#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:53:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179133 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/95/4309553.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_4309553
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Rolfe H. Herber'
'Mikael Johansson'
'Israel Nowik'
'Jack L. Smith'
'Mark D. Smith'
_publ_section_title
;
Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to
Re-Sn and Re-Ge Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6346
_journal_page_last               6358
_journal_paper_doi               10.1021/ic051077x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C44 H47 Ge2 O8 P Pt Re2'
_chemical_formula_sum            'C44 H47 Ge2 O8 P Pt Re2'
_chemical_formula_weight         1447.46
_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                105.0460(10)
_cell_angle_beta                 109.3420(10)
_cell_angle_gamma                94.8710(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7436(4)
_cell_length_b                   14.5720(5)
_cell_length_c                   14.9178(6)
_cell_measurement_reflns_used    7545
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.13
_cell_measurement_theta_min      2.42
_cell_volume                     2284.91(15)
_computing_cell_refinement       'SAINT+  V6.2 (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT+  V6.2'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24390
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    9.713
_exptl_absorpt_correction_T_max  0.379
_exptl_absorpt_correction_T_min  0.248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.658
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         11266
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0321
_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)+(0.0315P)²+0.9069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                9535
_reflns_number_total             11266
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051077xsi20050630_094020.cif
_cod_data_source_block           Re2Ge2Pt1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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        2284.91(14)
_cod_database_code               4309553
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
Pt1 Pt 0.254649(18) 0.272890(14) 0.534562(14) 0.03686(6) Uani 1 1 d . . .
Re1 Re 0.062182(17) 0.291298(13) 0.368038(14) 0.03079(5) Uani 1 1 d . . .
Re2 Re 0.091713(18) 0.185436(13) 0.170835(14) 0.03367(5) Uani 1 1 d . . .
P1 P 0.38401(12) 0.30404(10) 0.70043(10) 0.0393(3) Uani 1 1 d . . .
Ge1 Ge 0.21267(5) 0.16866(3) 0.35005(4) 0.03211(11) Uani 1 1 d . . .
Ge2 Ge -0.06613(5) 0.29365(4) 0.19137(4) 0.03344(11) Uani 1 1 d . . .
O11 O -0.1334(4) 0.1124(3) 0.3296(3) 0.0606(11) Uani 1 1 d . . .
O12 O -0.1129(4) 0.4299(3) 0.4036(3) 0.0655(12) Uani 1 1 d . . .
O13 O 0.2664(4) 0.4692(3) 0.4186(3) 0.0642(12) Uani 1 1 d . . .
O14 O 0.0494(4) 0.3357(3) 0.5779(3) 0.0606(11) Uani 1 1 d . . .
O21 O 0.2743(5) 0.3690(3) 0.2022(4) 0.0821(15) Uani 1 1 d . . .
O22 O -0.1016(4) 0.0040(3) 0.1305(3) 0.0668(12) Uani 1 1 d . . .
O23 O 0.2704(4) 0.0558(3) 0.1205(4) 0.0750(14) Uani 1 1 d . . .
O24 O -0.0273(5) 0.1833(4) -0.0471(3) 0.0831(15) Uani 1 1 d . . .
C11 C -0.0609(5) 0.1770(4) 0.3429(4) 0.0411(12) Uani 1 1 d . . .
C12 C -0.0490(5) 0.3779(4) 0.3847(4) 0.0452(13) Uani 1 1 d . . .
C13 C 0.1918(5) 0.4041(4) 0.3988(4) 0.0425(12) Uani 1 1 d . . .
C14 C 0.0957(5) 0.3124(4) 0.5176(4) 0.0414(12) Uani 1 1 d . . .
C21 C 0.2095(6) 0.3023(4) 0.1938(4) 0.0498(14) Uani 1 1 d . . .
C22 C -0.0309(5) 0.0706(4) 0.1481(4) 0.0427(12) Uani 1 1 d . . .
C23 C 0.2048(5) 0.1040(4) 0.1423(4) 0.0477(13) Uani 1 1 d . . .
C24 C 0.0157(6) 0.1843(4) 0.0344(4) 0.0501(14) Uani 1 1 d . . .
C31 C 0.3907(5) 0.1938(4) 0.3788(4) 0.0384(11) Uani 1 1 d . . .
C32 C 0.4558(5) 0.1188(4) 0.3777(5) 0.0564(15) Uani 1 1 d . . .
H32 H 0.4145 0.0566 0.3647 0.068 Uiso 1 1 calc R . .
C33 C 0.5813(6) 0.1334(5) 0.3955(6) 0.072(2) Uani 1 1 d . . .
H33 H 0.6229 0.0819 0.3943 0.086 Uiso 1 1 calc R . .
C34 C 0.6418(6) 0.2241(5) 0.4145(5) 0.0663(18) Uani 1 1 d . . .
H34 H 0.7257 0.2349 0.4273 0.080 Uiso 1 1 calc R . .
C35 C 0.5801(6) 0.2999(5) 0.4148(5) 0.0569(15) Uani 1 1 d . . .
H35 H 0.6218 0.3616 0.4268 0.068 Uiso 1 1 calc R . .
C36 C 0.4560(5) 0.2845(4) 0.3974(4) 0.0473(13) Uani 1 1 d . . .
H36 H 0.4152 0.3365 0.3982 0.057 Uiso 1 1 calc R . .
C37 C 0.1721(4) 0.0386(3) 0.3596(4) 0.0351(11) Uani 1 1 d . . .
C38 C 0.1683(5) -0.0454(4) 0.2871(4) 0.0473(13) Uani 1 1 d . . .
H38 H 0.1832 -0.0410 0.2308 0.057 Uiso 1 1 calc R . .
C39 C 0.1424(5) -0.1356(4) 0.2981(5) 0.0522(14) Uani 1 1 d . . .
H39 H 0.1382 -0.1910 0.2482 0.063 Uiso 1 1 calc R . .
C40 C 0.1231(5) -0.1443(4) 0.3810(5) 0.0572(16) Uani 1 1 d . . .
H40 H 0.1102 -0.2048 0.3895 0.069 Uiso 1 1 calc R . .
C41 C 0.1228(6) -0.0627(5) 0.4513(5) 0.0640(18) Uani 1 1 d . . .
H41 H 0.1052 -0.0680 0.5064 0.077 Uiso 1 1 calc R . .
C42 C 0.1484(5) 0.0277(4) 0.4411(4) 0.0507(14) Uani 1 1 d . . .
H42 H 0.1497 0.0825 0.4905 0.061 Uiso 1 1 calc R . .
C43 C -0.0599(5) 0.4138(3) 0.1560(4) 0.0378(11) Uani 1 1 d . . .
C44 C 0.0179(6) 0.4986(4) 0.2186(5) 0.0591(17) Uani 1 1 d . . .
H44 H 0.0694 0.5007 0.2821 0.071 Uiso 1 1 calc R . .
C45 C 0.0213(7) 0.5813(5) 0.1893(6) 0.073(2) Uani 1 1 d . . .
H45 H 0.0757 0.6378 0.2328 0.087 Uiso 1 1 calc R . .
C46 C -0.0543(6) 0.5804(5) 0.0974(5) 0.0638(18) Uani 1 1 d . . .
H46 H -0.0523 0.6360 0.0779 0.077 Uiso 1 1 calc R . .
C47 C -0.1330(6) 0.4968(5) 0.0342(5) 0.0648(18) Uani 1 1 d . . .
H47 H -0.1845 0.4953 -0.0290 0.078 Uiso 1 1 calc R . .
C48 C -0.1367(6) 0.4146(4) 0.0635(4) 0.0556(15) Uani 1 1 d . . .
H48 H -0.1921 0.3587 0.0200 0.067 Uiso 1 1 calc R . .
C49 C -0.2409(5) 0.2295(4) 0.1327(4) 0.0406(12) Uani 1 1 d . . .
C50 C -0.2888(5) 0.1615(4) 0.0385(4) 0.0512(14) Uani 1 1 d . . .
H50 H -0.2380 0.1461 0.0026 0.061 Uiso 1 1 calc R . .
C51 C -0.4106(6) 0.1165(4) -0.0023(5) 0.0615(17) Uani 1 1 d . . .
H51 H -0.4417 0.0720 -0.0659 0.074 Uiso 1 1 calc R . .
C52 C -0.4855(6) 0.1372(5) 0.0502(5) 0.0633(18) Uani 1 1 d . . .
H52 H -0.5674 0.1062 0.0229 0.076 Uiso 1 1 calc R . .
C53 C -0.4401(6) 0.2033(5) 0.1430(5) 0.0680(18) Uani 1 1 d . . .
H53 H -0.4913 0.2179 0.1787 0.082 Uiso 1 1 calc R . .
C54 C -0.3183(6) 0.2487(5) 0.1840(5) 0.0583(16) Uani 1 1 d . . .
H54 H -0.2882 0.2932 0.2476 0.070 Uiso 1 1 calc R . .
C55 C 0.5355(6) 0.2668(5) 0.7048(4) 0.0614(17) Uani 1 1 d . . .
C56 C 0.6062(6) 0.3352(6) 0.6701(5) 0.084(2) Uani 1 1 d . . .
H56A H 0.6765 0.3102 0.6623 0.127 Uiso 1 1 calc R . .
H56B H 0.6327 0.3981 0.7189 0.127 Uiso 1 1 calc R . .
H56C H 0.5535 0.3402 0.6074 0.127 Uiso 1 1 calc R . .
C57 C 0.5100(7) 0.1656(6) 0.6307(5) 0.086(3) Uani 1 1 d . . .
H57A H 0.4406 0.1598 0.5717 0.129 Uiso 1 1 calc R . .
H57B H 0.4928 0.1179 0.6607 0.129 Uiso 1 1 calc R . .
H57C H 0.5808 0.1556 0.6133 0.129 Uiso 1 1 calc R . .
C58 C 0.6215(6) 0.2646(6) 0.8078(5) 0.078(2) Uani 1 1 d . . .
H58A H 0.5869 0.2126 0.8248 0.117 Uiso 1 1 calc R . .
H58B H 0.6307 0.3249 0.8572 0.117 Uiso 1 1 calc R . .
H58C H 0.7004 0.2551 0.8053 0.117 Uiso 1 1 calc R . .
C59 C 0.3172(6) 0.2373(4) 0.7717(4) 0.0518(14) Uani 1 1 d . . .
C60 C 0.3287(7) 0.1307(5) 0.7439(5) 0.081(2) Uani 1 1 d . . .
H60A H 0.2787 0.0955 0.7681 0.121 Uiso 1 1 calc R . .
H60B H 0.4129 0.1253 0.7736 0.121 Uiso 1 1 calc R . .
H60C H 0.3016 0.1044 0.6727 0.121 Uiso 1 1 calc R . .
C61 C 0.3778(6) 0.2809(5) 0.8869(5) 0.0700(19) Uani 1 1 d . . .
H61A H 0.3672 0.3468 0.9065 0.105 Uiso 1 1 calc R . .
H61B H 0.4639 0.2787 0.9079 0.105 Uiso 1 1 calc R . .
H61C H 0.3398 0.2440 0.9177 0.105 Uiso 1 1 calc R . .
C62 C 0.1801(5) 0.2369(5) 0.7391(5) 0.0651(18) Uani 1 1 d . . .
H62A H 0.1418 0.2066 0.6683 0.098 Uiso 1 1 calc R . .
H62B H 0.1667 0.3023 0.7555 0.098 Uiso 1 1 calc R . .
H62C H 0.1452 0.2017 0.7729 0.098 Uiso 1 1 calc R . .
C63 C 0.4117(5) 0.4407(4) 0.7636(4) 0.0481(13) Uani 1 1 d . . .
C64 C 0.5254(6) 0.4807(5) 0.8596(4) 0.0686(19) Uani 1 1 d . . .
H64A H 0.5977 0.4703 0.8449 0.103 Uiso 1 1 calc R . .
H64B H 0.5197 0.4482 0.9067 0.103 Uiso 1 1 calc R . .
H64C H 0.5300 0.5488 0.8875 0.103 Uiso 1 1 calc R . .
C65 C 0.2998(6) 0.4680(5) 0.7867(5) 0.0651(18) Uani 1 1 d . . .
H65A H 0.3087 0.5372 0.8081 0.098 Uiso 1 1 calc R . .
H65B H 0.2932 0.4431 0.8388 0.098 Uiso 1 1 calc R . .
H65C H 0.2271 0.4410 0.7279 0.098 Uiso 1 1 calc R . .
C66 C 0.4226(6) 0.4931(5) 0.6899(5) 0.0673(19) Uani 1 1 d . . .
H66A H 0.3481 0.4736 0.6320 0.101 Uiso 1 1 calc R . .
H66B H 0.4903 0.4770 0.6704 0.101 Uiso 1 1 calc R . .
H66C H 0.4362 0.5617 0.7209 0.101 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'
O O 0.0106 0.0060 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
C14 Pt1 P1 114.40(16) . . ?
C14 Pt1 Ge1 100.14(15) . . ?
P1 Pt1 Ge1 143.61(4) . . ?
C14 Pt1 Re1 46.63(15) . . ?
P1 Pt1 Re1 158.76(3) . . ?
Ge1 Pt1 Re1 57.596(12) . . ?
C12 Re1 C11 92.2(2) . . ?
C12 Re1 C13 89.5(2) . . ?
C11 Re1 C13 177.1(2) . . ?
C12 Re1 C14 81.3(2) . . ?
C11 Re1 C14 85.9(2) . . ?
C13 Re1 C14 92.0(2) . . ?
C12 Re1 Ge2 74.00(15) . . ?
C11 Re1 Ge2 86.46(15) . . ?
C13 Re1 Ge2 96.31(15) . . ?
C14 Re1 Ge2 153.77(14) . . ?
C12 Re1 Ge1 177.60(17) . . ?
C11 Re1 Ge1 86.13(15) . . ?
C13 Re1 Ge1 92.08(15) . . ?
C14 Re1 Ge1 96.87(14) . . ?
Ge2 Re1 Ge1 107.618(17) . . ?
C12 Re1 Pt1 121.47(15) . . ?
C11 Re1 Pt1 99.69(15) . . ?
C13 Re1 Pt1 77.37(15) . . ?
C14 Re1 Pt1 43.48(14) . . ?
Ge2 Re1 Pt1 162.714(15) . . ?
Ge1 Re1 Pt1 57.203(12) . . ?
C12 Re1 Re2 127.03(15) . . ?
C11 Re1 Re2 87.74(15) . . ?
C13 Re1 Re2 93.14(15) . . ?
C14 Re1 Re2 151.27(14) . . ?
Ge2 Re1 Re2 53.111(13) . . ?
Ge1 Re1 Re2 54.713(12) . . ?
Pt1 Re1 Re2 110.643(8) . . ?
C24 Re2 C23 93.8(2) . . ?
C24 Re2 C21 88.4(2) . . ?
C23 Re2 C21 90.7(2) . . ?
C24 Re2 C22 91.2(2) . . ?
C23 Re2 C22 91.2(2) . . ?
C21 Re2 C22 178.1(2) . . ?
C24 Re2 Ge2 80.76(18) . . ?
C23 Re2 Ge2 174.55(17) . . ?
C21 Re2 Ge2 88.84(17) . . ?
C22 Re2 Ge2 89.26(15) . . ?
C24 Re2 Ge1 172.18(17) . . ?
C23 Re2 Ge1 78.46(17) . . ?
C21 Re2 Ge1 92.81(17) . . ?
C22 Re2 Ge1 87.80(15) . . ?
Ge2 Re2 Ge1 106.979(16) . . ?
C24 Re2 Re1 133.76(17) . . ?
C23 Re2 Re1 132.26(17) . . ?
C21 Re2 Re1 87.39(16) . . ?
C22 Re2 Re1 91.50(15) . . ?
Ge2 Re2 Re1 53.137(12) . . ?
Ge1 Re2 Re1 54.045(12) . . ?
C55 P1 C59 108.2(3) . . ?
C55 P1 C63 109.2(3) . . ?
C59 P1 C63 109.3(3) . . ?
C55 P1 Pt1 109.47(19) . . ?
C59 P1 Pt1 113.26(19) . . ?
C63 P1 Pt1 107.28(18) . . ?
C37 Ge1 C31 106.7(2) . . ?
C37 Ge1 Pt1 99.68(15) . . ?
C31 Ge1 Pt1 89.15(14) . . ?
C37 Ge1 Re1 119.06(14) . . ?
C31 Ge1 Re1 129.96(15) . . ?
Pt1 Ge1 Re1 65.201(13) . . ?
C37 Ge1 Re2 113.19(14) . . ?
C31 Ge1 Re2 109.43(15) . . ?
Pt1 Ge1 Re2 134.33(2) . . ?
Re1 Ge1 Re2 71.242(14) . . ?
C43 Ge2 C49 106.2(2) . . ?
C43 Ge2 Re2 119.39(15) . . ?
C49 Ge2 Re2 116.73(15) . . ?
C43 Ge2 Re1 120.58(15) . . ?
C49 Ge2 Re1 118.00(15) . . ?
Re2 Ge2 Re1 73.752(15) . . ?
O11 C11 Re1 178.4(5) . . ?
O12 C12 Re1 173.8(5) . . ?
O13 C13 Re1 178.5(5) . . ?
O14 C14 Pt1 128.9(4) . . ?
O14 C14 Re1 141.2(4) . . ?
Pt1 C14 Re1 89.9(2) . . ?
O21 C21 Re2 176.6(6) . . ?
O22 C22 Re2 176.8(5) . . ?
O23 C23 Re2 176.6(5) . . ?
O24 C24 Re2 178.6(6) . . ?
C36 C31 C32 116.7(5) . . ?
C36 C31 Ge1 122.8(4) . . ?
C32 C31 Ge1 120.5(4) . . ?
C31 C32 C33 122.2(6) . . ?
C31 C32 H32 118.9 . . ?
C33 C32 H32 118.9 . . ?
C34 C33 C32 119.0(6) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C33 C34 C35 120.4(6) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 120.0(6) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 121.7(5) . . ?
C35 C36 H36 119.1 . . ?
C31 C36 H36 119.1 . . ?
C42 C37 C38 117.2(5) . . ?
C42 C37 Ge1 120.2(4) . . ?
C38 C37 Ge1 122.6(4) . . ?
C39 C38 C37 120.7(5) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C40 C39 C38 121.0(5) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C41 119.0(5) . . ?
C39 C40 H40 120.5 . . ?
C41 C40 H40 120.5 . . ?
C40 C41 C42 120.4(6) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C37 C42 C41 121.7(5) . . ?
C37 C42 H42 119.2 . . ?
C41 C42 H42 119.2 . . ?
C44 C43 C48 117.3(5) . . ?
C44 C43 Ge2 123.4(4) . . ?
C48 C43 Ge2 119.3(4) . . ?
C43 C44 C45 121.3(6) . . ?
C43 C44 H44 119.3 . . ?
C45 C44 H44 119.3 . . ?
C46 C45 C44 120.4(6) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C47 119.1(6) . . ?
C45 C46 H46 120.4 . . ?
C47 C46 H46 120.4 . . ?
C46 C47 C48 120.4(6) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C47 C48 C43 121.3(6) . . ?
C47 C48 H48 119.3 . . ?
C43 C48 H48 119.3 . . ?
C54 C49 C50 117.7(5) . . ?
C54 C49 Ge2 121.4(4) . . ?
C50 C49 Ge2 120.8(4) . . ?
C51 C50 C49 120.8(6) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C52 C51 C50 120.2(6) . . ?
C52 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C51 C52 C53 119.8(6) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C52 C53 C54 120.1(6) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C49 C54 C53 121.3(6) . . ?
C49 C54 H54 119.4 . . ?
C53 C54 H54 119.4 . . ?
C57 C55 C56 106.7(6) . . ?
C57 C55 C58 107.9(5) . . ?
C56 C55 C58 107.7(6) . . ?
C57 C55 P1 108.8(5) . . ?
C56 C55 P1 109.8(4) . . ?
C58 C55 P1 115.5(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C62 C59 C60 105.4(5) . . ?
C62 C59 C61 109.4(5) . . ?
C60 C59 C61 108.0(5) . . ?
C62 C59 P1 108.8(4) . . ?
C60 C59 P1 110.9(5) . . ?
C61 C59 P1 114.0(4) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C66 C63 C65 105.2(5) . . ?
C66 C63 C64 108.6(5) . . ?
C65 C63 C64 108.4(5) . . ?
C66 C63 P1 108.9(4) . . ?
C65 C63 P1 110.0(4) . . ?
C64 C63 P1 115.2(4) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 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
Pt1 C14 1.956(5) . ?
Pt1 P1 2.3337(13) . ?
Pt1 Ge1 2.6324(5) . ?
Pt1 Re1 2.8428(3) . ?
Re1 C12 1.921(5) . ?
Re1 C11 1.978(6) . ?
Re1 C13 1.987(6) . ?
Re1 C14 2.067(5) . ?
Re1 Ge2 2.5773(5) . ?
Re1 Ge1 2.6439(5) . ?
Re1 Re2 3.0927(3) . ?
Re2 C24 1.928(6) . ?
Re2 C23 1.932(6) . ?
Re2 C21 1.978(6) . ?
Re2 C22 1.991(5) . ?
Re2 Ge2 2.5765(5) . ?
Re2 Ge1 2.6661(5) . ?
P1 C55 1.889(6) . ?
P1 C59 1.911(6) . ?
P1 C63 1.916(6) . ?
Ge1 C37 1.967(5) . ?
Ge1 C31 1.971(5) . ?
Ge2 C43 1.957(5) . ?
Ge2 C49 1.978(5) . ?
O11 C11 1.142(6) . ?
O12 C12 1.159(6) . ?
O13 C13 1.139(6) . ?
O14 C14 1.189(6) . ?
O21 C21 1.135(6) . ?
O22 C22 1.134(6) . ?
O23 C23 1.154(6) . ?
O24 C24 1.148(6) . ?
C31 C36 1.381(7) . ?
C31 C32 1.386(7) . ?
C32 C33 1.395(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.358(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.371(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.381(8) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.377(7) . ?
C37 C38 1.394(7) . ?
C38 C39 1.386(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.363(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.367(9) . ?
C40 H40 0.9300 . ?
C41 C42 1.386(8) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.370(7) . ?
C43 C48 1.380(7) . ?
C44 C45 1.387(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.360(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.364(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.379(8) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C54 1.372(8) . ?
C49 C50 1.389(7) . ?
C50 C51 1.380(8) . ?
C50 H50 0.9300 . ?
C51 C52 1.363(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.363(9) . ?
C52 H52 0.9300 . ?
C53 C54 1.381(8) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C57 1.532(9) . ?
C55 C56 1.538(10) . ?
C55 C58 1.544(8) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C62 1.519(8) . ?
C59 C60 1.530(9) . ?
C59 C61 1.553(8) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 C66 1.523(8) . ?
C63 C65 1.524(8) . ?
C63 C64 1.530(8) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
