#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313131.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_4313131
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Wei Fu'
_publ_section_title
;
 Germanium-Rich Pentaruthenium Carbonyl Clusters Including
 Ru5(CO)11(μ-GePh2)4(μ5-C) and Its Reactions with Hydrogen
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1328
_journal_page_last               1333
_journal_paper_doi               10.1021/ic020655w
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C60.5 H40 Cl Ge4 O11 Ru5'
_chemical_formula_weight         1774.08
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.3430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.8685(5)
_cell_length_b                   19.8239(7)
_cell_length_c                   39.4707(14)
_cell_measurement_reflns_used    6015
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.81
_cell_measurement_theta_min      2.17
_cell_volume                     12340.5(7)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0631
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            46517
_diffrn_reflns_theta_full        24.11
_diffrn_reflns_theta_max         24.11
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    3.207
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             6848
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.494
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     717
_refine_ls_number_reflns         9830
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0448P)²+128.1962P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1181
_refine_ls_wR_factor_ref         0.1263
_reflns_number_gt                7543
_reflns_number_total             9830
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020655w_2.cif
_cod_data_source_block           bcru5ges
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C60.50 H40 Cl Ge4 O11 Ru5'
_cod_database_code               4313131
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ru1 Ru 0.16994(5) 0.23183(4) 0.078371(19) 0.03835(19) Uani 1 1 d . A .
Ru2 Ru 0.26332(4) 0.17448(3) 0.13687(2) 0.03720(19) Uani 1 1 d . A .
Ru3 Ru 0.28666(4) 0.31300(4) 0.11910(2) 0.0386(2) Uani 1 1 d . A .
Ru4 Ru 0.10823(4) 0.33717(3) 0.119705(19) 0.03343(18) Uani 1 1 d . A .
Ru5 Ru 0.08499(4) 0.19594(3) 0.135122(18) 0.03244(18) Uani 1 1 d . A .
Ge1 Ge 0.15335(6) 0.08366(4) 0.13855(2) 0.0382(2) Uani 1 1 d . . .
Ge2 Ge 0.39955(6) 0.22625(5) 0.12294(3) 0.0409(2) Uani 1 1 d . . .
Ge3 Ge 0.21328(6) 0.42365(4) 0.10672(3) 0.0380(2) Uani 1 1 d . . .
Ge4 Ge -0.02776(6) 0.28424(5) 0.13133(3) 0.0384(2) Uani 1 1 d . . .
O11 O 0.2415(5) 0.3126(4) 0.0225(2) 0.067(2) Uani 1 1 d . A .
O12 O 0.0034(5) 0.1915(5) 0.0370(2) 0.091(3) Uani 1 1 d . A .
O13 O 0.2569(5) 0.1093(4) 0.0513(2) 0.075(2) Uani 1 1 d . A .
O21 O 0.3659(5) 0.0480(4) 0.1262(3) 0.106(4) Uani 1 1 d . A .
O22 O 0.2973(6) 0.1907(5) 0.2133(2) 0.088(3) Uani 1 1 d . A .
O31 O 0.4079(6) 0.3817(5) 0.0757(3) 0.119(4) Uani 1 1 d . A .
O32 O 0.3581(6) 0.3584(5) 0.1896(2) 0.098(3) Uani 1 1 d . A .
O41 O -0.0128(5) 0.4301(5) 0.0760(3) 0.105(3) Uani 1 1 d . A .
O42 O 0.1124(6) 0.4036(4) 0.1893(2) 0.087(3) Uani 1 1 d . A .
O51 O -0.0630(5) 0.1097(4) 0.1035(3) 0.090(3) Uani 1 1 d . A .
O52 O 0.0706(7) 0.1755(5) 0.2102(2) 0.106(4) Uani 1 1 d . A .
C1 C 0.1869(5) 0.2561(4) 0.1297(2) 0.035(2) Uani 1 1 d . . .
C11 C 0.2167(6) 0.2863(5) 0.0450(3) 0.049(2) Uani 1 1 d . . .
C12 C 0.0629(7) 0.2082(6) 0.0533(3) 0.059(3) Uani 1 1 d . . .
C13 C 0.2270(7) 0.1531(5) 0.0639(3) 0.057(3) Uani 1 1 d . . .
C21 C 0.3281(7) 0.0948(5) 0.1302(3) 0.060(3) Uani 1 1 d . . .
C22 C 0.2885(6) 0.1811(6) 0.1847(3) 0.056(3) Uani 1 1 d . . .
C31 C 0.3641(7) 0.3554(5) 0.0919(3) 0.069(4) Uani 1 1 d . . .
C32 C 0.3317(7) 0.3440(5) 0.1624(3) 0.062(3) Uani 1 1 d . . .
C41 C 0.0330(7) 0.3953(6) 0.0921(3) 0.066(3) Uani 1 1 d . . .
C42 C 0.1085(7) 0.3791(5) 0.1626(3) 0.059(3) Uani 1 1 d . . .
C51 C -0.0071(7) 0.1428(5) 0.1153(3) 0.062(3) Uani 1 1 d . . .
C52 C 0.0729(7) 0.1848(5) 0.1820(3) 0.060(3) Uani 1 1 d . . .
C61 C 0.1387(6) 0.0164(4) 0.1025(2) 0.042(2) Uani 1 1 d D . .
C62 C 0.0915(7) 0.0242(5) 0.0720(3) 0.068(3) Uani 1 1 d D . .
H62 H 0.0645 0.0653 0.0670 0.082 Uiso 1 1 calc R . .
C63 C 0.0821(8) -0.0272(6) 0.0478(3) 0.083(4) Uani 1 1 d D . .
H63 H 0.0502 -0.0199 0.0269 0.100 Uiso 1 1 calc R . .
C64 C 0.1186(8) -0.0864(5) 0.0546(3) 0.079(4) Uani 1 1 d D . .
H64 H 0.1108 -0.1210 0.0387 0.095 Uiso 1 1 calc R . .
C65 C 0.1678(9) -0.0973(5) 0.0849(3) 0.085(4) Uani 1 1 d D . .
H65 H 0.1950 -0.1384 0.0894 0.102 Uiso 1 1 calc R . .
C66 C 0.1762(7) -0.0455(5) 0.1090(3) 0.066(3) Uani 1 1 d D . .
H66 H 0.2080 -0.0530 0.1299 0.080 Uiso 1 1 calc R . .
C71 C 0.1426(6) 0.0299(5) 0.1791(3) 0.046(2) Uani 1 1 d . . .
C72 C 0.0793(7) -0.0185(6) 0.1773(3) 0.071(3) Uani 1 1 d . . .
H72 H 0.0460 -0.0250 0.1566 0.086 Uiso 1 1 calc R . .
C73 C 0.0639(9) -0.0570(8) 0.2044(4) 0.098(5) Uani 1 1 d . . .
H73 H 0.0211 -0.0893 0.2023 0.118 Uiso 1 1 calc R . .
C74 C 0.1129(10) -0.0471(8) 0.2351(4) 0.093(5) Uani 1 1 d . . .
H74 H 0.1024 -0.0727 0.2540 0.112 Uiso 1 1 calc R . .
C75 C 0.1743(10) -0.0020(7) 0.2382(3) 0.082(4) Uani 1 1 d . . .
H75 H 0.2067 0.0039 0.2591 0.099 Uiso 1 1 calc R . .
C76 C 0.1910(8) 0.0374(6) 0.2098(3) 0.069(3) Uani 1 1 d . . .
H76 H 0.2350 0.0687 0.2121 0.083 Uiso 1 1 calc R . .
C81 C 0.4502(5) 0.1912(5) 0.0834(3) 0.046(2) Uani 1 1 d . . .
C82 C 0.4293(7) 0.2121(6) 0.0505(3) 0.064(3) Uani 1 1 d . . .
H82 H 0.3897 0.2464 0.0459 0.077 Uiso 1 1 calc R . .
C83 C 0.4665(8) 0.1830(7) 0.0236(3) 0.077(4) Uani 1 1 d . . .
H83 H 0.4520 0.1983 0.0014 0.092 Uiso 1 1 calc R . .
C84 C 0.5229(7) 0.1331(6) 0.0296(3) 0.070(3) Uani 1 1 d . . .
H84 H 0.5466 0.1130 0.0116 0.084 Uiso 1 1 calc R . .
C85 C 0.5455(7) 0.1116(5) 0.0621(3) 0.061(3) Uani 1 1 d . . .
H85 H 0.5853 0.0772 0.0662 0.073 Uiso 1 1 calc R . .
C86 C 0.5097(6) 0.1405(5) 0.0889(3) 0.057(3) Uani 1 1 d . . .
H86 H 0.5259 0.1255 0.1110 0.068 Uiso 1 1 calc R . .
C91 C 0.4964(5) 0.2389(5) 0.1571(3) 0.044(2) Uani 1 1 d . . .
C92 C 0.5681(7) 0.2706(6) 0.1471(3) 0.068(3) Uani 1 1 d . . .
H92 H 0.5692 0.2825 0.1244 0.081 Uiso 1 1 calc R . .
C93 C 0.6374(7) 0.2846(7) 0.1703(4) 0.081(4) Uani 1 1 d . . .
H93 H 0.6840 0.3069 0.1632 0.097 Uiso 1 1 calc R . .
C94 C 0.6377(7) 0.2665(6) 0.2024(3) 0.072(3) Uani 1 1 d . . .
H94 H 0.6846 0.2763 0.2179 0.087 Uiso 1 1 calc R . .
C95 C 0.5707(8) 0.2338(8) 0.2132(3) 0.090(5) Uani 1 1 d . . .
H95 H 0.5714 0.2197 0.2357 0.108 Uiso 1 1 calc R . .
C96 C 0.5010(7) 0.2220(8) 0.1896(3) 0.082(4) Uani 1 1 d . . .
H96 H 0.4543 0.2008 0.1971 0.099 Uiso 1 1 calc R . .
C101 C 0.2106(6) 0.4690(4) 0.0626(2) 0.042(2) Uani 1 1 d . . .
C102 C 0.1582(7) 0.4497(5) 0.0339(3) 0.052(3) Uani 1 1 d . . .
H102 H 0.1221 0.4130 0.0352 0.063 Uiso 1 1 calc R . .
C103 C 0.1584(8) 0.4837(6) 0.0035(3) 0.062(3) Uani 1 1 d . . .
H103 H 0.1215 0.4713 -0.0155 0.075 Uiso 1 1 calc R . .
C104 C 0.2141(8) 0.5362(6) 0.0016(3) 0.072(3) Uani 1 1 d . . .
H104 H 0.2164 0.5582 -0.0191 0.086 Uiso 1 1 calc R . .
C105 C 0.2654(8) 0.5565(6) 0.0291(3) 0.074(4) Uani 1 1 d . . .
H105 H 0.3012 0.5933 0.0274 0.089 Uiso 1 1 calc R . .
C106 C 0.2657(7) 0.5235(5) 0.0599(3) 0.058(3) Uani 1 1 d . . .
H106 H 0.3022 0.5373 0.0787 0.070 Uiso 1 1 calc R . .
C111 C 0.2421(6) 0.4964(4) 0.1393(2) 0.044(2) Uani 1 1 d . . .
C112 C 0.1784(8) 0.5396(5) 0.1475(3) 0.068(3) Uani 1 1 d . . .
H112 H 0.1224 0.5309 0.1390 0.082 Uiso 1 1 calc R . .
C113 C 0.1966(10) 0.5951(6) 0.1681(3) 0.082(4) Uani 1 1 d . . .
H113 H 0.1535 0.6249 0.1721 0.098 Uiso 1 1 calc R . .
C114 C 0.2746(11) 0.6066(6) 0.1823(3) 0.084(4) Uani 1 1 d . . .
H114 H 0.2855 0.6432 0.1968 0.100 Uiso 1 1 calc R . .
C115 C 0.3392(9) 0.5649(6) 0.1756(3) 0.080(4) Uani 1 1 d . . .
H115 H 0.3942 0.5734 0.1854 0.096 Uiso 1 1 calc R . .
C116 C 0.3225(8) 0.5104(6) 0.1544(3) 0.070(3) Uani 1 1 d . . .
H116 H 0.3669 0.4821 0.1502 0.084 Uiso 1 1 calc R . .
C121 C -0.1267(6) 0.2713(5) 0.0980(3) 0.044(2) Uani 1 1 d . A .
C122 C -0.1355(7) 0.2906(6) 0.0643(3) 0.063(3) Uani 1 1 d . . .
H122 H -0.0914 0.3142 0.0561 0.075 Uiso 1 1 calc R A .
C123 C -0.2065(9) 0.2767(7) 0.0423(3) 0.082(4) Uani 1 1 d . A .
H123 H -0.2110 0.2916 0.0199 0.098 Uiso 1 1 calc R . .
C124 C -0.2709(8) 0.2403(7) 0.0542(4) 0.082(4) Uani 1 1 d . . .
H124 H -0.3196 0.2304 0.0397 0.099 Uiso 1 1 calc R A .
C125 C -0.2634(7) 0.2189(7) 0.0869(4) 0.072(4) Uani 1 1 d . A .
H125 H -0.3059 0.1925 0.0945 0.087 Uiso 1 1 calc R . .
C126 C -0.1943(6) 0.2357(5) 0.1088(3) 0.058(3) Uani 1 1 d . . .
H126 H -0.1922 0.2229 0.1315 0.069 Uiso 1 1 calc R A .
C131 C -0.0799(6) 0.3164(4) 0.1713(2) 0.045(2) Uiso 0.50 1 d PD A 1
C132 C -0.1119(14) 0.3797(7) 0.1698(4) 0.058(7) Uiso 0.50 1 d PD A 1
H132 H -0.1050 0.4064 0.1509 0.070 Uiso 0.50 1 calc PR A 1
C133 C -0.1551(16) 0.4061(8) 0.1958(4) 0.077(9) Uiso 0.50 1 d PD A 1
H133 H -0.1814 0.4480 0.1933 0.092 Uiso 0.50 1 calc PR A 1
C134 C -0.1580(8) 0.3705(6) 0.2240(3) 0.084(4) Uiso 0.50 1 d PD A 1
H134 H -0.1736 0.3913 0.2435 0.101 Uiso 0.50 1 calc PR A 1
C135 C -0.1382(14) 0.3029(7) 0.2247(4) 0.067(6) Uiso 0.50 1 d PD A 1
H135 H -0.1511 0.2757 0.2426 0.081 Uiso 0.50 1 calc PR A 1
C136 C -0.0981(12) 0.2762(6) 0.1980(4) 0.050(5) Uiso 0.50 1 d PD A 1
H136 H -0.0835 0.2307 0.1982 0.060 Uiso 0.50 1 calc PR A 1
C141 C -0.0799(6) 0.3164(4) 0.1713(2) 0.045(2) Uiso 0.50 1 d PD A 2
C142 C -0.1434(12) 0.3621(10) 0.1657(3) 0.062(7) Uiso 0.50 1 d PD A 2
H142 H -0.1620 0.3747 0.1434 0.074 Uiso 0.50 1 calc PR A 2
C143 C -0.1818(14) 0.3907(11) 0.1924(3) 0.077(9) Uiso 0.50 1 d PD A 2
H143 H -0.2235 0.4236 0.1881 0.092 Uiso 0.50 1 calc PR A 2
C144 C -0.1580(8) 0.3705(6) 0.2240(3) 0.084(4) Uiso 0.50 1 d PD A 2
H144 H -0.1915 0.3806 0.2412 0.101 Uiso 0.50 1 calc PR A 2
C145 C -0.0843(11) 0.3345(11) 0.2316(3) 0.082(8) Uiso 0.50 1 d PD A 2
H145 H -0.0613 0.3280 0.2541 0.099 Uiso 0.50 1 calc PR A 2
C146 C -0.0449(12) 0.3082(12) 0.2046(3) 0.091(8) Uiso 0.50 1 d PD A 2
H146 H 0.0058 0.2846 0.2091 0.109 Uiso 0.50 1 calc PR A 2
C150 C 0.5000 0.0146(14) 0.2500 0.246(19) Uiso 1 2 d SD . .
Cl1 Cl 0.4666(12) 0.0404(10) 0.2077(3) 0.288(9) Uiso 0.50 1 d PD . .
Cl2 Cl 0.5923(10) 0.0593(10) 0.2517(5) 0.277(9) Uiso 0.50 1 d PD . .
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
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
C11 Ru1 C13 91.3(4) . . ?
C11 Ru1 C12 99.9(4) . . ?
C13 Ru1 C12 93.9(5) . . ?
C11 Ru1 C1 121.5(4) . . ?
C13 Ru1 C1 117.7(4) . . ?
C12 Ru1 C1 124.8(4) . . ?
C11 Ru1 Ru3 77.9(3) . . ?
C13 Ru1 Ru3 109.4(3) . . ?
C12 Ru1 Ru3 156.7(3) . . ?
C1 Ru1 Ru3 45.8(2) . . ?
C11 Ru1 Ru5 160.2(3) . . ?
C13 Ru1 Ru5 108.2(3) . . ?
C12 Ru1 Ru5 82.8(3) . . ?
C1 Ru1 Ru5 46.1(2) . . ?
Ru3 Ru1 Ru5 91.86(3) . . ?
C11 Ru1 Ru2 125.3(3) . . ?
C13 Ru1 Ru2 72.3(3) . . ?
C12 Ru1 Ru2 132.1(3) . . ?
C1 Ru1 Ru2 45.4(2) . . ?
Ru3 Ru1 Ru2 60.91(3) . . ?
Ru5 Ru1 Ru2 60.47(3) . . ?
C11 Ru1 Ru4 99.3(3) . . ?
C13 Ru1 Ru4 162.8(3) . . ?
C12 Ru1 Ru4 97.5(3) . . ?
C1 Ru1 Ru4 45.1(2) . . ?
Ru3 Ru1 Ru4 60.48(2) . . ?
Ru5 Ru1 Ru4 60.89(2) . . ?
Ru2 Ru1 Ru4 90.53(3) . . ?
C22 Ru2 C21 97.9(5) . . ?
C22 Ru2 C1 98.2(4) . . ?
C21 Ru2 C1 163.9(4) . . ?
C22 Ru2 Ge2 95.7(3) . . ?
C21 Ru2 Ge2 79.5(3) . . ?
C1 Ru2 Ge2 99.2(2) . . ?
C22 Ru2 Ge1 95.4(3) . . ?
C21 Ru2 Ge1 78.4(3) . . ?
C1 Ru2 Ge1 99.8(2) . . ?
Ge2 Ru2 Ge1 156.44(4) . . ?
C22 Ru2 Ru1 144.9(3) . . ?
C21 Ru2 Ru1 117.2(4) . . ?
C1 Ru2 Ru1 46.7(2) . . ?
Ge2 Ru2 Ru1 92.46(4) . . ?
Ge1 Ru2 Ru1 90.39(3) . . ?
C22 Ru2 Ru5 96.5(3) . . ?
C21 Ru2 Ru5 131.6(3) . . ?
C1 Ru2 Ru5 45.6(2) . . ?
Ge2 Ru2 Ru5 144.07(4) . . ?
Ge1 Ru2 Ru5 54.42(3) . . ?
Ru1 Ru2 Ru5 59.59(2) . . ?
C22 Ru2 Ru3 99.2(3) . . ?
C21 Ru2 Ru3 132.0(3) . . ?
C1 Ru2 Ru3 44.9(2) . . ?
Ge2 Ru2 Ru3 54.34(3) . . ?
Ge1 Ru2 Ru3 143.23(4) . . ?
Ru1 Ru2 Ru3 59.19(3) . . ?
Ru5 Ru2 Ru3 90.33(3) . . ?
C32 Ru3 C31 99.4(5) . . ?
C32 Ru3 C1 102.9(4) . . ?
C31 Ru3 C1 157.8(5) . . ?
C32 Ru3 Ge2 88.4(3) . . ?
C31 Ru3 Ge2 80.5(3) . . ?
C1 Ru3 Ge2 100.2(2) . . ?
C32 Ru3 Ge3 90.7(3) . . ?
C31 Ru3 Ge3 79.6(3) . . ?
C1 Ru3 Ge3 99.8(2) . . ?
Ge2 Ru3 Ge3 159.61(4) . . ?
C32 Ru3 Ru1 149.8(3) . . ?
C31 Ru3 Ru1 110.7(4) . . ?
C1 Ru3 Ru1 47.1(2) . . ?
Ge2 Ru3 Ru1 93.66(4) . . ?
Ge3 Ru3 Ru1 97.27(4) . . ?
C32 Ru3 Ru2 97.9(3) . . ?
C31 Ru3 Ru2 131.8(3) . . ?
C1 Ru3 Ru2 44.9(2) . . ?
Ge2 Ru3 Ru2 55.40(3) . . ?
Ge3 Ru3 Ru2 144.68(4) . . ?
Ru1 Ru3 Ru2 59.90(3) . . ?
C32 Ru3 Ru4 102.3(3) . . ?
C31 Ru3 Ru4 128.7(3) . . ?
C1 Ru3 Ru4 45.4(2) . . ?
Ge2 Ru3 Ru4 145.29(4) . . ?
Ge3 Ru3 Ru4 54.47(3) . . ?
Ru1 Ru3 Ru4 60.93(3) . . ?
Ru2 Ru3 Ru4 90.21(3) . . ?
C42 Ru4 C41 100.7(5) . . ?
C42 Ru4 C1 103.4(4) . . ?
C41 Ru4 C1 155.9(5) . . ?
C42 Ru4 Ge3 86.9(3) . . ?
C41 Ru4 Ge3 81.8(3) . . ?
C1 Ru4 Ge3 99.9(2) . . ?
C42 Ru4 Ge4 86.3(3) . . ?
C41 Ru4 Ge4 81.9(3) . . ?
C1 Ru4 Ge4 99.0(2) . . ?
Ge3 Ru4 Ge4 160.90(4) . . ?
C42 Ru4 Ru3 100.1(3) . . ?
C41 Ru4 Ru3 130.5(3) . . ?
C1 Ru4 Ru3 44.8(2) . . ?
Ge3 Ru4 Ru3 55.19(3) . . ?
Ge4 Ru4 Ru3 143.77(4) . . ?
C42 Ru4 Ru1 149.2(4) . . ?
C41 Ru4 Ru1 110.1(4) . . ?
C1 Ru4 Ru1 45.8(2) . . ?
Ge3 Ru4 Ru1 96.05(3) . . ?
Ge4 Ru4 Ru1 98.88(3) . . ?
Ru3 Ru4 Ru1 58.59(2) . . ?
C42 Ru4 Ru5 103.0(3) . . ?
C41 Ru4 Ru5 128.1(3) . . ?
C1 Ru4 Ru5 44.8(2) . . ?
Ge3 Ru4 Ru5 144.51(4) . . ?
Ge4 Ru4 Ru5 54.58(3) . . ?
Ru3 Ru4 Ru5 89.37(3) . . ?
Ru1 Ru4 Ru5 58.58(2) . . ?
C52 Ru5 C51 100.5(5) . . ?
C52 Ru5 C1 109.8(4) . . ?
C51 Ru5 C1 149.7(4) . . ?
C52 Ru5 Ge1 86.2(3) . . ?
C51 Ru5 Ge1 80.6(3) . . ?
C1 Ru5 Ge1 100.6(2) . . ?
C52 Ru5 Ge4 89.5(3) . . ?
C51 Ru5 Ge4 81.4(3) . . ?
C1 Ru5 Ge4 98.9(2) . . ?
Ge1 Ru5 Ge4 160.34(4) . . ?
C52 Ru5 Ru1 155.6(4) . . ?
C51 Ru5 Ru1 103.0(4) . . ?
C1 Ru5 Ru1 46.9(2) . . ?
Ge1 Ru5 Ru1 91.44(3) . . ?
Ge4 Ru5 Ru1 100.21(4) . . ?
C52 Ru5 Ru2 99.6(3) . . ?
C51 Ru5 Ru2 130.0(3) . . ?
C1 Ru5 Ru2 45.1(2) . . ?
Ge1 Ru5 Ru2 55.73(3) . . ?
Ge4 Ru5 Ru2 143.91(4) . . ?
Ru1 Ru5 Ru2 59.94(3) . . ?
C52 Ru5 Ru4 110.3(3) . . ?
C51 Ru5 Ru4 124.0(3) . . ?
C1 Ru5 Ru4 44.9(2) . . ?
Ge1 Ru5 Ru4 144.68(4) . . ?
Ge4 Ru5 Ru4 54.32(3) . . ?
Ru1 Ru5 Ru4 60.53(2) . . ?
Ru2 Ru5 Ru4 90.02(3) . . ?
C71 Ge1 C61 102.3(4) . . ?
C71 Ge1 Ru5 117.4(3) . . ?
C61 Ge1 Ru5 124.1(3) . . ?
C71 Ge1 Ru2 122.6(3) . . ?
C61 Ge1 Ru2 119.9(3) . . ?
Ru5 Ge1 Ru2 69.85(3) . . ?
C91 Ge2 C81 103.6(4) . . ?
C91 Ge2 Ru3 117.6(3) . . ?
C81 Ge2 Ru3 123.7(3) . . ?
C91 Ge2 Ru2 122.3(3) . . ?
C81 Ge2 Ru2 117.9(3) . . ?
Ru3 Ge2 Ru2 70.26(3) . . ?
C111 Ge3 C101 103.1(4) . . ?
C111 Ge3 Ru4 119.2(3) . . ?
C101 Ge3 Ru4 123.5(3) . . ?
C111 Ge3 Ru3 116.6(3) . . ?
C101 Ge3 Ru3 122.7(3) . . ?
Ru4 Ge3 Ru3 70.34(3) . . ?
C121 Ge4 C131 101.8(4) . . ?
C121 Ge4 Ru4 125.5(3) . . ?
C131 Ge4 Ru4 117.5(3) . . ?
C121 Ge4 Ru5 117.8(3) . . ?
C131 Ge4 Ru5 122.8(3) . . ?
Ru4 Ge4 Ru5 71.10(3) . . ?
Ru2 C1 Ru3 90.2(3) . . ?
Ru2 C1 Ru5 89.3(3) . . ?
Ru3 C1 Ru5 174.1(5) . . ?
Ru2 C1 Ru4 177.0(5) . . ?
Ru3 C1 Ru4 89.9(3) . . ?
Ru5 C1 Ru4 90.3(3) . . ?
Ru2 C1 Ru1 87.9(3) . . ?
Ru3 C1 Ru1 87.1(3) . . ?
Ru5 C1 Ru1 87.0(3) . . ?
Ru4 C1 Ru1 89.1(3) . . ?
O11 C11 Ru1 171.8(9) . . ?
O12 C12 Ru1 174.8(11) . . ?
O13 C13 Ru1 171.2(10) . . ?
O21 C21 Ru2 179.8(12) . . ?
O22 C22 Ru2 172.5(11) . . ?
O31 C31 Ru3 178.0(10) . . ?
O32 C32 Ru3 175.1(11) . . ?
O41 C41 Ru4 179.0(11) . . ?
O42 C42 Ru4 176.9(11) . . ?
O51 C51 Ru5 179.0(12) . . ?
O52 C52 Ru5 175.3(10) . . ?
C62 C61 C66 117.0(8) . . ?
C62 C61 Ge1 125.5(6) . . ?
C66 C61 Ge1 117.4(7) . . ?
C61 C62 C63 122.1(9) . . ?
C64 C63 C62 119.8(10) . . ?
C63 C64 C65 120.9(10) . . ?
C64 C65 C66 118.6(10) . . ?
C61 C66 C65 121.6(9) . . ?
C76 C71 C72 117.0(10) . . ?
C76 C71 Ge1 125.2(8) . . ?
C72 C71 Ge1 117.7(8) . . ?
C73 C72 C71 122.8(13) . . ?
C72 C73 C74 118.7(14) . . ?
C75 C74 C73 120.9(13) . . ?
C74 C75 C76 120.3(13) . . ?
C71 C76 C75 120.3(12) . . ?
C82 C81 C86 117.2(10) . . ?
C82 C81 Ge2 124.8(7) . . ?
C86 C81 Ge2 117.9(8) . . ?
C81 C82 C83 121.2(10) . . ?
C84 C83 C82 120.0(11) . . ?
C83 C84 C85 120.2(11) . . ?
C84 C85 C86 120.2(10) . . ?
C85 C86 C81 121.1(10) . . ?
C96 C91 C92 115.3(10) . . ?
C96 C91 Ge2 126.6(8) . . ?
C92 C91 Ge2 118.1(8) . . ?
C93 C92 C91 121.5(11) . . ?
C94 C93 C92 120.0(12) . . ?
C93 C94 C95 120.9(12) . . ?
C94 C95 C96 117.8(12) . . ?
C91 C96 C95 124.5(11) . . ?
C102 C101 C106 118.3(9) . . ?
C102 C101 Ge3 123.6(7) . . ?
C106 C101 Ge3 118.1(8) . . ?
C103 C102 C101 121.2(10) . . ?
C104 C103 C102 118.8(11) . . ?
C105 C104 C103 121.3(11) . . ?
C104 C105 C106 120.8(11) . . ?
C105 C106 C101 119.5(11) . . ?
C116 C111 C112 115.9(10) . . ?
C116 C111 Ge3 125.0(8) . . ?
C112 C111 Ge3 119.0(8) . . ?
C113 C112 C111 121.2(12) . . ?
C114 C113 C112 120.8(13) . . ?
C113 C114 C115 120.3(12) . . ?
C114 C115 C116 119.6(13) . . ?
C115 C116 C111 122.0(12) . . ?
C122 C121 C126 115.9(10) . . ?
C122 C121 Ge4 127.2(8) . . ?
C126 C121 Ge4 116.8(8) . . ?
C123 C122 C121 122.9(12) . . ?
C122 C123 C124 118.7(13) . . ?
C125 C124 C123 119.9(12) . . ?
C124 C125 C126 120.7(12) . . ?
C125 C126 C121 121.7(11) . . ?
C132 C131 C136 117.4(8) . . ?
C132 C131 Ge4 117.1(7) . . ?
C136 C131 Ge4 124.6(7) . . ?
C131 C132 C133 121.9(9) . . ?
C134 C133 C132 118.9(10) . . ?
C133 C134 C135 120.6(11) . . ?
C134 C135 C136 118.4(10) . . ?
C131 C136 C135 120.8(10) . . ?
Cl2 C150 Cl2 117(2) 2_655 . ?
Cl2 C150 Cl1 69.3(10) 2_655 . ?
Cl2 C150 Cl1 93.0(9) . . ?
Cl2 C150 Cl1 93.0(9) 2_655 2_655 ?
Cl2 C150 Cl1 69.3(10) . 2_655 ?
Cl1 C150 Cl1 146(2) . 2_655 ?
C150 Cl1 Cl2 53.8(6) . 2_655 ?
C150 Cl2 Cl1 56.9(6) . 2_655 ?
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
Ru1 C11 1.915(11) . ?
Ru1 C13 1.922(11) . ?
Ru1 C12 1.927(12) . ?
Ru1 C1 2.069(8) . ?
Ru1 Ru3 2.8190(11) . ?
Ru1 Ru5 2.8299(10) . ?
Ru1 Ru2 2.8398(10) . ?
Ru1 Ru4 2.8870(10) . ?
Ru2 C22 1.892(12) . ?
Ru2 C21 1.918(11) . ?
Ru2 C1 2.024(8) . ?
Ru2 Ge2 2.5083(12) . ?
Ru2 Ge1 2.5133(12) . ?
Ru2 Ru5 2.8550(10) . ?
Ru2 Ru3 2.8682(10) . ?
Ru3 C32 1.881(13) . ?
Ru3 C31 1.914(11) . ?
Ru3 C1 2.024(8) . ?
Ru3 Ge2 2.4758(12) . ?
Ru3 Ge3 2.5062(11) . ?
Ru3 Ru4 2.8745(10) . ?
Ru4 C42 1.887(12) . ?
Ru4 C41 1.910(12) . ?
Ru4 C1 2.046(8) . ?
Ru4 Ge3 2.4839(11) . ?
Ru4 Ge4 2.4874(11) . ?
Ru4 Ru5 2.8972(9) . ?
Ru5 C52 1.895(12) . ?
Ru5 C51 1.899(12) . ?
Ru5 C1 2.040(8) . ?
Ru5 Ge1 2.4732(11) . ?
Ru5 Ge4 2.4957(11) . ?
Ge1 C71 1.946(9) . ?
Ge1 C61 1.947(8) . ?
Ge2 C91 1.944(9) . ?
Ge2 C81 1.959(10) . ?
Ge3 C111 1.953(9) . ?
Ge3 C101 1.955(9) . ?
Ge4 C121 1.950(9) . ?
Ge4 C131 1.965(8) . ?
O11 C11 1.136(11) . ?
O12 C12 1.132(12) . ?
O13 C13 1.131(11) . ?
O21 C21 1.126(12) . ?
O22 C22 1.135(12) . ?
O31 C31 1.123(12) . ?
O32 C32 1.144(13) . ?
O41 C41 1.143(12) . ?
O42 C42 1.154(12) . ?
O51 C51 1.159(12) . ?
O52 C52 1.133(12) . ?
C61 C62 1.354(10) . ?
C61 C66 1.376(10) . ?
C62 C63 1.394(12) . ?
C63 C64 1.323(12) . ?
C64 C65 1.371(13) . ?
C65 C66 1.393(12) . ?
C71 C76 1.370(14) . ?
C71 C72 1.386(14) . ?
C72 C73 1.358(16) . ?
C73 C74 1.381(19) . ?
C74 C75 1.318(18) . ?
C75 C76 1.414(16) . ?
C81 C82 1.371(14) . ?
C81 C86 1.380(13) . ?
C82 C83 1.395(15) . ?
C83 C84 1.338(15) . ?
C84 C85 1.360(15) . ?
C85 C86 1.379(14) . ?
C91 C96 1.320(14) . ?
C91 C92 1.394(14) . ?
C92 C93 1.378(15) . ?
C93 C94 1.319(17) . ?
C94 C95 1.353(16) . ?
C95 C96 1.384(15) . ?
C101 C102 1.383(13) . ?
C101 C106 1.401(13) . ?
C102 C103 1.379(14) . ?
C103 C104 1.373(16) . ?
C104 C105 1.345(16) . ?
C105 C106 1.379(15) . ?
C111 C116 1.375(14) . ?
C111 C112 1.391(14) . ?
C112 C113 1.380(15) . ?
C113 C114 1.319(18) . ?
C114 C115 1.363(18) . ?
C115 C116 1.375(16) . ?
C121 C122 1.376(14) . ?
C121 C126 1.391(13) . ?
C122 C123 1.371(15) . ?
C123 C124 1.375(18) . ?
C124 C125 1.351(18) . ?
C125 C126 1.360(15) . ?
C131 C132 1.353(10) . ?
C131 C136 1.377(11) . ?
C132 C133 1.396(12) . ?
C133 C134 1.324(12) . ?
C134 C135 1.376(13) . ?
C135 C136 1.397(13) . ?
C142 C143 1.396(12) . ?
C145 C146 1.397(13) . ?
C150 Cl2 1.708(10) 2_655 ?
C150 Cl2 1.708(10) . ?
C150 Cl1 1.772(10) . ?
C150 Cl1 1.772(10) 2_655 ?
Cl1 Cl2 1.98(2) 2_655 ?
Cl2 Cl1 1.98(2) 2_655 ?
