) Uani 1 1 d . . .
C81 C 1.0176(2) 0.28605(19) 1.0859(6) 0.0238(13) Uani 1 1 d . . .
C83 C 1.0488(3) 0.2223(2) 1.1658(6) 0.0322(15) Uani 1 1 d . . .
C40 C 0.6175(3) 0.46853(19) 1.1011(6) 0.0249(14) Uani 1 1 d . . .
H50 H 0.5911 0.4834 1.0509 0.030 Uiso 1 1 calc R . .
H51 H 0.6497 0.4863 1.1088 0.030 Uiso 1 1 calc R . .
C50 C 0.8395(2) 0.66502(19) 0.6694(6) 0.0235(13) Uani 1 1 d . A .
H68 H 0.8684 0.6748 0.7234 0.028 Uiso 1 1 calc R . .
H69 H 0.8091 0.6846 0.6764 0.028 Uiso 1 1 calc R . .
C80 C 1.0102(2) 0.26616(18) 0.9773(5) 0.0192(12) Uani 1 1 d . . .
C63 C 0.6891(2) 0.54986(19) 1.3310(6) 0.0274(14) Uani 1 1 d . A .
H92 H 0.6633 0.5267 1.3231 0.033 Uiso 1 1 calc R . .
H93 H 0.7202 0.5396 1.3775 0.033 Uiso 1 1 calc R . .
C4 C 0.8320(2) 0.50316(17) 1.2607(6) 0.0200(13) Uani 1 1 d . . .
H3 H 0.7975 0.5033 1.2965 0.024 Uiso 1 1 calc R . .
C29 C 0.8028(2) 0.39544(18) 0.6823(5) 0.0204(12) Uani 1 1 d . . .
H30 H 0.8353 0.4136 0.6755 0.024 Uiso 1 1 calc R . .
C58 C 0.9099(3) 0.6698(2) 1.1694(6) 0.0280(14) Uani 1 1 d . A .
H83 H 0.9449 0.6749 1.2086 0.034 Uiso 1 1 calc R . .
H84 H 0.8814 0.6811 1.2217 0.034 Uiso 1 1 calc R . .
C5 C 0.8771(2) 0.50254(17) 1.3328(5) 0.0211(13) Uani 1 1 d . . .
H4 H 0.8735 0.5026 1.4173 0.025 Uiso 1 1 calc R . .
C86 C 0.9530(2) 0.23452(19) 0.6446(6) 0.0290(14) Uani 1 1 d . . .
C36 C 0.6711(3) 0.40268(19) 1.1209(5) 0.0265(14) Uani 1 1 d . . .
H42 H 0.6786 0.3754 1.0832 0.032 Uiso 1 1 calc R . .
H43 H 0.7054 0.4179 1.1282 0.032 Uiso 1 1 calc R . .
C64 C 0.6629(2) 0.58529(19) 1.3980(6) 0.0298(14) Uani 1 1 d . . .
H94 H 0.6895 0.6075 1.4132 0.036 Uiso 1 1 calc R . .
H95 H 0.6495 0.5752 1.4762 0.036 Uiso 1 1 calc R . .
C88 C 0.8574(2) 0.2404(2) 0.6459(7) 0.0306(15) Uani 1 1 d . . .
C42 C 0.5587(2) 0.4348(2) 0.7937(7) 0.0333(16) Uani 1 1 d . . .
H53 H 0.5664 0.4066 0.7625 0.040 Uiso 1 1 calc R . .
H54 H 0.5434 0.4318 0.8749 0.040 Uiso 1 1 calc R . .
C27 C 0.8780(3) 0.3126(2) 1.0226(6) 0.0285(15) Uani 1 1 d . . .
H26 H 0.8757 0.2821 1.0332 0.034 Uiso 1 1 calc R . .
H27 H 0.9115 0.3189 0.9790 0.034 Uiso 1 1 calc R . .
C94 C 0.6957(3) 0.2754(2) 1.1050(7) 0.0334(16) Uani 1 1 d . . .
H113 H 0.6638 0.2859 1.0692 0.040 Uiso 1 1 calc R . .
C60 C 0.8564(2) 0.68248(18) 0.9812(5) 0.0220(13) Uani 1 1 d . A .
H87 H 0.8253 0.6925 1.0278 0.026 Uiso 1 1 calc R . .
H88 H 0.8565 0.6969 0.9030 0.026 Uiso 1 1 calc R . .
C21 C 0.7235(2) 0.36306(15) 0.8532(5) 0.0165(11) Uani 1 1 d . . .
H15 H 0.7287 0.3399 0.7961 0.020 Uiso 1 1 calc R . .
H16 H 0.7236 0.3511 0.9348 0.020 Uiso 1 1 calc R . .
C51 C 0.8601(3) 0.6651(2) 0.5401(5) 0.0270(14) Uani 1 1 d . . .
H70 H 0.8674 0.6941 0.5152 0.032 Uiso 1 1 calc R A .
H71 H 0.8943 0.6495 0.5363 0.032 Uiso 1 1 calc R . .
C85 C 0.9562(2) 0.21925(17) 0.7607(6) 0.0224(13) Uani 1 1 d . . .
C52 C 0.8202(3) 0.6457(2) 0.4539(6) 0.0280(14) Uani 1 1 d . A .
H72 H 0.7877 0.6632 0.4496 0.034 Uiso 1 1 calc R . .
H73 H 0.8362 0.6444 0.3730 0.034 Uiso 1 1 calc R . .
C62 C 0.7081(2) 0.56320(19) 1.2059(5) 0.0238(13) Uani 1 1 d . . .
H90 H 0.7370 0.5842 1.2137 0.029 Uiso 1 1 calc R A .
H91 H 0.7229 0.5388 1.1631 0.029 Uiso 1 1 calc R . .
C82 C 1.0360(2) 0.2627(2) 1.1822(6) 0.0300(15) Uani 1 1 d . . .
C45 C 0.5909(3) 0.4905(2) 0.5959(7) 0.0414(19) Uani 1 1 d . . .
H59 H 0.5828 0.5184 0.6287 0.050 Uiso 1 1 calc R . .
H60 H 0.6054 0.4941 0.5142 0.050 Uiso 1 1 calc R . .
C35 C 0.6328(2) 0.42748(18) 1.0409(5) 0.0224(13) Uani 1 1 d . . .
H41 H 0.5994 0.4107 1.0299 0.027 Uiso 1 1 calc R . .
C67 C 0.6213(6) 0.5955(5) 0.8844(11) 0.030(3) Uani 0.646(10) 1 d PDU A 1
H100 H 0.6133 0.5656 0.8666 0.037 Uiso 0.646(10) 1 calc PR A 1
C22 C 0.6691(2) 0.38254(17) 0.8303(5) 0.0185(12) Uani 1 1 d . . .
H17 H 0.6409 0.3647 0.8658 0.022 Uiso 1 1 calc R . .
H18 H 0.6627 0.3838 0.7430 0.022 Uiso 1 1 calc R . .
C39 C 0.5935(3) 0.4607(2) 1.2254(6) 0.0331(16) Uani 1 1 d . . .
H48 H 0.5853 0.4876 1.2640 0.040 Uiso 1 1 calc R . .
H49 H 0.5595 0.4450 1.2169 0.040 Uiso 1 1 calc R . .
C90 C 0.9060(3) 0.21639(19) 0.8155(6) 0.0275(14) Uani 1 1 d . . .
C84 C 1.0415(3) 0.2043(2) 1.0553(6) 0.0287(15) Uani 1 1 d . . .
C87 C 0.9061(3) 0.2444(2) 0.5872(6) 0.0338(16) Uani 1 1 d . . .
C91 C 0.7864(3) 0.2456(2) 1.2096(7) 0.0332(16) Uani 1 1 d . . .
C38 C 0.6316(3) 0.4363(2) 1.3035(6) 0.0331(16) Uani 1 1 d . . .
H46 H 0.6143 0.4306 1.3815 0.040 Uiso 1 1 calc R . .
H47 H 0.6641 0.4532 1.3185 0.040 Uiso 1 1 calc R . .
C57 C 0.9017(2) 0.62353(19) 1.1542(6) 0.0257(14) Uani 1 1 d . . .
H81 H 0.8994 0.6103 1.2340 0.031 Uiso 1 1 calc R A .
H82 H 0.9331 0.6116 1.1122 0.031 Uiso 1 1 calc R . .
C30 C 0.8197(3) 0.3527(2) 0.6371(6) 0.0288(15) Uani 1 1 d . . .
H31 H 0.7891 0.3332 0.6428 0.035 Uiso 1 1 calc R . .
H32 H 0.8491 0.3417 0.6875 0.035 Uiso 1 1 calc R . .
C25 C 0.8815(2) 0.3803(2) 1.1318(6) 0.0268(14) Uani 1 1 d . . .
H22 H 0.9154 0.3884 1.0921 0.032 Uiso 1 1 calc R . .
H23 H 0.8808 0.3934 1.2120 0.032 Uiso 1 1 calc R . .
C37 C 0.6476(3) 0.3956(2) 1.2458(6) 0.0325(16) Uani 1 1 d . . .
H44 H 0.6157 0.3773 1.2397 0.039 Uiso 1 1 calc R . .
H45 H 0.6744 0.3814 1.2966 0.039 Uiso 1 1 calc R . .
C92 C 0.7777(3) 0.2368(2) 1.0911(6) 0.0322(16) Uani 1 1 d . . .
H111 H 0.8024 0.2204 1.0467 0.039 Uiso 1 1 calc R . .
C54 C 0.7809(2) 0.60309(19) 0.6188(5) 0.0235(13) Uani 1 1 d . A .
H76 H 0.7713 0.5745 0.6437 0.028 Uiso 1 1 calc R . .
H77 H 0.7477 0.6200 0.6185 0.028 Uiso 1 1 calc R . .
C79 C 1.0205(2) 0.22465(18) 0.9574(5) 0.0211(13) Uani 1 1 d . . .
C59 C 0.9085(3) 0.69207(19) 1.0488(6) 0.0267(14) Uani 1 1 d . . .
H85 H 0.9396 0.6831 1.0001 0.032 Uiso 1 1 calc R A .
H86 H 0.9115 0.7225 1.0617 0.032 Uiso 1 1 calc R . .
C32 C 0.7968(3) 0.3749(2) 0.4253(6) 0.0374(17) Uani 1 1 d . . .
H35 H 0.8116 0.3774 0.3435 0.045 Uiso 1 1 calc R . .
H36 H 0.7648 0.3567 0.4216 0.045 Uiso 1 1 calc R . .
C53 C 0.8048(2) 0.6022(2) 0.4939(6) 0.0280(14) Uani 1 1 d . . .
H74 H 0.8369 0.5841 0.4934 0.034 Uiso 1 1 calc R A .
H75 H 0.7783 0.5904 0.4373 0.034 Uiso 1 1 calc R . .
C46 C 0.6327(2) 0.4693(2) 0.6741(6) 0.0259(14) Uani 1 1 d . . .
H61 H 0.6647 0.4874 0.6803 0.031 Uiso 1 1 calc R . .
H62 H 0.6438 0.4429 0.6359 0.031 Uiso 1 1 calc R . .
C28 C 0.8301(2) 0.32750(18) 0.9489(6) 0.0252(14) Uani 1 1 d . . .
H28 H 0.7963 0.3196 0.9894 0.030 Uiso 1 1 calc R . .
H29 H 0.8307 0.3141 0.8692 0.030 Uiso 1 1 calc R . .
C31 C 0.8385(3) 0.3555(2) 0.5069(7) 0.0407(19) Uani 1 1 d . . .
H33 H 0.8717 0.3723 0.5035 0.049 Uiso 1 1 calc R . .
H34 H 0.8471 0.3272 0.4776 0.049 Uiso 1 1 calc R . .
C48 C 0.7095(2) 0.64767(18) 0.9850(6) 0.0290(15) Uani 1 1 d . A .
H65 H 0.6791 0.6675 0.9866 0.035 Uiso 1 1 calc R . .
H66 H 0.7305 0.6515 1.0592 0.035 Uiso 1 1 calc R . .
C33 C 0.7805(3) 0.4175(2) 0.4702(6) 0.0344(16) Uani 1 1 d . . .
H37 H 0.7518 0.4289 0.4184 0.041 Uiso 1 1 calc R . .
H38 H 0.8116 0.4366 0.4662 0.041 Uiso 1 1 calc R . .
C66 C 0.6351(3) 0.6172(2) 1.2023(6) 0.0407(19) Uani 1 1 d . . .
H98 H 0.6610 0.6403 1.2118 0.049 Uiso 1 1 calc R A .
H99 H 0.6041 0.6277 1.1560 0.049 Uiso 1 1 calc R . .
C95 C 0.7062(3) 0.2832(2) 1.2253(7) 0.0379(17) Uani 1 1 d . . .
H114 H 0.6814 0.2989 1.2713 0.046 Uiso 1 1 calc R . .
B1 B 1.0092(3) 0.2001(2) 0.8319(6) 0.0225(15) Uani 1 1 d . . .
H123 H 0.9998 0.1660 0.8553 0.027 Uiso 1 1 calc R . .
C26 C 0.8794(2) 0.3336(2) 1.1451(6) 0.0287(15) Uani 1 1 d . . .
H24 H 0.8471 0.3256 1.1912 0.034 Uiso 1 1 calc R . .
H25 H 0.9114 0.3239 1.1898 0.034 Uiso 1 1 calc R . .
C65 C 0.6161(3) 0.6030(3) 1.3249(6) 0.0414(19) Uani 1 1 d . A .
H96 H 0.5881 0.5814 1.3154 0.050 Uiso 1 1 calc R . .
H97 H 0.6000 0.6268 1.3681 0.050 Uiso 1 1 calc R . .
C44 C 0.5397(3) 0.4650(3) 0.5905(7) 0.048(2) Uani 1 1 d . . .
H57 H 0.5126 0.4801 0.5426 0.058 Uiso 1 1 calc R . .
H58 H 0.5472 0.4382 0.5499 0.058 Uiso 1 1 calc R . .
C43 C 0.5175(3) 0.4565(3) 0.7117(8) 0.052(2) Uani 1 1 d . . .
H55 H 0.4853 0.4387 0.7041 0.062 Uiso 1 1 calc R . .
H56 H 0.5064 0.4831 0.7488 0.062 Uiso 1 1 calc R . .
C70 C 0.5327(4) 0.6307(4) 0.7402(10) 0.041(3) Uani 0.646(10) 1 d PDU A 1
H105 H 0.5010 0.6277 0.6876 0.050 Uiso 0.646(10) 1 calc PR A 1
H106 H 0.5382 0.6606 0.7564 0.050 Uiso 0.646(10) 1 calc PR A 1
C71 C 0.5816(4) 0.6129(5) 0.6788(10) 0.043(3) Uani 0.646(10) 1 d PDU A 1
H107 H 0.5887 0.6286 0.6043 0.052 Uiso 0.646(10) 1 calc PR A 1
H108 H 0.5748 0.5835 0.6571 0.052 Uiso 0.646(10) 1 calc PR A 1
C72 C 0.6306(4) 0.6155(5) 0.7610(9) 0.039(3) Uani 0.646(10) 1 d PDU A 1
H109 H 0.6404 0.6451 0.7723 0.047 Uiso 0.646(10) 1 calc PR A 1
H110 H 0.6612 0.6014 0.7217 0.047 Uiso 0.646(10) 1 calc PR A 1
C69 C 0.5230(4) 0.6076(4) 0.8574(9) 0.044(3) Uani 0.646(10) 1 d PDU A 1
H103 H 0.4904 0.6187 0.8964 0.052 Uiso 0.646(10) 1 calc PR A 1
H104 H 0.5168 0.5777 0.8404 0.052 Uiso 0.646(10) 1 calc PR A 1
C68 C 0.5705(3) 0.6119(4) 0.9425(9) 0.039(3) Uani 0.646(10) 1 d PDU A 1
H101 H 0.5754 0.6415 0.9639 0.047 Uiso 0.646(10) 1 calc PR A 1
H102 H 0.5633 0.5962 1.0168 0.047 Uiso 0.646(10) 1 calc PR A 1
F1 F 1.11653(13) 0.24781(11) 0.8570(3) 0.0318(8) Uani 1 1 d . . .
F5 F 1.01990(17) 0.15182(12) 0.6181(3) 0.0387(10) Uani 1 1 d . . .
F14 F 0.81122(15) 0.22084(14) 0.8194(4) 0.0479(11) Uani 1 1 d . . .
F2 F 1.19942(16) 0.24140(14) 0.7108(4) 0.0469(11) Uani 1 1 d . . .
F4 F 1.1044(2) 0.14573(15) 0.4724(4) 0.0581(13) Uani 1 1 d . . .
F3 F 1.19484(18) 0.19119(16) 0.5157(4) 0.0583(14) Uani 1 1 d . . .
C73 C 1.0632(3) 0.20008(18) 0.7453(5) 0.0218(13) Uani 1 1 d . . .
C74 C 1.1101(3) 0.2214(2) 0.7633(5) 0.0257(14) Uani 1 1 d . . .
C77 C 1.1074(3) 0.1710(2) 0.5684(6) 0.0395(19) Uani 1 1 d . . .
C76 C 1.1526(3) 0.1942(3) 0.5913(6) 0.0400(19) Uani 1 1 d . . .
C75 C 1.1544(3) 0.2192(2) 0.6884(6) 0.0317(16) Uani 1 1 d . . .
C78 C 1.0639(3) 0.1747(2) 0.6454(6) 0.0320(16) Uani 1 1 d . . .
C89 C 0.8580(2) 0.2260(2) 0.7616(7) 0.0319(16) Uani 1 1 d . . .
C93 C 0.7315(3) 0.2525(2) 1.0382(6) 0.0322(15) Uani 1 1 d . . .
H112 H 0.7246 0.2475 0.9559 0.039 Uiso 1 1 calc R . .
C102 C 0.5954(6) 0.6453(6) 0.9161(17) 0.039(4) Uani 0.354(10) 1 d PDU A 2
H126 H 0.5908 0.6526 1.0015 0.046 Uiso 0.354(10) 1 calc PR A 2
H127 H 0.6207 0.6654 0.8799 0.046 Uiso 0.354(10) 1 calc PR A 2
C101 C 0.5411(6) 0.6476(7) 0.8516(14) 0.040(4) Uani 0.354(10) 1 d PDU A 2
H124 H 0.5159 0.6269 0.8856 0.048 Uiso 0.354(10) 1 calc PR A 2
H125 H 0.5253 0.6757 0.8607 0.048 Uiso 0.354(10) 1 calc PR A 2
C98 C 0.6248(7) 0.5914(8) 0.7716(16) 0.032(4) Uani 0.354(10) 1 d PDU A 2
H117 H 0.6408 0.5635 0.7613 0.038 Uiso 0.354(10) 1 calc PR A 2
H118 H 0.6492 0.6121 0.7349 0.038 Uiso 0.354(10) 1 calc PR A 2
C99 C 0.5697(8) 0.5931(6) 0.7096(19) 0.040(4) Uani 0.354(10) 1 d PDU A 2
H119 H 0.5728 0.5848 0.6247 0.048 Uiso 0.354(10) 1 calc PR A 2
H120 H 0.5440 0.5743 0.7499 0.048 Uiso 0.354(10) 1 calc PR A 2
C97 C 0.6178(15) 0.6009(8) 0.9050(18) 0.030(4) Uani 0.354(10) 1 d PDU A 2
H116 H 0.5915 0.5809 0.9401 0.036 Uiso 0.354(10) 1 calc PR A 2
C100 C 0.5514(10) 0.6382(6) 0.7199(15) 0.039(4) Uani 0.354(10) 1 d PDU A 2
H121 H 0.5183 0.6426 0.6729 0.046 Uiso 0.354(10) 1 calc PR A 2
H122 H 0.5795 0.6570 0.6883 0.046 Uiso 0.354(10) 1 calc PR A 2
H1 H 0.715(2) 0.5147(16) 0.930(5) 0.015(15) Uiso 1 1 d . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
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
P1 Pd1 P2 87.48(5) . .
P1 Pd1 Ge1 101.32(4) . .
P2 Pd1 Ge1 168.39(4) . .
P1 Pd1 Pd2 154.44(4) . .
P2 Pd1 Pd2 117.10(4) . .
Ge1 Pd1 Pd2 53.383(16) . .
P1 Pd1 H1 172.6(16) . .
P2 Pd1 H1 85.5(16) . .
Ge1 Pd1 H1 86.0(16) . .
Pd2 Pd1 H1 32.9(16) . .
P3 Pd2 P4 86.98(5) . .
P3 Pd2 Ge1 100.66(4) . .
P4 Pd2 Ge1 169.96(4) . .
P3 Pd2 Pd1 152.01(4) . .
P4 Pd2 Pd1 120.43(4) . .
Ge1 Pd2 Pd1 52.918(17) . .
P3 Pd2 H1 168.2(18) . .
P4 Pd2 H1 82.6(18) . .
Ge1 Pd2 H1 90.4(18) . .
Pd1 Pd2 H1 37.9(18) . .
C1 Ge1 Cl1 103.18(15) . .
C1 Ge1 Pd1 128.52(15) . .
Cl1 Ge1 Pd1 110.54(4) . .
C1 Ge1 Pd2 124.43(15) . .
Cl1 Ge1 Pd2 114.97(4) . .
Pd1 Ge1 Pd2 73.70(2) . .
C35 P2 C41 105.9(3) . .
C35 P2 C22 104.3(3) . .
C41 P2 C22 103.5(3) . .
C35 P2 Pd1 118.0(2) . .
C41 P2 Pd1 116.9(2) . .
C22 P2 Pd1 106.52(18) . .
C49 P3 C47 104.6(3) . .
C49 P3 C55 107.3(3) . .
C47 P3 C55 104.6(3) . .
C49 P3 Pd2 113.99(19) . .
C47 P3 Pd2 105.55(18) . .
C55 P3 Pd2 119.37(18) . .
C48 P4 C97 102.4(9) . .
C48 P4 C61 105.4(3) . .
C97 P4 C61 100.5(8) . .
C48 P4 C67 106.7(5) . .
C97 P4 C67 9.3(7) . .
C61 P4 C67 106.7(4) . .
C48 P4 Pd2 104.03(19) . .
C97 P4 Pd2 126.2(5) . .
C61 P4 Pd2 116.05(19) . .
C67 P4 Pd2 116.9(4) . .
C29 P1 C21 105.7(3) . .
C29 P1 C23 108.1(3) . .
C21 P1 C23 103.2(2) . .
C29 P1 Pd1 112.1(2) . .
C21 P1 Pd1 106.96(17) . .
C23 P1 Pd1 119.54(19) . .
C48 C47 P3 110.6(4) . .
C48 C47 H63 109.5 . .
P3 C47 H63 109.5 . .
C48 C47 H64 109.5 . .
P3 C47 H64 109.5 . .
H63 C47 H64 108.1 . .
C3 C2 C7 118.4(5) . .
C3 C2 C1 127.8(5) . .
C7 C2 C1 113.8(5) . .
C19 C18 C17 119.9(5) . .
C19 C18 H13 120.1 . .
C17 C18 H13 120.1 . .
C4 C3 C2 120.0(5) . .
C4 C3 H2 120.0 . .
C2 C3 H2 120.0 . .
C18 C19 C14 120.3(5) . .
C18 C19 C20 125.7(5) . .
C14 C19 C20 113.9(5) . .
C14 C1 C8 100.5(4) . .
C14 C1 C2 106.6(4) . .
C8 C1 C2 105.6(4) . .
C14 C1 Ge1 117.6(3) . .
C8 C1 Ge1 117.9(3) . .
C2 C1 Ge1 107.6(3) . .
C14 C15 C16 120.7(5) . .
C14 C15 H10 119.6 . .
C16 C15 H10 119.6 . .
C28 C23 C24 110.4(5) . .
C28 C23 P1 116.7(4) . .
C24 C23 P1 110.3(4) . .
C28 C23 H19 106.3 . .
C24 C23 H19 106.3 . .
P1 C23 H19 106.3 . .
C66 C61 C62 110.6(5) . .
C66 C61 P4 115.9(5) . .
C62 C61 P4 110.6(4) . .
C66 C61 H89 106.3 . .
C62 C61 H89 106.3 . .
P4 C61 H89 106.3 . .
C25 C24 C23 110.6(5) . .
C25 C24 H20 109.5 . .
C23 C24 H20 109.5 . .
C25 C24 H21 109.5 . .
C23 C24 H21 109.5 . .
H20 C24 H21 108.1 . .
C57 C56 C55 110.5(5) . .
C57 C56 H79 109.5 . .
C55 C56 H79 109.5 . .
C57 C56 H80 109.5 . .
C55 C56 H80 109.5 . .
H79 C56 H80 108.1 . .
C19 C20 C7 107.1(4) . .
C19 C20 C13 104.6(4) . .
C7 C20 C13 105.4(4) . .
C19 C20 H14 113.0 . .
C7 C20 H14 113.0 . .
C13 C20 H14 113.0 . .
C7 C6 C5 119.6(5) . .
C7 C6 H5 120.2 . .
C5 C6 H5 120.2 . .
C33 C34 C29 111.4(5) . .
C33 C34 H39 109.3 . .
C29 C34 H39 109.3 . .
C33 C34 H40 109.3 . .
C29 C34 H40 109.3 . .
H39 C34 H40 108.0 . .
C10 C11 C12 119.9(5) . .
C10 C11 H8 120.1 . .
C12 C11 H8 120.1 . .
C6 C7 C2 121.4(5) . .
C6 C7 C20 124.9(5) . .
C2 C7 C20 113.7(5) . .
C13 C12 C11 119.8(5) . .
C13 C12 H9 120.1 . .
C11 C12 H9 120.1 . .
C10 C9 C8 120.2(5) . .
C10 C9 H6 119.9 . .
C8 C9 H6 119.9 . .
C12 C13 C8 120.3(5) . .
C12 C13 C20 125.9(5) . .
C8 C13 C20 113.5(4) . .
C18 C17 C16 120.4(5) . .
C18 C17 H12 119.8 . .
C16 C17 H12 119.8 . .
C15 C16 C17 119.5(5) . .
C15 C16 H11 120.2 . .
C17 C16 H11 120.2 . .
C15 C14 C19 119.1(5) . .
C15 C14 C1 126.8(5) . .
C19 C14 C1 113.7(4) . .
C46 C41 C42 110.7(5) . .
C46 C41 P2 110.7(4) . .
C42 C41 P2 113.6(4) . .
C46 C41 H52 107.2 . .
C42 C41 H52 107.2 . .
P2 C41 H52 107.2 . .
C11 C10 C9 121.0(5) . .
C11 C10 H7 119.5 . .
C9 C10 H7 119.5 . .
C91 C96 C95 117.4(7) . .
C91 C96 H115 121.3 . .
C95 C96 H115 121.3 . .
C60 C55 C56 109.2(5) . .
C60 C55 P3 117.1(4) . .
C56 C55 P3 111.7(4) . .
C60 C55 H78 106.0 . .
C56 C55 H78 106.0 . .
P3 C55 H78 106.0 . .
C50 C49 C54 111.2(5) . .
C50 C49 P3 116.3(4) . .
C54 C49 P3 111.5(4) . .
C50 C49 H67 105.6 . .
C54 C49 H67 105.6 . .
P3 C49 H67 105.6 . .
C9 C8 C13 118.7(5) . .
C9 C8 C1 128.0(5) . .
C13 C8 C1 113.0(4) . .
F7 C81 C80 121.6(6) . .
F7 C81 C82 120.0(6) . .
C80 C81 C82 118.3(6) . .
C82 C83 F9 120.1(7) . .
C82 C83 C84 119.7(6) . .
F9 C83 C84 120.2(6) . .
C35 C40 C39 110.7(5) . .
C35 C40 H50 109.5 . .
C39 C40 H50 109.5 . .
C35 C40 H51 109.5 . .
C39 C40 H51 109.5 . .
H50 C40 H51 108.1 . .
C49 C50 C51 111.7(5) . .
C49 C50 H68 109.3 . .
C51 C50 H68 109.3 . .
C49 C50 H69 109.3 . .
C51 C50 H69 109.3 . .
H68 C50 H69 107.9 . .
F6 C80 C79 119.6(5) . .
F6 C80 C81 116.0(5) . .
C79 C80 C81 124.3(6) . .
C64 C63 C62 112.0(5) . .
C64 C63 H92 109.2 . .
C62 C63 H92 109.2 . .
C64 C63 H93 109.2 . .
C62 C63 H93 109.2 . .
H92 C63 H93 107.9 . .
C3 C4 C5 121.3(5) . .
C3 C4 H3 119.4 . .
C5 C4 H3 119.4 . .
C30 C29 C34 110.7(5) . .
C30 C29 P1 117.3(4) . .
C34 C29 P1 109.9(4) . .
C30 C29 H30 106.1 . .
C34 C29 H30 106.1 . .
P1 C29 H30 106.1 . .
C57 C58 C59 111.0(5) . .
C57 C58 H83 109.4 . .
C59 C58 H83 109.4 . .
C57 C58 H84 109.4 . .
C59 C58 H84 109.4 . .
H83 C58 H84 108.0 . .
C4 C5 C6 119.3(5) . .
C4 C5 H4 120.3 . .
C6 C5 H4 120.3 . .
F11 C86 C87 114.8(6) . .
F11 C86 C85 120.5(6) . .
C87 C86 C85 124.7(6) . .
C37 C36 C35 111.8(5) . .
C37 C36 H42 109.3 . .
C35 C36 H42 109.3 . .
C37 C36 H43 109.3 . .
C35 C36 H43 109.3 . .
H42 C36 H43 107.9 . .
C63 C64 C65 110.1(5) . .
C63 C64 H94 109.6 . .
C65 C64 H94 109.6 . .
C63 C64 H95 109.6 . .
C65 C64 H95 109.6 . .
H94 C64 H95 108.1 . .
F13 C88 C89 120.8(6) . .
F13 C88 C87 121.3(7) . .
C89 C88 C87 117.9(6) . .
C43 C42 C41 110.8(6) . .
C43 C42 H53 109.5 . .
C41 C42 H53 109.5 . .
C43 C42 H54 109.5 . .
C41 C42 H54 109.5 . .
H53 C42 H54 108.1 . .
C26 C27 C28 111.3(5) . .
C26 C27 H26 109.4 . .
C28 C27 H26 109.4 . .
C26 C27 H27 109.4 . .
C28 C27 H27 109.4 . .
H26 C27 H27 108.0 . .
C93 C94 C95 119.8(7) . .
C93 C94 H113 120.1 . .
C95 C94 H113 120.1 . .
C55 C60 C59 109.1(5) . .
C55 C60 H87 109.9 . .
C59 C60 H87 109.9 . .
C55 C60 H88 109.9 . .
C59 C60 H88 109.9 . .
H87 C60 H88 108.3 . .
C22 C21 P1 114.6(4) . .
C22 C21 H15 108.6 . .
P1 C21 H15 108.6 . .
C22 C21 H16 108.6 . .
P1 C21 H16 108.6 . .
H15 C21 H16 107.6 . .
C52 C51 C50 112.2(5) . .
C52 C51 H70 109.2 . .
C50 C51 H70 109.2 . .
C52 C51 H71 109.2 . .
C50 C51 H71 109.2 . .
H70 C51 H71 107.9 . .
C86 C85 C90 112.4(6) . .
C86 C85 B1 128.6(5) . .
C90 C85 B1 118.6(6) . .
C53 C52 C51 111.0(5) . .
C53 C52 H72 109.4 . .
C51 C52 H72 109.4 . .
C53 C52 H73 109.4 . .
C51 C52 H73 109.4 . .
H72 C52 H73 108.0 . .
C61 C62 C63 110.8(5) . .
C61 C62 H90 109.5 . .
C63 C62 H90 109.5 . .
C61 C62 H91 109.5 . .
C63 C62 H91 109.5 . .
H90 C62 H91 108.1 . .
C83 C82 F8 121.7(6) . .
C83 C82 C81 119.5(6) . .
F8 C82 C81 118.7(6) . .
C44 C45 C46 110.9(6) . .
C44 C45 H59 109.5 . .
C46 C45 H59 109.5 . .
C44 C45 H60 109.5 . .
C46 C45 H60 109.5 . .
H59 C45 H60 108.1 . .
C40 C35 C36 110.3(5) . .
C40 C35 P2 112.3(4) . .
C36 C35 P2 109.8(4) . .
C40 C35 H41 108.1 . .
C36 C35 H41 108.1 . .
P2 C35 H41 108.1 . .
C68 C67 C72 111.3(10) . .
C68 C67 P4 117.3(9) . .
C72 C67 P4 112.9(10) . .
C68 C67 H100 104.6 . .
C72 C67 H100 104.6 . .
P4 C67 H100 104.6 . .
C21 C22 P2 112.6(4) . .
C21 C22 H17 109.1 . .
P2 C22 H17 109.1 . .
C21 C22 H18 109.1 . .
P2 C22 H18 109.1 . .
H17 C22 H18 107.8 . .
C38 C39 C40 111.3(5) . .
C38 C39 H48 109.4 . .
C40 C39 H48 109.4 . .
C38 C39 H49 109.4 . .
C40 C39 H49 109.4 . .
H48 C39 H49 108.0 . .
F15 C90 C89 116.1(6) . .
F15 C90 C85 118.9(6) . .
C89 C90 C85 125.0(6) . .
F10 C84 C83 116.4(6) . .
F10 C84 C79 119.3(6) . .
C83 C84 C79 124.3(6) . .
F12 C87 C86 121.1(6) . .
F12 C87 C88 118.6(6) . .
C86 C87 C88 120.2(7) . .
C96 C91 F16 118.4(7) . .
C96 C91 C92 124.2(7) . .
F16 C91 C92 117.4(7) . .
C39 C38 C37 111.6(6) . .
C39 C38 H46 109.3 . .
C37 C38 H46 109.3 . .
C39 C38 H47 109.3 . .
C37 C38 H47 109.3 . .
H46 C38 H47 108.0 . .
C58 C57 C56 112.0(5) . .
C58 C57 H81 109.2 . .
C56 C57 H81 109.2 . .
C58 C57 H82 109.2 . .
C56 C57 H82 109.2 . .
H81 C57 H82 107.9 . .
C29 C30 C31 110.2(6) . .
C29 C30 H31 109.6 . .
C31 C30 H31 109.6 . .
C29 C30 H32 109.6 . .
C31 C30 H32 109.6 . .
H31 C30 H32 108.1 . .
C26 C25 C24 111.1(5) . .
C26 C25 H22 109.4 . .
C24 C25 H22 109.4 . .
C26 C25 H23 109.4 . .
C24 C25 H23 109.4 . .
H22 C25 H23 108.0 . .
C38 C37 C36 111.2(5) . .
C38 C37 H44 109.4 . .
C36 C37 H44 109.4 . .
C38 C37 H45 109.4 . .
C36 C37 H45 109.4 . .
H44 C37 H45 108.0 . .
C91 C92 C93 117.9(7) . .
C91 C92 H111 121.1 . .
C93 C92 H111 121.1 . .
C53 C54 C49 110.3(5) . .
C53 C54 H76 109.6 . .
C49 C54 H76 109.6 . .
C53 C54 H77 109.6 . .
C49 C54 H77 109.6 . .
H76 C54 H77 108.1 . .
C80 C79 C84 113.7(6) . .
C80 C79 B1 125.1(5) . .
C84 C79 B1 121.2(5) . .
C58 C59 C60 111.1(5) . .
C58 C59 H85 109.4 . .
C60 C59 H85 109.4 . .
C58 C59 H86 109.4 . .
C60 C59 H86 109.4 . .
H85 C59 H86 108.0 . .
C33 C32 C31 110.9(6) . .
C33 C32 H35 109.5 . .
C31 C32 H35 109.5 . .
C33 C32 H36 109.5 . .
C31 C32 H36 109.5 . .
H35 C32 H36 108.1 . .
C52 C53 C54 110.7(5) . .
C52 C53 H74 109.5 . .
C54 C53 H74 109.5 . .
C52 C53 H75 109.5 . .
C54 C53 H75 109.5 . .
H74 C53 H75 108.1 . .
C45 C46 C41 112.0(6) . .
C45 C46 H61 109.2 . .
C41 C46 H61 109.2 . .
C45 C46 H62 109.2 . .
C41 C46 H62 109.2 . .
H61 C46 H62 107.9 . .
C27 C28 C23 109.7(5) . .
C27 C28 H28 109.7 . .
C23 C28 H28 109.7 . .
C27 C28 H29 109.7 . .
C23 C28 H29 109.7 . .
H28 C28 H29 108.2 . .
C32 C31 C30 112.7(6) . .
C32 C31 H33 109.0 . .
C30 C31 H33 109.0 . .
C32 C31 H34 109.0 . .
C30 C31 H34 109.0 . .
H33 C31 H34 107.8 . .
C47 C48 P4 110.4(4) . .
C47 C48 H65 109.6 . .
P4 C48 H65 109.6 . .
C47 C48 H66 109.6 . .
P4 C48 H66 109.6 . .
H65 C48 H66 108.1 . .
C32 C33 C34 110.4(5) . .
C32 C33 H37 109.6 . .
C34 C33 H37 109.6 . .
C32 C33 H38 109.6 . .
C34 C33 H38 109.6 . .
H37 C33 H38 108.1 . .
C65 C66 C61 111.4(6) . .
C65 C66 H98 109.4 . .
C61 C66 H98 109.4 . .
C65 C66 H99 109.4 . .
C61 C66 H99 109.4 . .
H98 C66 H99 108.0 . .
C96 C95 C94 120.7(7) . .
C96 C95 H114 119.7 . .
C94 C95 H114 119.7 . .
C79 B1 C73 111.2(5) . .
C79 B1 C85 111.7(5) . .
C73 B1 C85 111.5(5) . .
C79 B1 H123 107.4 . .
C73 B1 H123 107.4 . .
C85 B1 H123 107.4 . .
C25 C26 C27 110.6(5) . .
C25 C26 H24 109.5 . .
C27 C26 H24 109.5 . .
C25 C26 H25 109.5 . .
C27 C26 H25 109.5 . .
H24 C26 H25 108.1 . .
C66 C65 C64 110.7(6) . .
C66 C65 H96 109.5 . .
C64 C65 H96 109.5 . .
C66 C65 H97 109.5 . .
C64 C65 H97 109.5 . .
H96 C65 H97 108.1 . .
C43 C44 C45 112.0(7) . .
C43 C44 H57 109.2 . .
C45 C44 H57 109.2 . .
C43 C44 H58 109.2 . .
C45 C44 H58 109.2 . .
H57 C44 H58 107.9 . .
C44 C43 C42 112.1(6) . .
C44 C43 H55 109.2 . .
C42 C43 H55 109.2 . .
C44 C43 H56 109.2 . .
C42 C43 H56 109.2 . .
H55 C43 H56 107.9 . .
C71 C70 C69 109.5(10) . .
C71 C70 H105 109.8 . .
C69 C70 H105 109.8 . .
C71 C70 H106 109.8 . .
C69 C70 H106 109.8 . .
H105 C70 H106 108.2 . .
C70 C71 C72 110.6(9) . .
C70 C71 H107 109.5 . .
C72 C71 H107 109.5 . .
C70 C71 H108 109.5 . .
C72 C71 H108 109.5 . .
H107 C71 H108 108.1 . .
C71 C72 C67 113.3(11) . .
C71 C72 H109 108.9 . .
C67 C72 H109 108.9 . .
C71 C72 H110 108.9 . .
C67 C72 H110 108.9 . .
H109 C72 H110 107.7 . .
C68 C69 C70 111.7(9) . .
C68 C69 H103 109.3 . .
C70 C69 H103 109.3 . .
C68 C69 H104 109.3 . .
C70 C69 H104 109.3 . .
H103 C69 H104 107.9 . .
C67 C68 C69 110.5(10) . .
C67 C68 H101 109.6 . .
C69 C68 H101 109.6 . .
C67 C68 H102 109.6 . .
C69 C68 H102 109.6 . .
H101 C68 H102 108.1 . .
C74 C73 C78 113.8(6) . .
C74 C73 B1 127.4(5) . .
C78 C73 B1 118.7(6) . .
F1 C74 C73 121.8(5) . .
F1 C74 C75 113.9(6) . .
C73 C74 C75 124.3(6) . .
F4 C77 C76 121.4(6) . .
F4 C77 C78 120.0(8) . .
C76 C77 C78 118.6(7) . .
C75 C76 F3 121.2(7) . .
C75 C76 C77 119.9(6) . .
F3 C76 C77 118.8(7) . .
C76 C75 F2 119.3(6) . .
C76 C75 C74 119.3(7) . .
F2 C75 C74 121.4(7) . .
F5 C78 C73 119.5(6) . .
F5 C78 C77 116.5(6) . .
C73 C78 C77 124.0(7) . .
F14 C89 C88 119.0(6) . .
F14 C89 C90 121.2(7) . .
C88 C89 C90 119.8(6) . .
C94 C93 C92 120.1(7) . .
C94 C93 H112 120.0 . .
C92 C93 H112 120.0 . .
C101 C102 C97 109.0(18) . .
C101 C102 H126 109.9 . .
C97 C102 H126 109.9 . .
C101 C102 H127 109.9 . .
C97 C102 H127 109.9 . .
H126 C102 H127 108.3 . .
C100 C101 C102 107.2(16) . .
C100 C101 H124 110.3 . .
C102 C101 H124 110.3 . .
C100 C101 H125 110.3 . .
C102 C101 H125 110.3 . .
H124 C101 H125 108.5 . .
C97 C98 C99 109.2(19) . .
C97 C98 H117 109.8 . .
C99 C98 H117 109.8 . .
C97 C98 H118 109.8 . .
C99 C98 H118 109.8 . .
H117 C98 H118 108.3 . .
C100 C99 C98 105.4(17) . .
C100 C99 H119 110.7 . .
C98 C99 H119 110.7 . .
C100 C99 H120 110.7 . .
C98 C99 H120 110.7 . .
H119 C99 H120 108.8 . .
C98 C97 C102 107.7(17) . .
C98 C97 P4 107.9(17) . .
C102 C97 P4 114(2) . .
C98 C97 H116 109.2 . .
C102 C97 H116 109.2 . .
P4 C97 H116 109.2 . .
C99 C100 C101 108.1(16) . .
C99 C100 H121 110.1 . .
C101 C100 H121 110.1 . .
C99 C100 H122 110.1 . .
C101 C100 H122 110.1 . .
H121 C100 H122 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 P1 2.3014(14) .
Pd1 P2 2.3336(13) .
Pd1 Ge1 2.4166(7) .
Pd1 Pd2 2.9075(6) .
Pd1 H1 1.89(5) .
Pd2 P3 2.2936(14) .
Pd2 P4 2.3700(15) .
Pd2 Ge1 2.4314(7) .
Pd2 H1 1.67(5) .
Ge1 C1 2.037(5) .
Ge1 Cl1 2.2456(15) .
P2 C35 1.837(6) .
P2 C41 1.844(6) .
P2 C22 1.846(6) .
P3 C49 1.837(6) .
P3 C47 1.841(6) .
P3 C55 1.852(6) .
P4 C48 1.846(6) .
P4 C97 1.85(3) .
P4 C61 1.860(6) .
P4 C67 1.874(17) .
P1 C29 1.845(6) .
P1 C21 1.845(5) .
P1 C23 1.848(6) .
F6 C80 1.355(6) .
C47 C48 1.518(9) .
C47 H63 0.9900 .
C47 H64 0.9900 .
F7 C81 1.332(7) .
F13 C88 1.341(7) .
F11 C86 1.348(7) .
F10 C84 1.369(7) .
F15 C90 1.361(8) .
C2 C3 1.387(8) .
C2 C7 1.402(8) .
C2 C1 1.556(7) .
F9 C83 1.355(7) .
F16 C91 1.366(8) .
C18 C19 1.380(8) .
C18 C17 1.387(8) .
C18 H13 0.9500 .
C3 C4 1.381(9) .
C3 H2 0.9500 .
F12 C87 1.355(8) .
C19 C14 1.405(7) .
C19 C20 1.510(8) .
C1 C14 1.545(7) .
C1 C8 1.550(7) .
C15 C14 1.383(7) .
C15 C16 1.389(8) .
C15 H10 0.9500 .
C23 C28 1.540(8) .
C23 C24 1.541(8) .
C23 H19 1.0000 .
C61 C66 1.527(8) .
C61 C62 1.533(8) .
C61 H89 1.0000 .
C24 C25 1.533(8) .
C24 H20 0.9900 .
C24 H21 0.9900 .
F8 C82 1.355(7) .
C56 C57 1.524(8) .
C56 C55 1.531(8) .
C56 H79 0.9900 .
C56 H80 0.9900 .
C20 C7 1.514(8) .
C20 C13 1.527(8) .
C20 H14 1.0000 .
C6 C7 1.377(8) .
C6 C5 1.386(8) .
C6 H5 0.9500 .
C34 C33 1.532(9) .
C34 C29 1.540(8) .
C34 H39 0.9900 .
C34 H40 0.9900 .
C11 C10 1.382(8) .
C11 C12 1.395(8) .
C11 H8 0.9500 .
C12 C13 1.385(8) .
C12 H9 0.9500 .
C9 C10 1.383(8) .
C9 C8 1.392(7) .
C9 H6 0.9500 .
C13 C8 1.422(7) .
C17 C16 1.389(8) .
C17 H12 0.9500 .
C16 H11 0.9500 .
C41 C46 1.538(9) .
C41 C42 1.543(8) .
C41 H52 1.0000 .
C10 H7 0.9500 .
C96 C91 1.355(10) .
C96 C95 1.390(10) .
C96 H115 0.9500 .
C55 C60 1.529(8) .
C55 H78 1.0000 .
C49 C50 1.527(8) .
C49 C54 1.544(8) .
C49 H67 1.0000 .
C81 C80 1.386(8) .
C81 C82 1.389(9) .
C83 C82 1.350(10) .
C83 C84 1.378(10) .
C40 C35 1.530(8) .
C40 C39 1.534(8) .
C40 H50 0.9900 .
C40 H51 0.9900 .
C50 C51 1.534(9) .
C50 H68 0.9900 .
C50 H69 0.9900 .
C80 C79 1.377(8) .
C63 C64 1.512(8) .
C63 C62 1.539(9) .
C63 H92 0.9900 .
C63 H93 0.9900 .
C4 C5 1.384(9) .
C4 H3 0.9500 .
C29 C30 1.524(8) .
C29 H30 1.0000 .
C58 C57 1.510(9) .
C58 C59 1.527(9) .
C58 H83 0.9900 .
C58 H84 0.9900 .
C5 H4 0.9500 .
C86 C87 1.370(9) .
C86 C85 1.390(10) .
C36 C37 1.532(8) .
C36 C35 1.533(9) .
C36 H42 0.9900 .
C36 H43 0.9900 .
C64 C65 1.534(9) .
C64 H94 0.9900 .
C64 H95 0.9900 .
C88 C89 1.375(10) .
C88 C87 1.387(9) .
C42 C43 1.543(10) .
C42 H53 0.9900 .
C42 H54 0.9900 .
C27 C26 1.528(9) .
C27 C28 1.528(8) .
C27 H26 0.9900 .
C27 H27 0.9900 .
C94 C93 1.378(10) .
C94 C95 1.393(10) .
C94 H113 0.9500 .
C60 C59 1.535(8) .
C60 H87 0.9900 .
C60 H88 0.9900 .
C21 C22 1.517(7) .
C21 H15 0.9900 .
C21 H16 0.9900 .
C51 C52 1.521(9) .
C51 H70 0.9900 .
C51 H71 0.9900 .
C85 C90 1.397(9) .
C85 B1 1.662(9) .
C52 C53 1.516(9) .
C52 H72 0.9900 .
C52 H73 0.9900 .
C62 H90 0.9900 .
C62 H91 0.9900 .
C45 C44 1.518(11) .
C45 C46 1.523(9) .
C45 H59 0.9900 .
C45 H60 0.9900 .
C35 H41 1.0000 .
C67 C68 1.518(9) .
C67 C72 1.540(9) .
C67 H100 1.0000 .
C22 H17 0.9900 .
C22 H18 0.9900 .
C39 C38 1.510(10) .
C39 H48 0.9900 .
C39 H49 0.9900 .
C90 C89 1.375(9) .
C84 C79 1.378(9) .
C91 C92 1.372(10) .
C38 C37 1.512(9) .
C38 H46 0.9900 .
C38 H47 0.9900 .
C57 H81 0.9900 .
C57 H82 0.9900 .
C30 C31 1.532(9) .
C30 H31 0.9900 .
C30 H32 0.9900 .
C25 C26 1.511(9) .
C25 H22 0.9900 .
C25 H23 0.9900 .
C37 H44 0.9900 .
C37 H45 0.9900 .
C92 C93 1.391(10) .
C92 H111 0.9500 .
C54 C53 1.520(9) .
C54 H76 0.9900 .
C54 H77 0.9900 .
C79 B1 1.635(9) .
C59 H85 0.9900 .
C59 H86 0.9900 .
C32 C33 1.513(9) .
C32 C31 1.519(11) .
C32 H35 0.9900 .
C32 H36 0.9900 .
C53 H74 0.9900 .
C53 H75 0.9900 .
C46 H61 0.9900 .
C46 H62 0.9900 .
C28 H28 0.9900 .
C28 H29 0.9900 .
C31 H33 0.9900 .
C31 H34 0.9900 .
C48 H65 0.9900 .
C48 H66 0.9900 .
C33 H37 0.9900 .
C33 H38 0.9900 .
C66 C65 1.521(10) .
C66 H98 0.9900 .
C66 H99 0.9900 .
C95 H114 0.9500 .
B1 C73 1.659(9) .
B1 H123 1.1500 .
C26 H24 0.9900 .
C26 H25 0.9900 .
C65 H96 0.9900 .
C65 H97 0.9900 .
C44 C43 1.489(11) .
C44 H57 0.9900 .
C44 H58 0.9900 .
C43 H55 0.9900 .
C43 H56 0.9900 .
C70 C71 1.512(9) .
C70 C69 1.526(9) .
C70 H105 0.9900 .
C70 H106 0.9900 .
C71 C72 1.533(8) .
C71 H107 0.9900 .
C71 H108 0.9900 .
C72 H109 0.9900 .
C72 H110 0.9900 .
C69 C68 1.526(8) .
C69 H103 0.9900 .
C69 H104 0.9900 .
C68 H101 0.9900 .
C68 H102 0.9900 .
F1 C74 1.357(7) .
F5 C78 1.355(8) .
F14 C89 1.344(7) .
F2 C75 1.354(9) .
F4 C77 1.349(8) .
F3 C76 1.355(7) .
C73 C74 1.371(9) .
C73 C78 1.384(9) .
C74 C75 1.388(9) .
C77 C76 1.375(11) .
C77 C78 1.392(9) .
C76 C75 1.351(11) .
C93 H112 0.9500 .
C102 C101 1.535(10) .
C102 C97 1.537(10) .
C102 H126 0.9900 .
C102 H127 0.9900 .
C101 C100 1.525(10) .
C101 H124 0.9900 .
C101 H125 0.9900 .
C98 C97 1.533(10) .
C98 C99 1.540(10) .
C98 H117 0.9900 .
C98 H118 0.9900 .
C99 C100 1.525(10) .
C99 H119 0.9900 .
C99 H120 0.9900 .
C97 H116 1.0000 .
C100 H121 0.9900 .
C100 H122 0.9900 .
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
P1 Pd1 Pd2 P3 12.50(13) . . . .
P2 Pd1 Pd2 P3 -150.30(10) . . . .
Ge1 Pd1 Pd2 P3 21.86(9) . . . .
P1 Pd1 Pd2 P4 179.70(10) . . . .
P2 Pd1 Pd2 P4 16.90(7) . . . .
Ge1 Pd1 Pd2 P4 -170.94(5) . . . .
P1 Pd1 Pd2 Ge1 -9.36(9) . . . .
P2 Pd1 Pd2 Ge1 -172.16(5) . . . .
P1 Pd1 Ge1 C1 -62.76(19) . . . .
P2 Pd1 Ge1 C1 158.5(3) . . . .
Pd2 Pd1 Ge1 C1 121.35(19) . . . .
P1 Pd1 Ge1 Cl1 64.79(6) . . . .
P2 Pd1 Ge1 Cl1 -74.0(2) . . . .
Pd2 Pd1 Ge1 Cl1 -111.10(5) . . . .
P1 Pd1 Ge1 Pd2 175.90(4) . . . .
P2 Pd1 Ge1 Pd2 37.1(2) . . . .
P3 Pd2 Ge1 C1 64.35(18) . . . .
P4 Pd2 Ge1 C1 -74.7(3) . . . .
Pd1 Pd2 Ge1 C1 -125.89(18) . . . .
P3 Pd2 Ge1 Cl1 -64.27(6) . . . .
P4 Pd2 Ge1 Cl1 156.6(2) . . . .
Pd1 Pd2 Ge1 Cl1 105.49(5) . . . .
P3 Pd2 Ge1 Pd1 -169.76(4) . . . .
P4 Pd2 Ge1 Pd1 51.2(2) . . . .
P1 Pd1 P2 C35 105.6(2) . . . .
Ge1 Pd1 P2 C35 -114.7(3) . . . .
Pd2 Pd1 P2 C35 -81.7(2) . . . .
P1 Pd1 P2 C41 -126.2(2) . . . .
Ge1 Pd1 P2 C41 13.5(4) . . . .
Pd2 Pd1 P2 C41 46.5(2) . . . .
P1 Pd1 P2 C22 -11.1(2) . . . .
Ge1 Pd1 P2 C22 128.6(3) . . . .
Pd2 Pd1 P2 C22 161.58(19) . . . .
P4 Pd2 P3 C49 -127.5(2) . . . .
Ge1 Pd2 P3 C49 59.1(2) . . . .
Pd1 Pd2 P3 C49 41.5(2) . . . .
P4 Pd2 P3 C47 -13.2(2) . . . .
Ge1 Pd2 P3 C47 173.3(2) . . . .
Pd1 Pd2 P3 C47 155.7(2) . . . .
P4 Pd2 P3 C55 103.9(2) . . . .
Ge1 Pd2 P3 C55 -69.5(2) . . . .
Pd1 Pd2 P3 C55 -87.1(2) . . . .
P3 Pd2 P4 C48 -10.6(2) . . . .
Ge1 Pd2 P4 C48 129.3(3) . . . .
Pd1 Pd2 P4 C48 175.4(2) . . . .
P3 Pd2 P4 C97 106.7(12) . . . .
Ge1 Pd2 P4 C97 -113.4(12) . . . .
Pd1 Pd2 P4 C97 -67.3(12) . . . .
P3 Pd2 P4 C61 -125.8(2) . . . .
Ge1 Pd2 P4 C61 14.1(4) . . . .
Pd1 Pd2 P4 C61 60.2(2) . . . .
P3 Pd2 P4 C67 106.8(5) . . . .
Ge1 Pd2 P4 C67 -113.3(6) . . . .
Pd1 Pd2 P4 C67 -67.2(5) . . . .
P2 Pd1 P1 C29 109.0(2) . . . .
Ge1 Pd1 P1 C29 -63.4(2) . . . .
Pd2 Pd1 P1 C29 -55.8(2) . . . .
P2 Pd1 P1 C21 -6.5(2) . . . .
Ge1 Pd1 P1 C21 -178.9(2) . . . .
Pd2 Pd1 P1 C21 -171.2(2) . . . .
P2 Pd1 P1 C23 -123.0(2) . . . .
Ge1 Pd1 P1 C23 64.6(2) . . . .
Pd2 Pd1 P1 C23 72.3(2) . . . .
C49 P3 C47 C48 162.2(4) . . . .
C55 P3 C47 C48 -85.1(4) . . . .
Pd2 P3 C47 C48 41.6(5) . . . .
C7 C2 C3 C4 0.5(8) . . . .
C1 C2 C3 C4 179.9(5) . . . .
C17 C18 C19 C14 -2.1(8) . . . .
C17 C18 C19 C20 172.5(5) . . . .
C3 C2 C1 C14 128.5(6) . . . .
C7 C2 C1 C14 -52.1(6) . . . .
C3 C2 C1 C8 -125.2(6) . . . .
C7 C2 C1 C8 54.2(5) . . . .
C3 C2 C1 Ge1 1.5(7) . . . .
C7 C2 C1 Ge1 -179.0(4) . . . .
Cl1 Ge1 C1 C14 60.5(4) . . . .
Pd1 Ge1 C1 C14 -169.1(3) . . . .
Pd2 Ge1 C1 C14 -72.8(4) . . . .
Cl1 Ge1 C1 C8 -60.1(4) . . . .
Pd1 Ge1 C1 C8 70.2(4) . . . .
Pd2 Ge1 C1 C8 166.6(3) . . . .
Cl1 Ge1 C1 C2 -179.3(3) . . . .
Pd1 Ge1 C1 C2 -48.9(4) . . . .
Pd2 Ge1 C1 C2 47.4(4) . . . .
C29 P1 C23 C28 -83.6(5) . . . .
C21 P1 C23 C28 28.0(5) . . . .
Pd1 P1 C23 C28 146.5(4) . . . .
C29 P1 C23 C24 149.4(4) . . . .
C21 P1 C23 C24 -99.0(4) . . . .
Pd1 P1 C23 C24 19.5(4) . . . .
C48 P4 C61 C66 38.1(6) . . . .
C97 P4 C61 C66 -68.0(9) . . . .
C67 P4 C61 C66 -75.1(7) . . . .
Pd2 P4 C61 C66 152.6(4) . . . .
C48 P4 C61 C62 -88.9(5) . . . .
C97 P4 C61 C62 165.0(9) . . . .
C67 P4 C61 C62 157.9(6) . . . .
Pd2 P4 C61 C62 25.6(5) . . . .
C28 C23 C24 C25 56.7(6) . . . .
P1 C23 C24 C25 -172.8(4) . . . .
C18 C19 C20 C7 128.3(6) . . . .
C14 C19 C20 C7 -56.8(6) . . . .
C18 C19 C20 C13 -120.2(6) . . . .
C14 C19 C20 C13 54.7(6) . . . .
C5 C6 C7 C2 1.3(8) . . . .
C5 C6 C7 C20 -179.5(5) . . . .
C3 C2 C7 C6 -1.4(8) . . . .
C1 C2 C7 C6 179.1(5) . . . .
C3 C2 C7 C20 179.3(5) . . . .
C1 C2 C7 C20 -0.2(6) . . . .
C19 C20 C7 C6 -124.4(6) . . . .
C13 C20 C7 C6 124.6(6) . . . .
C19 C20 C7 C2 54.9(6) . . . .
C13 C20 C7 C2 -56.1(6) . . . .
C10 C11 C12 C13 2.2(8) . . . .
C11 C12 C13 C8 1.2(8) . . . .
C11 C12 C13 C20 -172.0(5) . . . .
C19 C20 C13 C12 119.7(6) . . . .
C7 C20 C13 C12 -127.6(6) . . . .
C19 C20 C13 C8 -54.0(6) . . . .
C7 C20 C13 C8 58.8(6) . . . .
C19 C18 C17 C16 -1.4(8) . . . .
C14 C15 C16 C17 0.9(8) . . . .
C18 C17 C16 C15 2.0(8) . . . .
C16 C15 C14 C19 -4.4(8) . . . .
C16 C15 C14 C1 -176.8(5) . . . .
C18 C19 C14 C15 5.0(8) . . . .
C20 C19 C14 C15 -170.2(5) . . . .
C18 C19 C14 C1 178.4(5) . . . .
C20 C19 C14 C1 3.1(6) . . . .
C8 C1 C14 C15 113.1(6) . . . .
C2 C1 C14 C15 -136.9(5) . . . .
Ge1 C1 C14 C15 -16.2(7) . . . .
C8 C1 C14 C19 -59.6(5) . . . .
C2 C1 C14 C19 50.3(6) . . . .
Ge1 C1 C14 C19 171.1(4) . . . .
C35 P2 C41 C46 178.7(4) . . . .
C22 P2 C41 C46 -71.9(5) . . . .
Pd1 P2 C41 C46 44.9(5) . . . .
C35 P2 C41 C42 -56.0(5) . . . .
C22 P2 C41 C42 53.4(5) . . . .
Pd1 P2 C41 C42 170.2(4) . . . .
C12 C11 C10 C9 -2.7(8) . . . .
C8 C9 C10 C11 -0.2(8) . . . .
C57 C56 C55 C60 -59.3(6) . . . .
C57 C56 C55 P3 169.6(4) . . . .
C49 P3 C55 C60 82.6(5) . . . .
C47 P3 C55 C60 -28.2(5) . . . .
Pd2 P3 C55 C60 -145.9(4) . . . .
C49 P3 C55 C56 -150.5(4) . . . .
C47 P3 C55 C56 98.7(4) . . . .
Pd2 P3 C55 C56 -18.9(5) . . . .
C47 P3 C49 C50 54.3(5) . . . .
C55 P3 C49 C50 -56.4(5) . . . .
Pd2 P3 C49 C50 169.1(4) . . . .
C47 P3 C49 C54 -74.7(4) . . . .
C55 P3 C49 C54 174.6(4) . . . .
Pd2 P3 C49 C54 40.1(4) . . . .
C10 C9 C8 C13 3.6(7) . . . .
C10 C9 C8 C1 176.8(5) . . . .
C12 C13 C8 C9 -4.1(7) . . . .
C20 C13 C8 C9 169.9(5) . . . .
C12 C13 C8 C1 -178.3(5) . . . .
C20 C13 C8 C1 -4.3(6) . . . .
C14 C1 C8 C9 -113.8(6) . . . .
C2 C1 C8 C9 135.5(5) . . . .
Ge1 C1 C8 C9 15.3(7) . . . .
C14 C1 C8 C13 59.7(5) . . . .
C2 C1 C8 C13 -51.0(5) . . . .
Ge1 C1 C8 C13 -171.2(4) . . . .
C54 C49 C50 C51 -52.6(7) . . . .
P3 C49 C50 C51 178.3(4) . . . .
F7 C81 C80 F6 2.7(8) . . . .
C82 C81 C80 F6 -177.8(5) . . . .
F7 C81 C80 C79 179.5(5) . . . .
C82 C81 C80 C79 -1.0(9) . . . .
C2 C3 C4 C5 0.6(9) . . . .
C33 C34 C29 C30 -56.5(7) . . . .
C33 C34 C29 P1 172.4(4) . . . .
C21 P1 C29 C30 -58.2(5) . . . .
C23 P1 C29 C30 51.8(5) . . . .
Pd1 P1 C29 C30 -174.4(4) . . . .
C21 P1 C29 C34 69.4(5) . . . .
C23 P1 C29 C34 179.3(4) . . . .
Pd1 P1 C29 C34 -46.8(4) . . . .
C3 C4 C5 C6 -0.8(9) . . . .
C7 C6 C5 C4 -0.2(8) . . . .
C62 C63 C64 C65 56.3(7) . . . .
C46 C41 C42 C43 -53.1(7) . . . .
P2 C41 C42 C43 -178.3(5) . . . .
C56 C55 C60 C59 60.5(6) . . . .
P3 C55 C60 C59 -171.4(4) . . . .
C29 P1 C21 C22 -91.5(4) . . . .
C23 P1 C21 C22 155.1(4) . . . .
Pd1 P1 C21 C22 28.2(4) . . . .
C49 C50 C51 C52 52.2(7) . . . .
F11 C86 C85 C90 178.0(5) . . . .
C87 C86 C85 C90 -2.2(9) . . . .
F11 C86 C85 B1 -9.3(10) . . . .
C87 C86 C85 B1 170.4(6) . . . .
C50 C51 C52 C53 -54.7(7) . . . .
C66 C61 C62 C63 54.5(7) . . . .
P4 C61 C62 C63 -175.6(4) . . . .
C64 C63 C62 C61 -55.5(7) . . . .
F9 C83 C82 F8 0.2(10) . . . .
C84 C83 C82 F8 -178.8(6) . . . .
F9 C83 C82 C81 176.6(6) . . . .
C84 C83 C82 C81 -2.5(10) . . . .
F7 C81 C82 C83 -176.9(6) . . . .
C80 C81 C82 C83 3.6(9) . . . .
F7 C81 C82 F8 -0.5(9) . . . .
C80 C81 C82 F8 -180.0(5) . . . .
C39 C40 C35 C36 -55.7(7) . . . .
C39 C40 C35 P2 -178.5(4) . . . .
C37 C36 C35 C40 55.2(7) . . . .
C37 C36 C35 P2 179.4(4) . . . .
C41 P2 C35 C40 -63.2(5) . . . .
C22 P2 C35 C40 -172.1(4) . . . .
Pd1 P2 C35 C40 70.0(5) . . . .
C41 P2 C35 C36 173.7(4) . . . .
C22 P2 C35 C36 64.8(5) . . . .
Pd1 P2 C35 C36 -53.0(5) . . . .
C48 P4 C67 C68 -77.7(11) . . . .
C97 P4 C67 C68 -14(8) . . . .
C61 P4 C67 C68 34.5(12) . . . .
Pd2 P4 C67 C68 166.4(9) . . . .
C48 P4 C67 C72 53.8(11) . . . .
C97 P4 C67 C72 117(9) . . . .
C61 P4 C67 C72 166.1(9) . . . .
Pd2 P4 C67 C72 -62.1(12) . . . .
P1 C21 C22 P2 -39.4(5) . . . .
C35 P2 C22 C21 -94.3(4) . . . .
C41 P2 C22 C21 155.1(4) . . . .
Pd1 P2 C22 C21 31.2(4) . . . .
C35 C40 C39 C38 56.7(7) . . . .
C86 C85 C90 F15 -179.9(5) . . . .
B1 C85 C90 F15 6.6(8) . . . .
C86 C85 C90 C89 2.2(9) . . . .
B1 C85 C90 C89 -171.3(6) . . . .
C82 C83 C84 F10 176.7(6) . . . .
F9 C83 C84 F10 -2.4(9) . . . .
C82 C83 C84 C79 -1.5(11) . . . .
F9 C83 C84 C79 179.5(6) . . . .
F11 C86 C87 F12 0.6(9) . . . .
C85 C86 C87 F12 -179.2(6) . . . .
F11 C86 C87 C88 -178.6(6) . . . .
C85 C86 C87 C88 1.6(11) . . . .
F13 C88 C87 F12 1.7(10) . . . .
C89 C88 C87 F12 -179.9(6) . . . .
F13 C88 C87 C86 -179.1(6) . . . .
C89 C88 C87 C86 -0.6(10) . . . .
C95 C96 C91 F16 -179.2(6) . . . .
C95 C96 C91 C92 0.2(10) . . . .
C40 C39 C38 C37 -56.4(7) . . . .
C59 C58 C57 C56 -53.7(7) . . . .
C55 C56 C57 C58 56.1(7) . . . .
C34 C29 C30 C31 54.6(7) . . . .
P1 C29 C30 C31 -178.3(5) . . . .
C23 C24 C25 C26 -56.6(7) . . . .
C39 C38 C37 C36 55.1(8) . . . .
C35 C36 C37 C38 -54.8(8) . . . .
C96 C91 C92 C93 0.8(10) . . . .
F16 C91 C92 C93 -179.7(5) . . . .
C50 C49 C54 C53 56.1(7) . . . .
P3 C49 C54 C53 -172.3(4) . . . .
F6 C80 C79 C84 174.1(5) . . . .
C81 C80 C79 C84 -2.6(9) . . . .
F6 C80 C79 B1 -6.5(9) . . . .
C81 C80 C79 B1 176.8(6) . . . .
F10 C84 C79 C80 -174.2(5) . . . .
C83 C84 C79 C80 3.9(9) . . . .
F10 C84 C79 B1 6.3(9) . . . .
C83 C84 C79 B1 -175.6(6) . . . .
C57 C58 C59 C60 55.2(7) . . . .
C55 C60 C59 C58 -58.9(6) . . . .
C51 C52 C53 C54 58.2(7) . . . .
C49 C54 C53 C52 -58.8(7) . . . .
C44 C45 C46 C41 -55.3(8) . . . .
C42 C41 C46 C45 54.4(7) . . . .
P2 C41 C46 C45 -178.7(5) . . . .
C26 C27 C28 C23 57.7(7) . . . .
C24 C23 C28 C27 -57.1(6) . . . .
P1 C23 C28 C27 175.9(4) . . . .
C33 C32 C31 C30 56.1(7) . . . .
C29 C30 C31 C32 -55.2(7) . . . .
P3 C47 C48 P4 -53.5(5) . . . .
C97 P4 C48 C47 -93.9(8) . . . .
C61 P4 C48 C47 161.5(4) . . . .
C67 P4 C48 C47 -85.3(5) . . . .
Pd2 P4 C48 C47 38.9(5) . . . .
C31 C32 C33 C34 -56.0(7) . . . .
C29 C34 C33 C32 56.8(7) . . . .
C62 C61 C66 C65 -56.3(8) . . . .
P4 C61 C66 C65 176.7(5) . . . .
C91 C96 C95 C94 -0.7(10) . . . .
C93 C94 C95 C96 0.2(10) . . . .
C80 C79 B1 C73 92.9(7) . . . .
C84 C79 B1 C73 -87.7(7) . . . .
C80 C79 B1 C85 -32.3(8) . . . .
C84 C79 B1 C85 147.1(6) . . . .
C86 C85 B1 C79 124.5(6) . . . .
C90 C85 B1 C79 -63.3(7) . . . .
C86 C85 B1 C73 -0.6(9) . . . .
C90 C85 B1 C73 171.7(5) . . . .
C24 C25 C26 C27 56.6(7) . . . .
C28 C27 C26 C25 -57.6(7) . . . .
C61 C66 C65 C64 57.5(8) . . . .
C63 C64 C65 C66 -57.0(8) . . . .
C46 C45 C44 C43 56.1(9) . . . .
C45 C44 C43 C42 -56.1(10) . . . .
C41 C42 C43 C44 54.6(9) . . . .
C69 C70 C71 C72 -57.0(15) . . . .
C70 C71 C72 C67 53.7(16) . . . .
C68 C67 C72 C71 -51.3(18) . . . .
P4 C67 C72 C71 174.2(9) . . . .
C71 C70 C69 C68 60.4(14) . . . .
C72 C67 C68 C69 52.5(17) . . . .
P4 C67 C68 C69 -175.2(9) . . . .
C70 C69 C68 C67 -58.2(14) . . . .
C79 B1 C73 C74 -7.8(8) . . . .
C85 B1 C73 C74 117.5(6) . . . .
C79 B1 C73 C78 168.9(5) . . . .
C85 B1 C73 C78 -65.8(7) . . . .
C78 C73 C74 F1 179.9(5) . . . .
B1 C73 C74 F1 -3.1(9) . . . .
C78 C73 C74 C75 1.4(9) . . . .
B1 C73 C74 C75 178.3(6) . . . .
F4 C77 C76 C75 -179.9(6) . . . .
C78 C77 C76 C75 1.4(10) . . . .
F4 C77 C76 F3 -0.3(10) . . . .
C78 C77 C76 F3 -179.1(6) . . . .
F3 C76 C75 F2 -0.4(9) . . . .
C77 C76 C75 F2 179.1(6) . . . .
F3 C76 C75 C74 179.8(6) . . . .
C77 C76 C75 C74 -0.7(10) . . . .
F1 C74 C75 C76 -179.4(5) . . . .
C73 C74 C75 C76 -0.8(10) . . . .
F1 C74 C75 F2 0.8(8) . . . .
C73 C74 C75 F2 179.5(6) . . . .
C74 C73 C78 F5 179.8(5) . . . .
B1 C73 C78 F5 2.6(9) . . . .
C74 C73 C78 C77 -0.6(9) . . . .
B1 C73 C78 C77 -177.8(6) . . . .
F4 C77 C78 F5 0.1(9) . . . .
C76 C77 C78 F5 178.9(6) . . . .
F4 C77 C78 C73 -179.5(6) . . . .
C76 C77 C78 C73 -0.7(10) . . . .
F13 C88 C89 F14 0.1(10) . . . .
C87 C88 C89 F14 -178.4(6) . . . .
F13 C88 C89 C90 179.0(6) . . . .
C87 C88 C89 C90 0.6(10) . . . .
F15 C90 C89 F14 -0.5(9) . . . .
C85 C90 C89 F14 177.4(6) . . . .
F15 C90 C89 C88 -179.4(6) . . . .
C85 C90 C89 C88 -1.5(10) . . . .
C95 C94 C93 C92 0.9(10) . . . .
C91 C92 C93 C94 -1.4(9) . . . .
C97 C102 C101 C100 -62(2) . . . .
C97 C98 C99 C100 65(2) . . . .
C99 C98 C97 C102 -62(3) . . . .
C99 C98 C97 P4 174.9(16) . . . .
C101 C102 C97 C98 60(3) . . . .
C101 C102 C97 P4 179.7(14) . . . .
C48 P4 C97 C98 97.3(18) . . . .
C61 P4 C97 C98 -154.3(17) . . . .
C67 P4 C97 C98 -21(7) . . . .
Pd2 P4 C97 C98 -21(2) . . . .
C48 P4 C97 C102 -22.1(18) . . . .
C61 P4 C97 C102 86.4(17) . . . .
C67 P4 C97 C102 -141(10) . . . .
Pd2 P4 C97 C102 -140.1(12) . . . .
C98 C99 C100 C101 -67(2) . . . .
C102 C101 C100 C99 66(2) . . . .
