#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/74/4107475.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_4107475
loop_
_publ_author_name
'Tsuyoshi Matsumoto'
'Yukiko Nakaya'
'Naohisa Itakura'
'Kazuyuki Tatsumi'
_publ_section_title
;
 A Functional Hydrogenase Model: Reversible Interconversion of H2 and H2O
 by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2458
_journal_page_last               2459
_journal_paper_doi               10.1021/ja711325f
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         '2(C52 H49 Ge P Ru S), C7 H8 '
_chemical_formula_sum            'C111 H114 Ge2 P2 Ru2 S2'
_chemical_formula_weight         1921.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.2174(16)
_cell_angle_beta                 93.0858(17)
_cell_angle_gamma                114.7174(16)
_cell_formula_units_Z            1
_cell_length_a                   10.8312(18)
_cell_length_b                   11.2060(19)
_cell_length_c                   20.876(3)
_cell_measurement_reflns_used    6871
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2259.8(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            26370
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.118
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_description       block
_exptl_crystal_F_000             994.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.45
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     617
_refine_ls_number_reflns         10274
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0007Fo² + 2.0000σ(Fo²) + 0.5000]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                9337
_reflns_number_total             10274
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja711325f-file004_2.cif
_cod_data_source_block           '_Dmp(Dep)GeSRuPPh3'
_cod_original_formula_sum        'C111 H114 Ge2 P2 Ru2 S2 '
_cod_database_code               4107475
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru(1) Ru 0.67208(2) 0.61866(2) 0.300070(10) 0.01482(4) Uani 1.00 1 d .
Ge(1) Ge 0.46951(2) 0.52809(2) 0.219970(10) 0.01509(5) Uani 1.00 1 d .
S(1) S 0.43590(6) 0.46158(5) 0.31373(2) 0.02022(12) Uani 1.00 1 d .
P(1) P 0.64856(5) 0.79981(5) 0.35536(2) 0.01523(11) Uani 1.00 1 d .
C(1) C 0.5138(2) 0.4088(2) 0.15399(10) 0.0189(4) Uani 1.00 1 d .
C(2) C 0.6485(2) 0.4228(2) 0.16465(11) 0.0208(5) Uani 1.00 1 d .
C(3) C 0.6995(2) 0.3534(2) 0.12067(12) 0.0276(5) Uani 1.00 1 d .
C(4) C 0.6160(2) 0.2710(2) 0.06422(12) 0.0327(6) Uani 1.00 1 d .
C(5) C 0.4823(2) 0.2529(2) 0.05409(12) 0.0296(6) Uani 1.00 1 d .
C(6) C 0.4285(2) 0.3179(2) 0.09893(11) 0.0225(5) Uani 1.00 1 d .
C(7) C 0.7383(2) 0.5069(2) 0.22657(10) 0.0188(4) Uani 1.00 1 d .
C(8) C 0.8242(2) 0.6475(2) 0.23054(10) 0.0197(4) Uani 1.00 1 d .
C(9) C 0.8959(2) 0.7229(2) 0.29243(11) 0.0213(5) Uani 1.00 1 d .
C(10) C 0.8880(2) 0.6653(2) 0.34966(11) 0.0235(5) Uani 1.00 1 d .
C(11) C 0.8035(2) 0.5290(2) 0.34396(11) 0.0248(5) Uani 1.00 1 d .
C(12) C 0.7304(2) 0.4478(2) 0.28282(11) 0.0225(5) Uani 1.00 1 d .
C(13) C 0.8473(2) 0.7119(2) 0.17113(11) 0.0242(5) Uani 1.00 1 d .
C(14) C 0.9719(2) 0.7488(2) 0.41345(12) 0.0327(6) Uani 1.00 1 d .
C(15) C 0.6447(2) 0.3020(2) 0.27977(13) 0.0312(6) Uani 1.00 1 d .
C(16) C 0.2763(2) 0.2741(2) 0.08612(10) 0.0229(5) Uani 1.00 1 d .
C(17) C 0.1901(2) 0.1641(2) 0.11215(11) 0.0259(5) Uani 1.00 1 d .
C(18) C 0.0491(2) 0.1076(2) 0.09189(12) 0.0306(6) Uani 1.00 1 d .
C(19) C -0.0063(2) 0.1587(2) 0.04734(12) 0.0312(6) Uani 1.00 1 d .
C(20) C 0.0807(2) 0.2694(2) 0.02396(12) 0.0286(5) Uani 1.00 1 d .
C(21) C 0.2222(2) 0.3278(2) 0.04190(11) 0.0249(5) Uani 1.00 1 d .
C(22) C 0.2457(2) 0.1056(2) 0.16012(14) 0.0372(7) Uani 1.00 1 d .
C(23) C -0.1582(2) 0.0933(3) 0.02494(15) 0.0443(7) Uani 1.00 1 d .
C(24) C 0.3119(2) 0.4446(2) 0.01308(12) 0.0320(6) Uani 1.00 1 d .
C(25) C 0.3461(2) 0.5944(2) 0.18079(10) 0.0191(4) Uani 1.00 1 d .
C(26) C 0.2029(2) 0.5305(2) 0.18056(11) 0.0223(5) Uani 1.00 1 d .
C(27) C 0.1213(2) 0.5813(2) 0.15099(12) 0.0281(5) Uani 1.00 1 d .
C(28) C 0.1782(2) 0.6926(2) 0.12214(12) 0.0301(6) Uani 1.00 1 d .
C(29) C 0.3185(2) 0.7563(2) 0.12277(11) 0.0268(5) Uani 1.00 1 d .
C(30) C 0.4029(2) 0.7081(2) 0.15093(10) 0.0198(4) Uani 1.00 1 d .
C(31) C 0.1298(2) 0.4075(2) 0.20994(15) 0.0360(7) Uani 1.00 1 d .
C(32) C 0.0599(3) 0.4296(3) 0.26557(17) 0.0498(9) Uani 1.00 1 d .
C(33) C 0.5552(2) 0.7738(2) 0.14725(11) 0.0241(5) Uani 1.00 1 d .
C(34) C 0.6142(2) 0.9180(2) 0.13636(12) 0.0323(6) Uani 1.00 1 d .
C(35) C 0.5087(2) 0.8421(2) 0.33063(10) 0.0181(4) Uani 1.00 1 d .
C(36) C 0.3755(2) 0.7534(2) 0.33792(12) 0.0252(5) Uani 1.00 1 d .
C(37) C 0.2646(2) 0.7765(2) 0.31817(13) 0.0297(5) Uani 1.00 1 d .
C(38) C 0.2835(2) 0.8869(2) 0.29007(12) 0.0307(6) Uani 1.00 1 d .
C(39) C 0.4144(2) 0.9752(2) 0.28333(12) 0.0290(6) Uani 1.00 1 d .
C(40) C 0.5265(2) 0.9544(2) 0.30390(11) 0.0232(5) Uani 1.00 1 d .
C(41) C 0.8059(2) 0.9525(2) 0.35545(10) 0.0186(4) Uani 1.00 1 d .
C(42) C 0.8414(2) 0.9892(2) 0.29506(11) 0.0215(5) Uani 1.00 1 d .
C(43) C 0.9687(2) 1.0881(2) 0.28995(12) 0.0268(5) Uani 1.00 1 d .
C(44) C 1.0648(2) 1.1526(2) 0.34518(13) 0.0328(6) Uani 1.00 1 d .
C(45) C 1.0307(2) 1.1193(2) 0.40505(13) 0.0336(6) Uani 1.00 1 d .
C(46) C 0.9017(2) 1.0213(2) 0.41078(11) 0.0249(5) Uani 1.00 1 d .
C(47) C 0.6304(2) 0.7994(2) 0.44221(10) 0.0180(4) Uani 1.00 1 d .
C(48) C 0.6189(2) 0.9049(2) 0.48196(11) 0.0241(5) Uani 1.00 1 d .
C(49) C 0.6042(2) 0.9024(2) 0.54728(11) 0.0266(5) Uani 1.00 1 d .
C(50) C 0.5985(2) 0.7935(2) 0.57362(10) 0.0258(5) Uani 1.00 1 d .
C(51) C 0.6075(2) 0.6869(2) 0.53466(11) 0.0233(5) Uani 1.00 1 d .
C(52) C 0.6242(2) 0.6903(2) 0.46926(10) 0.0199(4) Uani 1.00 1 d .
C(53) C 0.8313(17) 0.3229(9) 0.4563(4) 0.105(4) Uani 0.50 1 d P
C(54) C 0.967(2) 0.3942(18) 0.4486(7) 0.107(7) Uani 0.50 1 d P
C(55) C 1.0437(12) 0.5093(14) 0.4900(5) 0.072(3) Uani 0.50 1 d P
C(56) C 0.9886(11) 0.5576(11) 0.5409(7) 0.043(2) Uani 0.50 1 d P
C(57) C 0.8474(6) 0.4816(6) 0.5444(3) 0.0374(15) Uani 0.50 1 d P
C(58) C 0.7783(5) 0.3727(6) 0.5050(3) 0.0928(19) Uani 1.00 1 d .
H(1) H 0.7922 0.3627 0.1295 0.032 Uiso 1.00 1 c R
H(2) H 0.6519 0.2266 0.0322 0.038 Uiso 1.00 1 c R
H(3) H 0.4239 0.1939 0.0151 0.033 Uiso 1.00 1 c R
H(4) H 0.9528 0.8178 0.2959 0.025 Uiso 1.00 1 c R
H(5) H 0.7945 0.4884 0.3825 0.033 Uiso 1.00 1 c R
H(6) H 0.9212 0.7005 0.1508 0.030 Uiso 1.00 1 c R
H(7) H 0.7642 0.6703 0.1404 0.030 Uiso 1.00 1 c R
H(8) H 0.8716 0.8064 0.1838 0.030 Uiso 1.00 1 c R
H(9) H 0.9987 0.8426 0.4124 0.039 Uiso 1.00 1 c R
H(10) H 0.9177 0.7238 0.4490 0.040 Uiso 1.00 1 c R
H(11) H 1.0532 0.7337 0.4200 0.039 Uiso 1.00 1 c R
H(12) H 0.5533 0.2774 0.2586 0.041 Uiso 1.00 1 c R
H(13) H 0.6393 0.2827 0.3236 0.041 Uiso 1.00 1 c R
H(14) H 0.6857 0.2512 0.2550 0.041 Uiso 1.00 1 c R
H(15) H -0.0114 0.0311 0.1093 0.034 Uiso 1.00 1 c R
H(16) H 0.0423 0.3076 -0.0058 0.033 Uiso 1.00 1 c R
H(17) H 0.1962 0.0980 0.1978 0.047 Uiso 1.00 1 c R
H(18) H 0.3421 0.1632 0.1738 0.047 Uiso 1.00 1 c R
H(19) H 0.2347 0.0178 0.1398 0.047 Uiso 1.00 1 c R
H(20) H -0.1903 -0.0029 0.0155 0.049 Uiso 1.00 1 c R
H(21) H -0.1762 0.1240 -0.0141 0.049 Uiso 1.00 1 c R
H(22) H -0.2058 0.1168 0.0590 0.049 Uiso 1.00 1 c R
H(23) H 0.2561 0.4818 -0.0068 0.035 Uiso 1.00 1 c R
H(24) H 0.3792 0.5123 0.0472 0.036 Uiso 1.00 1 c R
H(25) H 0.3583 0.4155 -0.0198 0.036 Uiso 1.00 1 c R
H(26) H 0.0227 0.5376 0.1507 0.033 Uiso 1.00 1 c R
H(27) H 0.1197 0.7259 0.1015 0.038 Uiso 1.00 1 c R
H(28) H 0.3583 0.8356 0.1033 0.034 Uiso 1.00 1 c R
H(29) H 0.1968 0.3775 0.2245 0.044 Uiso 1.00 1 c R
H(30) H 0.0622 0.3386 0.1764 0.045 Uiso 1.00 1 c R
H(31) H -0.0187 0.3471 0.2679 0.066 Uiso 1.00 1 c R
H(32) H 0.1226 0.4583 0.3055 0.066 Uiso 1.00 1 c R
H(33) H 0.0296 0.4980 0.2601 0.066 Uiso 1.00 1 c R
H(34) H 0.6018 0.7724 0.1880 0.028 Uiso 1.00 1 c R
H(35) H 0.5744 0.7211 0.1115 0.028 Uiso 1.00 1 c R
H(36) H 0.6099 0.9189 0.0899 0.038 Uiso 1.00 1 c R
H(37) H 0.7088 0.9648 0.1563 0.038 Uiso 1.00 1 c R
H(38) H 0.5613 0.9619 0.1559 0.038 Uiso 1.00 1 c R
H(39) H 0.3609 0.6752 0.3569 0.030 Uiso 1.00 1 c R
H(40) H 0.1729 0.7150 0.3240 0.034 Uiso 1.00 1 c R
H(41) H 0.2055 0.9017 0.2753 0.038 Uiso 1.00 1 c R
H(42) H 0.4283 1.0528 0.2640 0.038 Uiso 1.00 1 c R
H(43) H 0.6182 1.0185 0.2996 0.028 Uiso 1.00 1 c R
H(44) H 0.7755 0.9442 0.2562 0.025 Uiso 1.00 1 c R
H(45) H 0.9910 1.1126 0.2479 0.031 Uiso 1.00 1 c R
H(46) H 1.1550 1.2204 0.3416 0.035 Uiso 1.00 1 c R
H(47) H 1.0973 1.1648 0.4436 0.035 Uiso 1.00 1 c R
H(48) H 0.8784 1.0008 0.4534 0.027 Uiso 1.00 1 c R
H(49) H 0.6212 0.9805 0.4636 0.029 Uiso 1.00 1 c R
H(50) H 0.5979 0.9767 0.5747 0.032 Uiso 1.00 1 c R
H(51) H 0.5882 0.7920 0.6194 0.030 Uiso 1.00 1 c R
H(52) H 0.6021 0.6103 0.5530 0.027 Uiso 1.00 1 c R
H(53) H 0.6316 0.6162 0.4422 0.023 Uani 1.00 1 c R
H(54) H 0.7749 0.2388 0.4275 0.129 Uiso 0.50 1 c R
H(55) H 1.0071 0.3616 0.4137 0.170 Uiso 0.50 1 c R
H(56) H 1.1390 0.5597 0.4845 0.113 Uiso 0.50 1 c R
H(57) H 1.0439 0.6386 0.5721 0.053 Uiso 0.50 1 c R
H(58) H 0.8030 0.5133 0.5774 0.053 Uiso 0.50 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
S S 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ge Ge 0.155 1.800
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.259 0.836
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Ge(1) Ru(1) S(1) 52.850(12) yes . .
Ge(1) Ru(1) P(1) 99.368(16) yes . .
Ge(1) Ru(1) C(7) 81.54(5) yes . .
Ge(1) Ru(1) C(8) 97.25(5) yes . .
Ge(1) Ru(1) C(9) 132.73(6) yes . .
Ge(1) Ru(1) C(10) 160.64(6) yes . .
Ge(1) Ru(1) C(11) 133.70(5) yes . .
Ge(1) Ru(1) C(12) 98.70(5) yes . .
S(1) Ru(1) P(1) 92.381(19) yes . .
S(1) Ru(1) C(7) 105.38(5) yes . .
S(1) Ru(1) C(8) 140.63(4) yes . .
S(1) Ru(1) C(9) 167.15(7) yes . .
S(1) Ru(1) C(10) 133.68(6) yes . .
S(1) Ru(1) C(11) 102.88(5) yes . .
S(1) Ru(1) C(12) 90.03(5) yes . .
P(1) Ru(1) C(7) 157.71(5) yes . .
P(1) Ru(1) C(8) 120.19(6) yes . .
P(1) Ru(1) C(9) 97.40(6) yes . .
P(1) Ru(1) C(10) 98.47(6) yes . .
P(1) Ru(1) C(11) 122.68(5) yes . .
P(1) Ru(1) C(12) 158.99(5) yes . .
C(7) Ru(1) C(8) 38.38(7) yes . .
C(7) Ru(1) C(9) 67.38(7) yes . .
C(7) Ru(1) C(10) 79.10(8) yes . .
C(7) Ru(1) C(11) 66.95(8) yes . .
C(7) Ru(1) C(12) 37.35(8) yes . .
C(8) Ru(1) C(9) 37.30(7) yes . .
C(8) Ru(1) C(10) 67.06(8) yes . .
C(8) Ru(1) C(11) 78.87(9) yes . .
C(8) Ru(1) C(12) 67.70(9) yes . .
C(9) Ru(1) C(10) 36.47(8) yes . .
C(9) Ru(1) C(11) 64.76(8) yes . .
C(9) Ru(1) C(12) 77.87(8) yes . .
C(10) Ru(1) C(11) 35.36(8) yes . .
C(10) Ru(1) C(12) 65.49(8) yes . .
C(11) Ru(1) C(12) 36.82(7) yes . .
Ru(1) Ge(1) S(1) 64.922(15) yes . .
Ru(1) Ge(1) C(1) 101.24(6) yes . .
Ru(1) Ge(1) C(25) 136.95(5) yes . .
S(1) Ge(1) C(1) 114.00(7) yes . .
S(1) Ge(1) C(25) 119.74(6) yes . .
C(1) Ge(1) C(25) 112.23(9) yes . .
Ru(1) S(1) Ge(1) 62.228(14) yes . .
Ru(1) P(1) C(35) 122.08(6) yes . .
Ru(1) P(1) C(41) 109.11(8) yes . .
Ru(1) P(1) C(47) 115.38(8) yes . .
C(35) P(1) C(41) 104.57(10) yes . .
C(35) P(1) C(47) 99.98(10) yes . .
C(41) P(1) C(47) 103.78(8) yes . .
Ge(1) C(1) C(2) 114.08(13) yes . .
Ge(1) C(1) C(6) 128.02(19) yes . .
C(2) C(1) C(6) 117.9(2) yes . .
C(1) C(2) C(3) 121.57(18) yes . .
C(1) C(2) C(7) 119.7(2) yes . .
C(3) C(2) C(7) 118.6(2) yes . .
C(2) C(3) C(4) 119.4(2) yes . .
C(3) C(4) C(5) 119.6(2) yes . .
C(4) C(5) C(6) 121.4(2) yes . .
C(1) C(6) C(5) 119.8(2) yes . .
C(1) C(6) C(16) 124.6(2) yes . .
C(5) C(6) C(16) 115.33(17) yes . .
Ru(1) C(7) C(2) 122.73(18) yes . .
Ru(1) C(7) C(8) 71.78(13) yes . .
Ru(1) C(7) C(12) 73.70(14) yes . .
C(2) C(7) C(8) 121.1(2) yes . .
C(2) C(7) C(12) 118.66(17) yes . .
C(8) C(7) C(12) 120.13(16) yes . .
Ru(1) C(8) C(7) 69.84(12) yes . .
Ru(1) C(8) C(9) 72.41(12) yes . .
Ru(1) C(8) C(13) 132.73(19) yes . .
C(7) C(8) C(9) 117.7(2) yes . .
C(7) C(8) C(13) 122.12(16) yes . .
C(9) C(8) C(13) 120.05(18) yes . .
Ru(1) C(9) C(8) 70.29(11) yes . .
Ru(1) C(9) C(10) 74.97(12) yes . .
C(8) C(9) C(10) 122.94(19) yes . .
Ru(1) C(10) C(9) 68.56(13) yes . .
Ru(1) C(10) C(11) 70.78(14) yes . .
Ru(1) C(10) C(14) 133.8(2) yes . .
C(9) C(10) C(11) 117.76(18) yes . .
C(9) C(10) C(14) 120.7(2) yes . .
C(11) C(10) C(14) 121.5(2) yes . .
Ru(1) C(11) C(10) 73.85(17) yes . .
Ru(1) C(11) C(12) 70.21(16) yes . .
C(10) C(11) C(12) 121.7(2) yes . .
Ru(1) C(12) C(7) 68.95(15) yes . .
Ru(1) C(12) C(11) 72.97(16) yes . .
Ru(1) C(12) C(15) 129.60(19) yes . .
C(7) C(12) C(11) 119.71(19) yes . .
C(7) C(12) C(15) 121.24(18) yes . .
C(11) C(12) C(15) 119.0(2) yes . .
C(6) C(16) C(17) 117.7(2) yes . .
C(6) C(16) C(21) 120.9(2) yes . .
C(17) C(16) C(21) 120.7(2) yes . .
C(16) C(17) C(18) 118.6(2) yes . .
C(16) C(17) C(22) 121.6(2) yes . .
C(18) C(17) C(22) 119.7(2) yes . .
C(17) C(18) C(19) 121.4(2) yes . .
C(18) C(19) C(20) 118.6(2) yes . .
C(18) C(19) C(23) 120.2(2) yes . .
C(20) C(19) C(23) 121.1(2) yes . .
C(19) C(20) C(21) 122.0(2) yes . .
C(16) C(21) C(20) 118.6(2) yes . .
C(16) C(21) C(24) 121.8(2) yes . .
C(20) C(21) C(24) 119.6(2) yes . .
Ge(1) C(25) C(26) 121.99(17) yes . .
Ge(1) C(25) C(30) 118.92(16) yes . .
C(26) C(25) C(30) 119.1(2) yes . .
C(25) C(26) C(27) 119.0(2) yes . .
C(25) C(26) C(31) 124.1(2) yes . .
C(27) C(26) C(31) 116.9(2) yes . .
C(26) C(27) C(28) 121.3(2) yes . .
C(27) C(28) C(29) 119.9(2) yes . .
C(28) C(29) C(30) 120.6(2) yes . .
C(25) C(30) C(29) 120.1(2) yes . .
C(25) C(30) C(33) 120.1(2) yes . .
C(29) C(30) C(33) 119.8(2) yes . .
C(26) C(31) C(32) 113.9(2) yes . .
C(30) C(33) C(34) 116.1(2) yes . .
P(1) C(35) C(36) 117.32(19) yes . .
P(1) C(35) C(40) 124.26(16) yes . .
C(36) C(35) C(40) 118.4(2) yes . .
C(35) C(36) C(37) 120.5(2) yes . .
C(36) C(37) C(38) 120.5(2) yes . .
C(37) C(38) C(39) 119.3(2) yes . .
C(38) C(39) C(40) 120.8(2) yes . .
C(35) C(40) C(39) 120.5(2) yes . .
P(1) C(41) C(42) 117.93(13) yes . .
P(1) C(41) C(46) 123.20(16) yes . .
C(42) C(41) C(46) 118.09(17) yes . .
C(41) C(42) C(43) 121.22(19) yes . .
C(42) C(43) C(44) 120.0(2) yes . .
C(43) C(44) C(45) 119.5(2) yes . .
C(44) C(45) C(46) 120.8(2) yes . .
C(41) C(46) C(45) 120.3(2) yes . .
P(1) C(47) C(48) 121.39(19) yes . .
P(1) C(47) C(52) 119.73(17) yes . .
C(48) C(47) C(52) 118.9(2) yes . .
C(47) C(48) C(49) 120.6(2) yes . .
C(48) C(49) C(50) 120.0(2) yes . .
C(49) C(50) C(51) 120.2(2) yes . .
C(50) C(51) C(52) 119.8(2) yes . .
C(47) C(52) C(51) 120.5(2) yes . .
C(54) C(53) C(58) 118.7(10) yes . .
C(56) C(53) C(58) 107.5(7) yes 2_766 .
C(53) C(54) C(55) 119.4(17) yes . .
C(53) C(54) C(55) 80.5(13) yes . 2_766
C(53) C(54) C(56) 140(3) yes . 2_766
C(55) C(54) C(56) 59(2) yes 2_766 2_766
C(54) C(55) C(54) 141.1(15) yes . 2_766
C(54) C(55) C(55) 84.3(14) yes . 2_766
C(54) C(55) C(56) 121.2(13) yes . .
C(54) C(55) C(57) 87.3(13) yes . 2_766
C(54) C(55) C(58) 131.6(13) yes . 2_766
C(54) C(55) C(55) 56.8(11) yes 2_766 2_766
C(54) C(55) C(56) 154.0(17) yes 2_766 2_766
C(54) C(55) C(57) 131.6(10) yes 2_766 2_766
C(54) C(55) C(58) 87.3(9) yes 2_766 2_766
C(55) C(55) C(56) 97.3(15) yes 2_766 2_766
C(55) C(55) C(57) 171.6(13) yes 2_766 2_766
C(55) C(55) C(58) 144.1(12) yes 2_766 2_766
C(56) C(55) C(56) 134.3(15) yes . 2_766
C(56) C(55) C(57) 151.4(9) yes . 2_766
C(56) C(55) C(58) 107.1(7) yes . 2_766
C(56) C(55) C(57) 74.3(13) yes 2_766 2_766
C(56) C(55) C(58) 118.6(14) yes 2_766 2_766
C(53) C(56) C(55) 71.8(8) yes 2_766 .
C(53) C(56) C(55) 117.4(15) yes 2_766 2_766
C(53) C(56) C(57) 171.3(11) yes 2_766 .
C(54) C(56) C(55) 101(2) yes 2_766 .
C(54) C(56) C(55) 146(3) yes 2_766 2_766
C(54) C(56) C(57) 142(3) yes 2_766 .
C(55) C(56) C(55) 45.7(12) yes . 2_766
C(55) C(56) C(57) 116.3(9) yes . .
C(55) C(56) C(57) 70.6(11) yes 2_766 .
C(55) C(57) C(58) 85.8(6) yes 2_766 .
C(56) C(57) C(58) 120.9(8) yes . .
C(53) C(58) C(55) 73.5(7) yes . 2_766
C(53) C(58) C(57) 123.4(7) yes . .
C(55) C(58) C(57) 49.9(5) yes 2_766 .
C(2) C(3) H(1) 120.3 no . .
C(4) C(3) H(1) 120.3 no . .
C(3) C(4) H(2) 120.2 no . .
C(5) C(4) H(2) 120.2 no . .
C(4) C(5) H(3) 119.3 no . .
C(6) C(5) H(3) 119.3 no . .
Ru(1) C(9) H(4) 128.6 no . .
C(8) C(9) H(4) 118.5 no . .
C(10) C(9) H(4) 118.5 no . .
Ru(1) C(11) H(5) 129.4 no . .
C(10) C(11) H(5) 119.1 no . .
C(12) C(11) H(5) 119.1 no . .
C(8) C(13) H(6) 109.5 no . .
C(8) C(13) H(7) 109.5 no . .
C(8) C(13) H(8) 109.5 no . .
H(6) C(13) H(7) 109.5 no . .
H(6) C(13) H(8) 109.5 no . .
H(7) C(13) H(8) 109.5 no . .
C(10) C(14) H(9) 109.5 no . .
C(10) C(14) H(10) 109.5 no . .
C(10) C(14) H(11) 109.5 no . .
H(9) C(14) H(10) 109.5 no . .
H(9) C(14) H(11) 109.5 no . .
H(10) C(14) H(11) 109.5 no . .
C(12) C(15) H(12) 109.5 no . .
C(12) C(15) H(13) 109.5 no . .
C(12) C(15) H(14) 109.5 no . .
H(12) C(15) H(13) 109.5 no . .
H(12) C(15) H(14) 109.5 no . .
H(13) C(15) H(14) 109.5 no . .
C(17) C(18) H(15) 119.3 no . .
C(19) C(18) H(15) 119.3 no . .
C(19) C(20) H(16) 119.0 no . .
C(21) C(20) H(16) 119.0 no . .
C(17) C(22) H(17) 109.5 no . .
C(17) C(22) H(18) 109.5 no . .
C(17) C(22) H(19) 109.5 no . .
H(17) C(22) H(18) 109.5 no . .
H(17) C(22) H(19) 109.5 no . .
H(18) C(22) H(19) 109.5 no . .
C(19) C(23) H(20) 109.5 no . .
C(19) C(23) H(21) 109.5 no . .
C(19) C(23) H(22) 109.5 no . .
H(20) C(23) H(21) 109.5 no . .
H(20) C(23) H(22) 109.5 no . .
H(21) C(23) H(22) 109.5 no . .
C(21) C(24) H(23) 109.5 no . .
C(21) C(24) H(24) 109.5 no . .
C(21) C(24) H(25) 109.5 no . .
H(23) C(24) H(24) 109.5 no . .
H(23) C(24) H(25) 109.5 no . .
H(24) C(24) H(25) 109.5 no . .
C(26) C(27) H(26) 119.3 no . .
C(28) C(27) H(26) 119.4 no . .
C(27) C(28) H(27) 120.1 no . .
C(29) C(28) H(27) 120.1 no . .
C(28) C(29) H(28) 119.7 no . .
C(30) C(29) H(28) 119.7 no . .
C(26) C(31) H(29) 108.4 no . .
C(26) C(31) H(30) 108.4 no . .
C(32) C(31) H(29) 108.4 no . .
C(32) C(31) H(30) 108.4 no . .
H(29) C(31) H(30) 109.5 no . .
C(31) C(32) H(31) 109.5 no . .
C(31) C(32) H(32) 109.5 no . .
C(31) C(32) H(33) 109.5 no . .
H(31) C(32) H(32) 109.5 no . .
H(31) C(32) H(33) 109.5 no . .
H(32) C(32) H(33) 109.5 no . .
C(30) C(33) H(34) 107.8 no . .
C(30) C(33) H(35) 107.8 no . .
C(34) C(33) H(34) 107.8 no . .
C(34) C(33) H(35) 107.8 no . .
H(34) C(33) H(35) 109.5 no . .
C(33) C(34) H(36) 109.5 no . .
C(33) C(34) H(37) 109.5 no . .
C(33) C(34) H(38) 109.5 no . .
H(36) C(34) H(37) 109.5 no . .
H(36) C(34) H(38) 109.5 no . .
H(37) C(34) H(38) 109.5 no . .
C(35) C(36) H(39) 119.8 no . .
C(37) C(36) H(39) 119.8 no . .
C(36) C(37) H(40) 119.7 no . .
C(38) C(37) H(40) 119.7 no . .
C(37) C(38) H(41) 120.4 no . .
C(39) C(38) H(41) 120.4 no . .
C(38) C(39) H(42) 119.6 no . .
C(40) C(39) H(42) 119.6 no . .
C(35) C(40) H(43) 119.7 no . .
C(39) C(40) H(43) 119.7 no . .
C(41) C(42) H(44) 119.4 no . .
C(43) C(42) H(44) 119.4 no . .
C(42) C(43) H(45) 120.0 no . .
C(44) C(43) H(45) 120.0 no . .
C(43) C(44) H(46) 120.2 no . .
C(45) C(44) H(46) 120.2 no . .
C(44) C(45) H(47) 119.6 no . .
C(46) C(45) H(47) 119.6 no . .
C(41) C(46) H(48) 119.8 no . .
C(45) C(46) H(48) 119.8 no . .
C(47) C(48) H(49) 119.7 no . .
C(49) C(48) H(49) 119.7 no . .
C(48) C(49) H(50) 120.0 no . .
C(50) C(49) H(50) 120.0 no . .
C(49) C(50) H(51) 119.9 no . .
C(51) C(50) H(51) 119.9 no . .
C(50) C(51) H(52) 120.1 no . .
C(52) C(51) H(52) 120.1 no . .
C(47) C(52) H(53) 119.7 no . .
C(51) C(52) H(53) 119.7 no . .
C(54) C(53) H(54) 120.6 no . .
C(56) C(53) H(54) 131.9 no 2_766 .
C(58) C(53) H(54) 120.6 no . .
C(53) C(54) H(55) 120.3 no . .
C(53) C(54) H(57) 84.9 no . 2_766
C(55) C(54) H(55) 120.3 no . .
C(55) C(54) H(57) 154.6 no . 2_766
C(55) C(54) H(55) 159.2 no 2_766 .
C(55) C(54) H(57) 162.9 no 2_766 2_766
C(56) C(54) H(55) 100.0 no 2_766 .
C(56) C(54) H(57) 134.2 no 2_766 2_766
C(54) C(55) H(56) 119.4 no . .
C(54) C(55) H(56) 99.5 no 2_766 .
C(55) C(55) H(56) 156.3 no 2_766 .
C(56) C(55) H(56) 119.4 no . .
C(56) C(55) H(56) 106.3 no 2_766 .
C(53) C(56) H(55) 82.0 no 2_766 2_766
C(53) C(56) H(57) 50.1 no 2_766 .
C(54) C(56) H(55) 52.9 no 2_766 2_766
C(55) C(56) H(55) 153.8 no . 2_766
C(55) C(56) H(57) 121.9 no . .
C(55) C(56) H(55) 160.1 no 2_766 2_766
C(55) C(56) H(57) 167.6 no 2_766 .
C(57) C(56) H(55) 89.8 no . 2_766
C(57) C(56) H(57) 121.9 no . .
C(55) C(57) H(58) 154.6 no 2_766 .
C(56) C(57) H(56) 77.3 no . 2_766
C(56) C(57) H(58) 119.6 no . .
C(58) C(57) H(58) 119.6 no . .
H(56) C(57) H(58) 163.1 no 2_766 .
C(53) C(58) H(56) 87.0 no . 2_766
C(56) H(55) H(57) 53.9 no 2_766 2_766
C(55) H(56) C(57) 105.7 no . 2_766
C(55) H(56) C(58) 154.3 no . 2_766
C(57) H(56) C(58) 100.0 no 2_766 2_766
C(54) H(57) H(55) 116.3 no 2_766 2_766
C(56) H(57) H(55) 93.9 no . 2_766
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Ru(1) Ge(1) 2.4285(5) yes .
Ru(1) S(1) 2.4860(5) yes .
Ru(1) P(1) 2.3048(6) yes .
Ru(1) C(7) 2.181(2) yes .
Ru(1) C(8) 2.207(2) yes .
Ru(1) C(9) 2.235(2) yes .
Ru(1) C(10) 2.319(2) yes .
Ru(1) C(11) 2.280(3) yes .
Ru(1) C(12) 2.243(2) yes .
Ge(1) S(1) 2.1877(5) yes .
Ge(1) C(1) 1.999(2) yes .
Ge(1) C(25) 1.974(2) yes .
P(1) C(35) 1.837(2) yes .
P(1) C(41) 1.8417(18) yes .
P(1) C(47) 1.835(2) yes .
C(1) C(2) 1.403(3) yes .
C(1) C(6) 1.406(2) yes .
C(2) C(3) 1.401(3) yes .
C(2) C(7) 1.502(2) yes .
C(3) C(4) 1.391(3) yes .
C(4) C(5) 1.376(4) yes .
C(5) C(6) 1.401(3) yes .
C(6) C(16) 1.506(3) yes .
C(7) C(8) 1.443(2) yes .
C(7) C(12) 1.418(3) yes .
C(8) C(9) 1.421(2) yes .
C(8) C(13) 1.504(3) yes .
C(9) C(10) 1.427(3) yes .
C(10) C(11) 1.397(3) yes .
C(10) C(14) 1.509(2) yes .
C(11) C(12) 1.429(2) yes .
C(12) C(15) 1.493(3) yes .
C(16) C(17) 1.404(3) yes .
C(16) C(21) 1.398(3) yes .
C(17) C(18) 1.399(3) yes .
C(17) C(22) 1.499(4) yes .
C(18) C(19) 1.390(4) yes .
C(19) C(20) 1.382(3) yes .
C(19) C(23) 1.508(3) yes .
C(20) C(21) 1.395(3) yes .
C(21) C(24) 1.498(3) yes .
C(25) C(26) 1.410(3) yes .
C(25) C(30) 1.415(3) yes .
C(26) C(27) 1.396(4) yes .
C(26) C(31) 1.511(3) yes .
C(27) C(28) 1.382(3) yes .
C(28) C(29) 1.381(3) yes .
C(29) C(30) 1.386(4) yes .
C(30) C(33) 1.511(3) yes .
C(31) C(32) 1.467(4) yes .
C(33) C(34) 1.526(3) yes .
C(35) C(36) 1.399(2) yes .
C(35) C(40) 1.393(3) yes .
C(36) C(37) 1.385(4) yes .
C(37) C(38) 1.387(4) yes .
C(38) C(39) 1.377(3) yes .
C(39) C(40) 1.387(4) yes .
C(41) C(42) 1.405(3) yes .
C(41) C(46) 1.398(2) yes .
C(42) C(43) 1.383(2) yes .
C(43) C(44) 1.392(3) yes .
C(44) C(45) 1.380(3) yes .
C(45) C(46) 1.394(3) yes .
C(47) C(48) 1.398(3) yes .
C(47) C(52) 1.397(3) yes .
C(48) C(49) 1.384(3) yes .
C(49) C(50) 1.388(4) yes .
C(50) C(51) 1.388(3) yes .
C(51) C(52) 1.391(3) yes .
C(53) C(54) 1.38(2) yes .
C(53) C(56) 1.839(18) yes 2_766
C(53) C(58) 1.357(16) yes .
C(54) C(55) 1.344(18) yes .
C(54) C(55) 1.60(2) yes 2_766
C(54) C(56) 0.554(18) yes 2_766
C(55) C(55) 1.008(18) yes 2_766
C(55) C(56) 1.40(2) yes .
C(55) C(56) 0.848(17) yes 2_766
C(55) C(57) 1.389(15) yes 2_766
C(55) C(58) 1.811(12) yes 2_766
C(56) C(57) 1.418(12) yes .
C(57) C(58) 1.269(7) yes .
C(3) H(1) 0.970 no .
C(4) H(2) 0.970 no .
C(5) H(3) 0.970 no .
C(9) H(4) 0.970 no .
C(11) H(5) 0.970 no .
C(13) H(6) 0.970 no .
C(13) H(7) 0.970 no .
C(13) H(8) 0.970 no .
C(14) H(9) 0.970 no .
C(14) H(10) 0.970 no .
C(14) H(11) 0.970 no .
C(15) H(12) 0.970 no .
C(15) H(13) 0.970 no .
C(15) H(14) 0.970 no .
C(18) H(15) 0.970 no .
C(20) H(16) 0.970 no .
C(22) H(17) 0.970 no .
C(22) H(18) 0.970 no .
C(22) H(19) 0.970 no .
C(23) H(20) 0.970 no .
C(23) H(21) 0.970 no .
C(23) H(22) 0.970 no .
C(24) H(23) 0.970 no .
C(24) H(24) 0.970 no .
C(24) H(25) 0.970 no .
C(27) H(26) 0.970 no .
C(28) H(27) 0.970 no .
C(29) H(28) 0.970 no .
C(31) H(29) 0.970 no .
C(31) H(30) 0.970 no .
C(32) H(31) 0.970 no .
C(32) H(32) 0.970 no .
C(32) H(33) 0.970 no .
C(33) H(34) 0.970 no .
C(33) H(35) 0.970 no .
C(34) H(36) 0.970 no .
C(34) H(37) 0.970 no .
C(34) H(38) 0.970 no .
C(36) H(39) 0.970 no .
C(37) H(40) 0.970 no .
C(38) H(41) 0.970 no .
C(39) H(42) 0.970 no .
C(40) H(43) 0.970 no .
C(42) H(44) 0.970 no .
C(43) H(45) 0.970 no .
C(44) H(46) 0.970 no .
C(45) H(47) 0.970 no .
C(46) H(48) 0.970 no .
C(48) H(49) 0.970 no .
C(49) H(50) 0.970 no .
C(50) H(51) 0.970 no .
C(51) H(52) 0.970 no .
C(52) H(53) 0.970 no .
C(53) H(54) 0.970 no .
C(54) H(55) 0.970 no .
C(54) H(57) 0.499 no 2_766
C(55) H(56) 0.970 no .
C(56) H(55) 1.198 no 2_766
C(56) H(57) 0.970 no .
C(57) H(56) 0.766 no 2_766
C(57) H(58) 0.970 no .
C(58) H(56) 0.888 no 2_766
H(55) H(57) 0.640 no 2_766
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
C(4) C(24) 3.590(4) 2_665
C(15) C(39) 3.478(3) 1_545
C(24) C(4) 3.590(4) 2_665
C(39) C(15) 3.478(3) 1_565
C(45) C(54) 3.44(2) 1_565
C(54) C(45) 3.44(2) 1_545
S(1) H(46) 3.266 1_445
S(1) H(51) 3.262 2_666
S(1) H(52) 3.008 2_666
C(3) H(22) 3.343 1_655
C(3) H(23) 3.152 2_665
C(3) H(26) 3.203 1_655
C(4) H(22) 3.079 1_655
C(4) H(23) 2.992 2_665
C(4) H(24) 3.582 2_665
C(4) H(28) 3.595 2_665
C(5) H(20) 3.300 2_555
C(5) H(23) 3.456 2_665
C(5) H(24) 3.503 2_665
C(5) H(25) 3.581 2_665
C(5) H(35) 3.553 2_665
C(5) H(36) 3.187 2_665
C(7) H(26) 3.451 1_655
C(7) H(33) 3.239 1_655
C(8) H(26) 3.306 1_655
C(8) H(33) 3.376 1_655
C(9) H(33) 3.401 1_655
C(9) H(40) 3.077 1_655
C(9) H(41) 3.178 1_655
C(10) H(33) 3.327 1_655
C(10) H(40) 2.991 1_655
C(11) H(33) 3.190 1_655
C(11) H(57) 3.543 2_766
C(12) H(31) 3.363 1_655
C(12) H(33) 3.124 1_655
C(13) H(25) 3.503 2_665
C(13) H(26) 3.249 1_655
C(13) H(27) 3.314 1_655
C(14) H(40) 3.048 1_655
C(14) H(47) 3.229 2_776
C(14) H(48) 3.423 2_776
C(15) H(31) 3.493 1_655
C(15) H(42) 2.753 1_545
C(15) H(43) 3.158 1_545
C(15) H(51) 3.299 2_666
C(16) H(20) 3.191 2_555
C(17) H(20) 2.999 2_555
C(17) H(21) 3.508 2_555
C(18) H(20) 3.140 2_555
C(18) H(45) 3.347 1_445
C(19) H(20) 3.473 2_555
C(20) H(27) 3.331 2_565
C(21) H(20) 3.531 2_555
C(22) H(21) 3.517 2_555
C(22) H(41) 3.471 1_545
C(22) H(42) 3.138 1_545
C(22) H(45) 3.414 1_445
C(23) H(2) 3.004 1_455
C(23) H(3) 3.251 2_555
C(23) H(19) 3.416 2_555
C(23) H(27) 3.491 2_565
C(23) H(36) 2.998 1_445
C(23) H(37) 3.390 1_445
C(24) H(7) 3.202 2_665
C(24) H(24) 3.505 2_665
C(24) H(25) 3.232 2_665
C(24) H(35) 3.551 2_665
C(27) H(1) 3.334 1_455
C(27) H(6) 2.985 1_455
C(28) H(6) 2.914 1_455
C(28) H(16) 3.312 2_565
C(28) H(19) 3.394 1_565
C(28) H(21) 3.266 2_565
C(29) H(2) 3.292 2_665
C(29) H(19) 3.390 1_565
C(29) H(21) 3.397 2_565
C(31) H(45) 3.245 1_445
C(32) H(45) 3.270 1_445
C(32) H(46) 3.462 1_445
C(32) H(55) 3.312 1_455
C(32) H(58) 3.382 2_666
C(33) H(3) 3.469 2_665
C(33) H(25) 3.574 2_665
C(34) H(3) 3.167 2_665
C(34) H(20) 3.359 1_665
C(34) H(22) 3.017 1_665
C(35) H(50) 3.228 2_676
C(36) H(50) 3.193 2_676
C(36) H(58) 3.584 2_666
C(37) H(11) 3.145 1_455
C(37) H(50) 3.049 2_676
C(38) H(4) 3.347 1_455
C(38) H(50) 2.949 2_676
C(38) H(51) 3.471 2_676
C(39) H(12) 3.213 1_565
C(39) H(13) 3.232 1_565
C(39) H(14) 3.415 1_565
C(39) H(18) 3.584 1_565
C(39) H(50) 2.957 2_676
C(39) H(51) 3.080 2_676
C(40) H(13) 3.309 1_565
C(40) H(14) 3.382 1_565
C(40) H(50) 3.085 2_676
C(41) H(54) 3.498 1_565
C(43) H(17) 3.182 1_665
C(43) H(31) 2.952 1_665
C(43) H(55) 3.577 1_565
C(44) H(17) 3.539 1_665
C(44) H(31) 3.267 1_665
C(44) H(32) 3.447 1_665
C(44) H(51) 3.561 2_776
C(44) H(55) 2.878 1_565
C(44) H(57) 3.348 2_776
C(44) H(58) 3.495 2_776
C(45) H(10) 3.186 2_776
C(45) H(54) 3.570 1_565
C(45) H(55) 2.813 1_565
C(45) H(57) 3.121 2_776
C(46) H(10) 3.588 2_776
C(46) H(54) 3.249 1_565
C(46) H(55) 3.483 1_565
C(46) H(57) 3.565 2_776
C(47) H(47) 3.539 2_776
C(48) H(49) 3.521 2_676
C(48) H(50) 3.380 2_676
C(49) H(49) 3.231 2_676
C(50) H(13) 3.353 2_666
C(50) H(46) 3.194 2_776
C(50) H(47) 3.177 2_776
C(51) H(46) 3.264 2_776
C(51) H(47) 2.895 2_776
C(51) H(52) 3.329 2_666
C(51) H(53) 3.424 2_666
C(51) H(58) 3.578 .
C(52) H(47) 3.085 2_776
C(52) H(52) 3.177 2_666
C(53) H(5) 2.709 .
C(53) H(10) 3.533 2_766
C(53) H(11) 3.069 2_766
C(53) H(13) 3.230 .
C(53) H(49) 3.581 1_545
C(54) H(5) 2.882 .
C(54) H(10) 3.126 2_766
C(54) H(11) 3.248 2_766
C(54) H(32) 3.523 1_655
C(54) H(47) 3.402 1_545
C(55) H(5) 3.323 .
C(55) H(5) 3.097 2_766
C(55) H(10) 3.404 .
C(55) H(10) 3.229 2_766
C(55) H(11) 3.053 .
C(55) H(11) 3.366 2_766
C(56) H(5) 3.030 2_766
C(56) H(10) 3.131 .
C(56) H(11) 3.349 .
C(56) H(11) 3.330 2_766
C(56) H(32) 3.487 2_666
C(56) H(47) 3.580 2_776
C(57) H(5) 3.414 .
C(57) H(10) 3.449 .
C(57) H(11) 3.183 2_766
C(57) H(32) 3.078 2_666
C(57) H(39) 3.261 2_666
C(57) H(52) 3.514 .
C(58) H(5) 3.008 .
C(58) H(11) 3.042 2_766
C(58) H(39) 3.333 2_666
H(1) C(27) 3.334 1_655
H(1) H(22) 2.941 1_655
H(1) H(23) 3.432 2_665
H(1) H(26) 2.411 1_655
H(1) H(30) 3.164 1_655
H(1) H(31) 3.517 1_655
H(1) H(33) 3.337 1_655
H(2) C(23) 3.004 1_655
H(2) C(29) 3.292 2_665
H(2) H(21) 2.718 1_655
H(2) H(22) 2.428 1_655
H(2) H(23) 3.128 2_665
H(2) H(28) 2.800 2_665
H(2) H(36) 3.371 2_665
H(3) C(23) 3.251 2_555
H(3) C(33) 3.469 2_665
H(3) C(34) 3.167 2_665
H(3) H(20) 2.510 2_555
H(3) H(21) 3.446 2_555
H(3) H(22) 3.359 2_555
H(3) H(24) 3.567 2_665
H(3) H(28) 3.582 2_665
H(3) H(35) 2.933 2_665
H(3) H(36) 2.296 2_665
H(4) C(38) 3.347 1_655
H(4) H(40) 3.113 1_655
H(4) H(41) 2.579 1_655
H(5) C(53) 2.709 .
H(5) C(54) 2.882 .
H(5) C(55) 3.323 .
H(5) C(55) 3.097 2_766
H(5) C(56) 3.030 2_766
H(5) C(57) 3.414 .
H(5) C(58) 3.008 .
H(5) H(54) 3.003 .
H(5) H(55) 3.253 .
H(5) H(56) 3.009 2_766
H(5) H(57) 2.876 2_766
H(6) C(27) 2.985 1_655
H(6) C(28) 2.914 1_655
H(6) H(16) 3.068 2_665
H(6) H(23) 3.354 2_665
H(6) H(26) 2.494 1_655
H(6) H(27) 2.362 1_655
H(7) C(24) 3.202 2_665
H(7) H(16) 3.570 2_665
H(7) H(23) 2.999 2_665
H(7) H(25) 2.627 2_665
H(8) H(15) 3.005 1_665
H(9) H(40) 3.298 1_655
H(9) H(47) 3.234 2_776
H(9) H(48) 2.991 2_776
H(10) C(45) 3.186 2_776
H(10) C(46) 3.588 2_776
H(10) C(53) 3.533 2_766
H(10) C(54) 3.126 2_766
H(10) C(55) 3.404 .
H(10) C(55) 3.229 2_766
H(10) C(56) 3.131 .
H(10) C(57) 3.449 .
H(10) H(47) 2.454 2_776
H(10) H(48) 3.252 2_776
H(10) H(55) 3.314 2_766
H(10) H(56) 3.482 2_766
H(10) H(57) 3.287 .
H(11) C(37) 3.145 1_655
H(11) C(53) 3.069 2_766
H(11) C(54) 3.248 2_766
H(11) C(55) 3.053 .
H(11) C(55) 3.366 2_766
H(11) C(56) 3.349 .
H(11) C(56) 3.330 2_766
H(11) C(57) 3.183 2_766
H(11) C(58) 3.042 2_766
H(11) H(40) 2.475 1_655
H(11) H(48) 3.477 2_776
H(11) H(54) 3.508 2_766
H(11) H(56) 2.933 .
H(11) H(57) 3.484 .
H(12) C(39) 3.213 1_545
H(12) H(42) 2.329 1_545
H(12) H(43) 3.464 1_545
H(12) H(51) 3.069 2_666
H(13) C(39) 3.232 1_545
H(13) C(40) 3.309 1_545
H(13) C(50) 3.353 2_666
H(13) C(53) 3.230 .
H(13) H(42) 2.695 1_545
H(13) H(43) 2.840 1_545
H(13) H(51) 2.658 2_666
H(13) H(54) 2.768 .
H(14) C(39) 3.415 1_545
H(14) C(40) 3.382 1_545
H(14) H(31) 2.902 1_655
H(14) H(33) 3.576 1_655
H(14) H(38) 3.277 1_545
H(14) H(42) 2.782 1_545
H(14) H(43) 2.715 1_545
H(15) H(8) 3.005 1_445
H(15) H(20) 3.552 2_555
H(15) H(37) 3.058 1_445
H(15) H(45) 2.902 1_445
H(16) C(28) 3.312 2_565
H(16) H(6) 3.068 2_665
H(16) H(7) 3.570 2_665
H(16) H(27) 2.462 2_565
H(17) C(43) 3.182 1_445
H(17) C(44) 3.539 1_445
H(17) H(41) 2.942 1_545
H(17) H(42) 3.062 1_545
H(17) H(45) 2.562 1_445
H(17) H(46) 3.251 1_445
H(18) C(39) 3.584 1_545
H(18) H(42) 2.718 1_545
H(19) C(23) 3.416 2_555
H(19) C(28) 3.394 1_545
H(19) C(29) 3.390 1_545
H(19) H(20) 3.221 2_555
H(19) H(21) 2.756 2_555
H(19) H(27) 2.937 1_545
H(19) H(28) 2.914 1_545
H(19) H(41) 3.256 1_545
H(19) H(42) 3.116 1_545
H(20) C(5) 3.300 2_555
H(20) C(16) 3.191 2_555
H(20) C(17) 2.999 2_555
H(20) C(18) 3.140 2_555
H(20) C(19) 3.473 2_555
H(20) C(21) 3.531 2_555
H(20) C(34) 3.359 1_445
H(20) H(3) 2.510 2_555
H(20) H(15) 3.552 2_555
H(20) H(19) 3.221 2_555
H(20) H(36) 2.651 1_445
H(20) H(37) 3.208 1_445
H(21) C(17) 3.508 2_555
H(21) C(22) 3.517 2_555
H(21) C(28) 3.266 2_565
H(21) C(29) 3.397 2_565
H(21) H(2) 2.718 1_455
H(21) H(3) 3.446 2_555
H(21) H(19) 2.756 2_555
H(21) H(27) 2.582 2_565
H(21) H(28) 2.856 2_565
H(21) H(36) 3.589 1_445
H(22) C(3) 3.343 1_455
H(22) C(4) 3.079 1_455
H(22) C(34) 3.017 1_445
H(22) H(1) 2.941 1_455
H(22) H(2) 2.428 1_455
H(22) H(3) 3.359 2_555
H(22) H(36) 2.482 1_445
H(22) H(37) 2.785 1_445
H(22) H(38) 3.370 1_445
H(23) C(3) 3.152 2_665
H(23) C(4) 2.992 2_665
H(23) C(5) 3.456 2_665
H(23) H(1) 3.432 2_665
H(23) H(2) 3.128 2_665
H(23) H(6) 3.354 2_665
H(23) H(7) 2.999 2_665
H(24) C(4) 3.582 2_665
H(24) C(5) 3.503 2_665
H(24) C(24) 3.505 2_665
H(24) H(3) 3.567 2_665
H(24) H(24) 3.435 2_665
H(24) H(25) 2.729 2_665
H(25) C(5) 3.581 2_665
H(25) C(13) 3.503 2_665
H(25) C(24) 3.232 2_665
H(25) C(33) 3.574 2_665
H(25) H(7) 2.627 2_665
H(25) H(24) 2.729 2_665
H(25) H(25) 2.849 2_665
H(25) H(35) 2.605 2_665
H(26) C(3) 3.203 1_455
H(26) C(7) 3.451 1_455
H(26) C(8) 3.306 1_455
H(26) C(13) 3.249 1_455
H(26) H(1) 2.411 1_455
H(26) H(6) 2.494 1_455
H(27) C(13) 3.314 1_455
H(27) C(20) 3.331 2_565
H(27) C(23) 3.491 2_565
H(27) H(6) 2.362 1_455
H(27) H(16) 2.462 2_565
H(27) H(19) 2.937 1_565
H(27) H(21) 2.582 2_565
H(28) C(4) 3.595 2_665
H(28) H(2) 2.800 2_665
H(28) H(3) 3.582 2_665
H(28) H(19) 2.914 1_565
H(28) H(21) 2.856 2_565
H(29) H(45) 3.003 1_445
H(29) H(46) 3.157 1_445
H(30) H(1) 3.164 1_455
H(30) H(45) 2.967 1_445
H(31) C(12) 3.363 1_455
H(31) C(15) 3.493 1_455
H(31) C(43) 2.952 1_445
H(31) C(44) 3.267 1_445
H(31) H(1) 3.517 1_455
H(31) H(14) 2.902 1_455
H(31) H(45) 2.648 1_445
H(31) H(46) 3.237 1_445
H(31) H(55) 3.017 1_455
H(31) H(57) 3.353 2_666
H(32) C(44) 3.447 1_445
H(32) C(54) 3.523 1_455
H(32) C(56) 3.487 2_666
H(32) C(57) 3.078 2_666
H(32) H(45) 3.514 1_445
H(32) H(46) 3.021 1_445
H(32) H(55) 2.776 1_455
H(32) H(57) 3.257 2_666
H(32) H(58) 2.464 2_666
H(33) C(7) 3.239 1_455
H(33) C(8) 3.376 1_455
H(33) C(9) 3.401 1_455
H(33) C(10) 3.327 1_455
H(33) C(11) 3.190 1_455
H(33) C(12) 3.124 1_455
H(33) H(1) 3.337 1_455
H(33) H(14) 3.576 1_455
H(35) C(5) 3.553 2_665
H(35) C(24) 3.551 2_665
H(35) H(3) 2.933 2_665
H(35) H(25) 2.605 2_665
H(36) C(5) 3.187 2_665
H(36) C(23) 2.998 1_665
H(36) H(2) 3.371 2_665
H(36) H(3) 2.296 2_665
H(36) H(20) 2.651 1_665
H(36) H(21) 3.589 1_665
H(36) H(22) 2.482 1_665
H(37) C(23) 3.390 1_665
H(37) H(15) 3.058 1_665
H(37) H(20) 3.208 1_665
H(37) H(22) 2.785 1_665
H(38) H(14) 3.277 1_565
H(38) H(22) 3.370 1_665
H(39) C(57) 3.261 2_666
H(39) C(58) 3.333 2_666
H(39) H(58) 2.729 2_666
H(40) C(9) 3.077 1_455
H(40) C(10) 2.991 1_455
H(40) C(14) 3.048 1_455
H(40) H(4) 3.113 1_455
H(40) H(9) 3.298 1_455
H(40) H(11) 2.475 1_455
H(40) H(50) 3.570 2_676
H(40) H(58) 3.586 2_666
H(41) C(9) 3.178 1_455
H(41) C(22) 3.471 1_565
H(41) H(4) 2.579 1_455
H(41) H(17) 2.942 1_565
H(41) H(19) 3.256 1_565
H(41) H(50) 3.440 2_676
H(41) H(51) 3.537 2_676
H(42) C(15) 2.753 1_565
H(42) C(22) 3.138 1_565
H(42) H(12) 2.329 1_565
H(42) H(13) 2.695 1_565
H(42) H(14) 2.782 1_565
H(42) H(17) 3.062 1_565
H(42) H(18) 2.718 1_565
H(42) H(19) 3.116 1_565
H(42) H(50) 3.447 2_676
H(42) H(51) 2.843 2_676
H(43) C(15) 3.158 1_565
H(43) H(12) 3.464 1_565
H(43) H(13) 2.840 1_565
H(43) H(14) 2.715 1_565
H(43) H(54) 3.196 1_565
H(45) C(18) 3.347 1_665
H(45) C(22) 3.414 1_665
H(45) C(31) 3.245 1_665
H(45) C(32) 3.270 1_665
H(45) H(15) 2.902 1_665
H(45) H(17) 2.562 1_665
H(45) H(29) 3.003 1_665
H(45) H(30) 2.967 1_665
H(45) H(31) 2.648 1_665
H(45) H(32) 3.514 1_665
H(46) S(1) 3.266 1_665
H(46) C(32) 3.462 1_665
H(46) C(50) 3.194 2_776
H(46) C(51) 3.264 2_776
H(46) H(17) 3.251 1_665
H(46) H(29) 3.157 1_665
H(46) H(31) 3.237 1_665
H(46) H(32) 3.021 1_665
H(46) H(51) 2.920 2_776
H(46) H(52) 3.061 2_776
H(46) H(55) 3.006 1_565
H(46) H(57) 3.583 2_776
H(46) H(58) 3.051 2_776
H(47) C(14) 3.229 2_776
H(47) C(47) 3.539 2_776
H(47) C(50) 3.177 2_776
H(47) C(51) 2.895 2_776
H(47) C(52) 3.085 2_776
H(47) C(54) 3.402 1_565
H(47) C(56) 3.580 2_776
H(47) H(9) 3.234 2_776
H(47) H(10) 2.454 2_776
H(47) H(48) 3.102 2_776
H(47) H(51) 3.586 2_776
H(47) H(52) 3.166 2_776
H(47) H(53) 3.446 2_776
H(47) H(55) 2.888 1_565
H(47) H(57) 3.205 2_776
H(47) H(58) 3.409 2_776
H(48) C(14) 3.423 2_776
H(48) H(9) 2.991 2_776
H(48) H(10) 3.252 2_776
H(48) H(11) 3.477 2_776
H(48) H(47) 3.102 2_776
H(48) H(48) 3.197 2_776
H(48) H(54) 3.393 1_565
H(49) C(48) 3.521 2_676
H(49) C(49) 3.231 2_676
H(49) C(53) 3.581 1_565
H(49) H(49) 3.255 2_676
H(49) H(50) 2.712 2_676
H(49) H(54) 2.906 1_565
H(50) C(35) 3.228 2_676
H(50) C(36) 3.193 2_676
H(50) C(37) 3.049 2_676
H(50) C(38) 2.949 2_676
H(50) C(39) 2.957 2_676
H(50) C(40) 3.085 2_676
H(50) C(48) 3.380 2_676
H(50) H(40) 3.570 2_676
H(50) H(41) 3.440 2_676
H(50) H(42) 3.447 2_676
H(50) H(49) 2.712 2_676
H(51) S(1) 3.262 2_666
H(51) C(15) 3.299 2_666
H(51) C(38) 3.471 2_676
H(51) C(39) 3.080 2_676
H(51) C(44) 3.561 2_776
H(51) H(12) 3.069 2_666
H(51) H(13) 2.658 2_666
H(51) H(41) 3.537 2_676
H(51) H(42) 2.843 2_676
H(51) H(46) 2.920 2_776
H(51) H(47) 3.586 2_776
H(52) S(1) 3.008 2_666
H(52) C(51) 3.329 2_666
H(52) C(52) 3.177 2_666
H(52) C(57) 3.514 .
H(52) H(46) 3.061 2_776
H(52) H(47) 3.166 2_776
H(52) H(52) 3.039 2_666
H(52) H(53) 2.755 2_666
H(52) H(58) 2.862 .
H(53) C(51) 3.424 2_666
H(53) H(47) 3.446 2_776
H(53) H(52) 2.755 2_666
H(54) C(41) 3.498 1_545
H(54) C(45) 3.570 1_545
H(54) C(46) 3.249 1_545
H(54) H(5) 3.003 .
H(54) H(11) 3.508 2_766
H(54) H(13) 2.768 .
H(54) H(43) 3.196 1_545
H(54) H(48) 3.393 1_545
H(54) H(49) 2.906 1_545
H(55) C(32) 3.312 1_655
H(55) C(43) 3.577 1_545
H(55) C(44) 2.878 1_545
H(55) C(45) 2.813 1_545
H(55) C(46) 3.483 1_545
H(55) H(5) 3.253 .
H(55) H(10) 3.314 2_766
H(55) H(31) 3.017 1_655
H(55) H(32) 2.776 1_655
H(55) H(46) 3.006 1_545
H(55) H(47) 2.888 1_545
H(56) H(5) 3.009 2_766
H(56) H(10) 3.482 2_766
H(56) H(11) 2.933 .
H(57) C(11) 3.543 2_766
H(57) C(44) 3.348 2_776
H(57) C(45) 3.121 2_776
H(57) C(46) 3.565 2_776
H(57) H(5) 2.876 2_766
H(57) H(10) 3.287 .
H(57) H(11) 3.484 .
H(57) H(31) 3.353 2_666
H(57) H(32) 3.257 2_666
H(57) H(46) 3.583 2_776
H(57) H(47) 3.205 2_776
H(58) C(32) 3.382 2_666
H(58) C(36) 3.584 2_666
H(58) C(44) 3.495 2_776
H(58) C(51) 3.578 .
H(58) H(32) 2.464 2_666
H(58) H(39) 2.729 2_666
H(58) H(40) 3.586 2_666
H(58) H(46) 3.051 2_776
H(58) H(47) 3.409 2_776
H(58) H(52) 2.862 .
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_3
_geom_torsion_site_symmetry_4
S(1) Ru(1) Ge(1) C(1) -111.40(6) . . .
S(1) Ru(1) Ge(1) C(25) 107.53(9) . . .
Ge(1) Ru(1) P(1) C(35) -2.78(8) . . .
Ge(1) Ru(1) P(1) C(41) -124.87(7) . . .
Ge(1) Ru(1) P(1) C(47) 118.81(7) . . .
P(1) Ru(1) Ge(1) S(1) -85.86(2) . . .
P(1) Ru(1) Ge(1) C(1) 162.74(6) . . .
P(1) Ru(1) Ge(1) C(25) 21.67(9) . . .
Ge(1) Ru(1) C(7) C(2) -2.59(16) . . .
Ge(1) Ru(1) C(7) C(8) 113.16(13) . . .
Ge(1) Ru(1) C(7) C(12) -116.54(10) . . .
C(7) Ru(1) Ge(1) S(1) 116.68(6) . . .
C(7) Ru(1) Ge(1) C(1) 5.28(8) . . .
C(7) Ru(1) Ge(1) C(25) -135.79(11) . . .
Ge(1) Ru(1) C(8) C(7) -66.46(13) . . .
Ge(1) Ru(1) C(8) C(9) 164.11(14) . . .
Ge(1) Ru(1) C(8) C(13) 49.13(17) . . .
C(8) Ru(1) Ge(1) S(1) 151.81(7) . . .
C(8) Ru(1) Ge(1) C(1) 40.41(9) . . .
C(8) Ru(1) Ge(1) C(25) -100.66(11) . . .
Ge(1) Ru(1) C(9) C(8) -21.70(19) . . .
Ge(1) Ru(1) C(9) C(10) -155.66(11) . . .
C(9) Ru(1) Ge(1) S(1) 164.86(9) . . .
C(9) Ru(1) Ge(1) C(1) 53.47(11) . . .
C(9) Ru(1) Ge(1) C(25) -87.60(13) . . .
Ge(1) Ru(1) C(10) C(9) 66.0(2) . . .
Ge(1) Ru(1) C(10) C(11) -65.9(2) . . .
Ge(1) Ru(1) C(10) C(14) 178.47(15) . . .
C(10) Ru(1) Ge(1) S(1) 117.22(19) . . .
C(10) Ru(1) Ge(1) C(1) 5.8(2) . . .
C(10) Ru(1) Ge(1) C(25) -135.2(2) . . .
Ge(1) Ru(1) C(11) C(10) 155.27(11) . . .
Ge(1) Ru(1) C(11) C(12) 21.93(16) . . .
C(11) Ru(1) Ge(1) S(1) 70.29(8) . . .
C(11) Ru(1) Ge(1) C(1) -41.11(10) . . .
C(11) Ru(1) Ge(1) C(25) 177.83(12) . . .
Ge(1) Ru(1) C(12) C(7) 63.53(10) . . .
Ge(1) Ru(1) C(12) C(11) -164.15(11) . . .
Ge(1) Ru(1) C(12) C(15) -50.2(2) . . .
C(12) Ru(1) Ge(1) S(1) 83.38(6) . . .
C(12) Ru(1) Ge(1) C(1) -28.02(8) . . .
C(12) Ru(1) Ge(1) C(25) -169.09(11) . . .
S(1) Ru(1) P(1) C(35) -55.50(8) . . .
S(1) Ru(1) P(1) C(41) -177.59(7) . . .
S(1) Ru(1) P(1) C(47) 66.09(7) . . .
P(1) Ru(1) S(1) Ge(1) 99.956(19) . . .
S(1) Ru(1) C(7) C(2) 45.03(18) . . .
S(1) Ru(1) C(7) C(8) 160.77(11) . . .
S(1) Ru(1) C(7) C(12) -68.93(11) . . .
C(7) Ru(1) S(1) Ge(1) -66.44(7) . . .
S(1) Ru(1) C(8) C(7) -30.04(19) . . .
S(1) Ru(1) C(8) C(9) -159.48(12) . . .
S(1) Ru(1) C(8) C(13) 85.5(2) . . .
C(8) Ru(1) S(1) Ge(1) -47.63(11) . . .
S(1) Ru(1) C(9) C(8) 88.9(2) . . .
S(1) Ru(1) C(9) C(10) -45.0(3) . . .
C(9) Ru(1) S(1) Ge(1) -120.4(2) . . .
S(1) Ru(1) C(10) C(9) 167.44(11) . . .
S(1) Ru(1) C(10) C(11) 35.62(17) . . .
S(1) Ru(1) C(10) C(14) -80.1(2) . . .
C(10) Ru(1) S(1) Ge(1) -155.95(8) . . .
S(1) Ru(1) C(11) C(10) -154.40(12) . . .
S(1) Ru(1) C(11) C(12) 72.26(12) . . .
C(11) Ru(1) S(1) Ge(1) -135.72(6) . . .
S(1) Ru(1) C(12) C(7) 115.88(10) . . .
S(1) Ru(1) C(12) C(11) -111.80(12) . . .
S(1) Ru(1) C(12) C(15) 2.1(2) . . .
C(12) Ru(1) S(1) Ge(1) -100.92(6) . . .
P(1) Ru(1) C(7) C(2) -96.66(19) . . .
P(1) Ru(1) C(7) C(8) 19.1(2) . . .
P(1) Ru(1) C(7) C(12) 149.38(13) . . .
C(7) Ru(1) P(1) C(35) 87.76(17) . . .
C(7) Ru(1) P(1) C(41) -34.33(18) . . .
C(7) Ru(1) P(1) C(47) -150.66(17) . . .
P(1) Ru(1) C(8) C(7) -171.75(11) . . .
P(1) Ru(1) C(8) C(9) 58.81(16) . . .
P(1) Ru(1) C(8) C(13) -56.17(18) . . .
C(8) Ru(1) P(1) C(35) 101.34(10) . . .
C(8) Ru(1) P(1) C(41) -20.75(10) . . .
C(8) Ru(1) P(1) C(47) -137.08(9) . . .
P(1) Ru(1) C(9) C(8) -131.79(14) . . .
P(1) Ru(1) C(9) C(10) 94.25(13) . . .
C(9) Ru(1) P(1) C(35) 132.85(10) . . .
C(9) Ru(1) P(1) C(41) 10.76(10) . . .
C(9) Ru(1) P(1) C(47) -105.56(9) . . .
P(1) Ru(1) C(10) C(9) -91.01(13) . . .
P(1) Ru(1) C(10) C(11) 137.17(13) . . .
P(1) Ru(1) C(10) C(14) 21.5(2) . . .
C(10) Ru(1) P(1) C(35) 169.67(10) . . .
C(10) Ru(1) P(1) C(41) 47.58(9) . . .
C(10) Ru(1) P(1) C(47) -68.74(9) . . .
P(1) Ru(1) C(11) C(10) -53.02(15) . . .
P(1) Ru(1) C(11) C(12) 173.64(10) . . .
C(11) Ru(1) P(1) C(35) -162.46(10) . . .
C(11) Ru(1) P(1) C(41) 75.45(10) . . .
C(11) Ru(1) P(1) C(47) -40.88(9) . . .
P(1) Ru(1) C(12) C(7) -147.40(13) . . .
P(1) Ru(1) C(12) C(11) -15.1(2) . . .
P(1) Ru(1) C(12) C(15) 98.8(2) . . .
C(12) Ru(1) P(1) C(35) -151.79(17) . . .
C(12) Ru(1) P(1) C(41) 86.12(17) . . .
C(12) Ru(1) P(1) C(47) -30.20(17) . . .
C(7) Ru(1) C(8) C(9) -129.4(2) . . .
C(7) Ru(1) C(8) C(13) 115.6(2) . . .
C(8) Ru(1) C(7) C(2) -115.7(2) . . .
C(8) Ru(1) C(7) C(12) 130.30(18) . . .
C(7) Ru(1) C(9) C(8) 31.30(15) . . .
C(7) Ru(1) C(9) C(10) -102.66(16) . . .
C(9) Ru(1) C(7) C(2) -146.2(2) . . .
C(9) Ru(1) C(7) C(8) -30.46(13) . . .
C(9) Ru(1) C(7) C(12) 99.84(13) . . .
C(7) Ru(1) C(10) C(9) 66.51(14) . . .
C(7) Ru(1) C(10) C(11) -65.31(14) . . .
C(7) Ru(1) C(10) C(14) 179.0(2) . . .
C(10) Ru(1) C(7) C(2) 177.60(19) . . .
C(10) Ru(1) C(7) C(8) -66.66(13) . . .
C(10) Ru(1) C(7) C(12) 63.64(12) . . .
C(7) Ru(1) C(11) C(10) 104.16(15) . . .
C(7) Ru(1) C(11) C(12) -29.18(12) . . .
C(11) Ru(1) C(7) C(2) 142.74(19) . . .
C(11) Ru(1) C(7) C(8) -101.51(14) . . .
C(11) Ru(1) C(7) C(12) 28.79(11) . . .
C(7) Ru(1) C(12) C(11) 132.32(18) . . .
C(7) Ru(1) C(12) C(15) -113.8(2) . . .
C(12) Ru(1) C(7) C(2) 114.0(2) . . .
C(12) Ru(1) C(7) C(8) -130.30(18) . . .
C(8) Ru(1) C(9) C(10) -134.0(2) . . .
C(9) Ru(1) C(8) C(7) 129.4(2) . . .
C(9) Ru(1) C(8) C(13) -115.0(2) . . .
C(8) Ru(1) C(10) C(9) 28.27(14) . . .
C(8) Ru(1) C(10) C(11) -103.55(15) . . .
C(8) Ru(1) C(10) C(14) 140.8(2) . . .
C(10) Ru(1) C(8) C(7) 101.75(15) . . .
C(10) Ru(1) C(8) C(9) -27.68(15) . . .
C(10) Ru(1) C(8) C(13) -142.7(2) . . .
C(8) Ru(1) C(11) C(10) 65.84(14) . . .
C(8) Ru(1) C(11) C(12) -67.50(13) . . .
C(11) Ru(1) C(8) C(7) 66.76(13) . . .
C(11) Ru(1) C(8) C(9) -62.67(15) . . .
C(11) Ru(1) C(8) C(13) -177.65(18) . . .
C(8) Ru(1) C(12) C(7) -30.78(11) . . .
C(8) Ru(1) C(12) C(11) 101.53(13) . . .
C(8) Ru(1) C(12) C(15) -144.5(2) . . .
C(12) Ru(1) C(8) C(7) 30.01(13) . . .
C(12) Ru(1) C(8) C(9) -99.43(16) . . .
C(12) Ru(1) C(8) C(13) 145.60(19) . . .
C(9) Ru(1) C(10) C(11) -131.8(2) . . .
C(9) Ru(1) C(10) C(14) 112.5(3) . . .
C(10) Ru(1) C(9) C(8) 134.0(2) . . .
C(9) Ru(1) C(11) C(10) 29.32(13) . . .
C(9) Ru(1) C(11) C(12) -104.02(14) . . .
C(11) Ru(1) C(9) C(8) 105.48(16) . . .
C(11) Ru(1) C(9) C(10) -28.48(14) . . .
C(9) Ru(1) C(12) C(7) -68.47(12) . . .
C(9) Ru(1) C(12) C(11) 63.85(13) . . .
C(9) Ru(1) C(12) C(15) 177.8(2) . . .
C(12) Ru(1) C(9) C(8) 68.99(15) . . .
C(12) Ru(1) C(9) C(10) -64.97(14) . . .
C(10) Ru(1) C(11) C(12) -133.3(2) . . .
C(11) Ru(1) C(10) C(9) 131.8(2) . . .
C(11) Ru(1) C(10) C(14) -115.7(2) . . .
C(10) Ru(1) C(12) C(7) -104.76(13) . . .
C(10) Ru(1) C(12) C(11) 27.56(12) . . .
C(10) Ru(1) C(12) C(15) 141.5(2) . . .
C(12) Ru(1) C(10) C(9) 103.20(15) . . .
C(12) Ru(1) C(10) C(11) -28.62(13) . . .
C(12) Ru(1) C(10) C(14) -144.3(2) . . .
C(11) Ru(1) C(12) C(7) -132.32(18) . . .
C(11) Ru(1) C(12) C(15) 113.9(2) . . .
C(12) Ru(1) C(11) C(10) 133.3(2) . . .
Ru(1) Ge(1) C(1) C(2) -8.93(17) . . .
Ru(1) Ge(1) C(1) C(6) 172.82(19) . . .
Ru(1) Ge(1) C(25) C(26) -126.71(14) . . .
Ru(1) Ge(1) C(25) C(30) 54.6(2) . . .
S(1) Ge(1) C(1) C(2) -76.31(17) . . .
S(1) Ge(1) C(1) C(6) 105.4(2) . . .
C(1) Ge(1) S(1) Ru(1) 91.56(6) . . .
S(1) Ge(1) C(25) C(26) -42.65(19) . . .
S(1) Ge(1) C(25) C(30) 138.61(14) . . .
C(25) Ge(1) S(1) Ru(1) -131.45(6) . . .
C(1) Ge(1) C(25) C(26) 95.04(18) . . .
C(1) Ge(1) C(25) C(30) -83.70(17) . . .
C(25) Ge(1) C(1) C(2) 143.47(16) . . .
C(25) Ge(1) C(1) C(6) -34.8(2) . . .
Ru(1) P(1) C(35) C(36) 67.45(18) . . .
Ru(1) P(1) C(35) C(40) -110.97(17) . . .
Ru(1) P(1) C(41) C(42) 62.6(2) . . .
Ru(1) P(1) C(41) C(46) -107.0(2) . . .
Ru(1) P(1) C(47) C(48) 178.31(15) . . .
Ru(1) P(1) C(47) C(52) -3.41(19) . . .
C(35) P(1) C(41) C(42) -69.5(2) . . .
C(35) P(1) C(41) C(46) 120.9(2) . . .
C(41) P(1) C(35) C(36) -168.36(16) . . .
C(41) P(1) C(35) C(40) 13.2(2) . . .
C(35) P(1) C(47) C(48) -48.82(18) . . .
C(35) P(1) C(47) C(52) 129.46(17) . . .
C(47) P(1) C(35) C(36) -61.15(18) . . .
C(47) P(1) C(35) C(40) 120.42(18) . . .
C(41) P(1) C(47) C(48) 59.0(2) . . .
C(41) P(1) C(47) C(52) -122.71(17) . . .
C(47) P(1) C(41) C(42) -173.9(2) . . .
C(47) P(1) C(41) C(46) 16.5(2) . . .
Ge(1) C(1) C(2) C(3) -175.67(19) . . .
Ge(1) C(1) C(2) C(7) 8.4(2) . . .
Ge(1) C(1) C(6) C(5) 173.08(19) . . .
Ge(1) C(1) C(6) C(16) -12.3(3) . . .
C(2) C(1) C(6) C(5) -5.1(3) . . .
C(2) C(1) C(6) C(16) 169.5(2) . . .
C(6) C(1) C(2) C(3) 2.8(3) . . .
C(6) C(1) C(2) C(7) -173.2(2) . . .
C(1) C(2) C(3) C(4) 1.6(3) . . .
C(1) C(2) C(7) Ru(1) -3.2(3) . . .
C(1) C(2) C(7) C(8) -90.5(2) . . .
C(1) C(2) C(7) C(12) 85.2(3) . . .
C(3) C(2) C(7) Ru(1) -179.27(17) . . .
C(3) C(2) C(7) C(8) 93.4(3) . . .
C(3) C(2) C(7) C(12) -90.9(2) . . .
C(7) C(2) C(3) C(4) 177.6(2) . . .
C(2) C(3) C(4) C(5) -3.7(4) . . .
C(3) C(4) C(5) C(6) 1.3(4) . . .
C(4) C(5) C(6) C(1) 3.2(3) . . .
C(4) C(5) C(6) C(16) -171.9(2) . . .
C(1) C(6) C(16) C(17) -87.8(3) . . .
C(1) C(6) C(16) C(21) 101.7(2) . . .
C(5) C(6) C(16) C(17) 87.1(2) . . .
C(5) C(6) C(16) C(21) -83.4(3) . . .
Ru(1) C(7) C(8) C(9) 56.2(2) . . .
Ru(1) C(7) C(8) C(13) -128.5(2) . . .
Ru(1) C(7) C(12) C(11) -54.5(2) . . .
Ru(1) C(7) C(12) C(15) 124.4(2) . . .
C(2) C(7) C(8) Ru(1) 117.8(2) . . .
C(2) C(7) C(8) C(9) 174.0(2) . . .
C(2) C(7) C(8) C(13) -10.7(3) . . .
C(2) C(7) C(12) Ru(1) -118.8(2) . . .
C(2) C(7) C(12) C(11) -173.3(2) . . .
C(2) C(7) C(12) C(15) 5.6(4) . . .
C(8) C(7) C(12) Ru(1) 56.9(2) . . .
C(8) C(7) C(12) C(11) 2.4(4) . . .
C(8) C(7) C(12) C(15) -178.7(2) . . .
C(12) C(7) C(8) Ru(1) -57.8(2) . . .
C(12) C(7) C(8) C(9) -1.6(3) . . .
C(12) C(7) C(8) C(13) 173.7(2) . . .
Ru(1) C(8) C(9) C(10) 55.9(2) . . .
C(7) C(8) C(9) Ru(1) -54.9(2) . . .
C(7) C(8) C(9) C(10) 1.0(3) . . .
C(13) C(8) C(9) Ru(1) 129.7(2) . . .
C(13) C(8) C(9) C(10) -174.4(2) . . .
Ru(1) C(9) C(10) C(11) 52.7(2) . . .
Ru(1) C(9) C(10) C(14) -129.2(2) . . .
C(8) C(9) C(10) Ru(1) -53.8(2) . . .
C(8) C(9) C(10) C(11) -1.2(4) . . .
C(8) C(9) C(10) C(14) 177.0(2) . . .
Ru(1) C(10) C(11) C(12) 53.6(2) . . .
C(9) C(10) C(11) Ru(1) -51.6(2) . . .
C(9) C(10) C(11) C(12) 2.0(4) . . .
C(14) C(10) C(11) Ru(1) 130.3(2) . . .
C(14) C(10) C(11) C(12) -176.1(2) . . .
Ru(1) C(11) C(12) C(7) 52.6(2) . . .
Ru(1) C(11) C(12) C(15) -126.3(2) . . .
C(10) C(11) C(12) Ru(1) -55.2(2) . . .
C(10) C(11) C(12) C(7) -2.6(4) . . .
C(10) C(11) C(12) C(15) 178.4(2) . . .
C(6) C(16) C(17) C(18) -169.3(2) . . .
C(6) C(16) C(17) C(22) 10.0(3) . . .
C(6) C(16) C(21) C(20) 170.0(2) . . .
C(6) C(16) C(21) C(24) -9.4(3) . . .
C(17) C(16) C(21) C(20) -0.3(3) . . .
C(17) C(16) C(21) C(24) -179.7(2) . . .
C(21) C(16) C(17) C(18) 1.3(3) . . .
C(21) C(16) C(17) C(22) -179.4(2) . . .
C(16) C(17) C(18) C(19) -0.5(4) . . .
C(22) C(17) C(18) C(19) -179.8(2) . . .
C(17) C(18) C(19) C(20) -1.3(4) . . .
C(17) C(18) C(19) C(23) 178.2(2) . . .
C(18) C(19) C(20) C(21) 2.4(4) . . .
C(23) C(19) C(20) C(21) -177.2(2) . . .
C(19) C(20) C(21) C(16) -1.6(3) . . .
C(19) C(20) C(21) C(24) 177.8(2) . . .
Ge(1) C(25) C(26) C(27) -178.87(17) . . .
Ge(1) C(25) C(26) C(31) 0.4(3) . . .
Ge(1) C(25) C(30) C(29) 179.68(16) . . .
Ge(1) C(25) C(30) C(33) 2.2(2) . . .
C(26) C(25) C(30) C(29) 0.9(3) . . .
C(26) C(25) C(30) C(33) -176.62(19) . . .
C(30) C(25) C(26) C(27) -0.1(2) . . .
C(30) C(25) C(26) C(31) 179.1(2) . . .
C(25) C(26) C(27) C(28) -0.0(2) . . .
C(25) C(26) C(31) C(32) 115.4(3) . . .
C(27) C(26) C(31) C(32) -65.3(3) . . .
C(31) C(26) C(27) C(28) -179.3(2) . . .
C(26) C(27) C(28) C(29) -0.6(3) . . .
C(27) C(28) C(29) C(30) 1.4(3) . . .
C(28) C(29) C(30) C(25) -1.5(3) . . .
C(28) C(29) C(30) C(33) 176.0(2) . . .
C(25) C(30) C(33) C(34) -159.83(19) . . .
C(29) C(30) C(33) C(34) 22.6(2) . . .
P(1) C(35) C(36) C(37) -177.74(18) . . .
P(1) C(35) C(40) C(39) 176.55(17) . . .
C(36) C(35) C(40) C(39) -1.9(3) . . .
C(40) C(35) C(36) C(37) 0.8(3) . . .
C(35) C(36) C(37) C(38) 0.9(3) . . .
C(36) C(37) C(38) C(39) -1.5(3) . . .
C(37) C(38) C(39) C(40) 0.4(3) . . .
C(38) C(39) C(40) C(35) 1.3(3) . . .
P(1) C(41) C(42) C(43) -168.6(2) . . .
P(1) C(41) C(46) C(45) 167.0(2) . . .
C(42) C(41) C(46) C(45) -2.7(4) . . .
C(46) C(41) C(42) C(43) 1.6(4) . . .
C(41) C(42) C(43) C(44) 0.6(4) . . .
C(42) C(43) C(44) C(45) -1.7(4) . . .
C(43) C(44) C(45) C(46) 0.5(4) . . .
C(44) C(45) C(46) C(41) 1.6(4) . . .
P(1) C(47) C(48) C(49) 179.50(17) . . .
P(1) C(47) C(52) C(51) -178.61(16) . . .
C(48) C(47) C(52) C(51) -0.3(3) . . .
C(52) C(47) C(48) C(49) 1.2(3) . . .
C(47) C(48) C(49) C(50) -1.1(3) . . .
C(48) C(49) C(50) C(51) 0.0(3) . . .
C(49) C(50) C(51) C(52) 0.9(3) . . .
C(50) C(51) C(52) C(47) -0.8(3) . . .
C(54) C(53) C(56) C(55) -175(5) . 2_766 2_766
C(54) C(53) C(56) C(55) -172(6) . 2_766 .
C(56) C(53) C(54) C(55) 5(4) 2_766 . .
C(56) C(53) C(54) C(55) 4(4) 2_766 . 2_766
C(54) C(53) C(58) C(57) -0.5(17) . . .
C(54) C(53) C(58) C(55) -0.3(11) . . 2_766
C(58) C(53) C(54) C(55) 1(2) . . .
C(58) C(53) C(54) C(55) 0.3(12) . . 2_766
C(58) C(53) C(54) C(56) -4(6) . . 2_766
C(56) C(53) C(58) C(57) -1.3(14) 2_766 . .
C(56) C(53) C(58) C(55) -1.1(9) 2_766 . 2_766
C(58) C(53) C(56) C(55) 1.5(12) . 2_766 2_766
C(58) C(53) C(56) C(54) 176(5) . 2_766 .
C(58) C(53) C(56) C(55) 4(2) . 2_766 .
C(53) C(54) C(55) C(54) -1(3) . . 2_766
C(53) C(54) C(55) C(56) 0(2) . . .
C(53) C(54) C(55) C(55) -1(2) . . 2_766
C(53) C(54) C(55) C(56) -170(8) . . 2_766
C(53) C(54) C(55) C(57) 179.4(15) . . 2_766
C(53) C(54) C(55) C(58) 180.0(13) . . 2_766
C(53) C(54) C(55) C(54) 179(2) . 2_766 2_766
C(53) C(54) C(55) C(56) -177(3) . 2_766 2_766
C(53) C(54) C(55) C(55) 178.8(19) . 2_766 .
C(53) C(54) C(55) C(56) 173(4) . 2_766 .
C(53) C(54) C(55) C(57) -0.2(16) . 2_766 .
C(53) C(54) C(55) C(58) -0.2(8) . 2_766 .
C(53) C(54) C(56) C(55) 5(5) . 2_766 2_766
C(53) C(54) C(56) C(57) 176(2) . 2_766 2_766
C(53) C(54) C(56) C(55) 13(10) . 2_766 .
C(55) C(54) C(55) C(56) 5(2) . 2_766 2_766
C(55) C(54) C(55) C(56) -6(4) . 2_766 .
C(55) C(54) C(55) C(57) -179(2) . 2_766 .
C(55) C(54) C(55) C(58) -179.0(17) . 2_766 .
C(55) C(54) C(55) C(56) 1.8(14) 2_766 . .
C(55) C(54) C(55) C(56) -169(7) 2_766 . 2_766
C(55) C(54) C(55) C(57) -179.3(13) 2_766 . 2_766
C(55) C(54) C(55) C(58) -179(2) 2_766 . 2_766
C(55) C(54) C(56) C(53) -13(10) . 2_766 .
C(55) C(54) C(56) C(55) -8(5) . 2_766 2_766
C(55) C(54) C(56) C(57) 163(10) . 2_766 2_766
C(56) C(54) C(55) C(54) 169(7) 2_766 . 2_766
C(56) C(54) C(55) C(56) 171(6) 2_766 . .
C(56) C(54) C(55) C(55) 169(7) 2_766 . 2_766
C(56) C(54) C(55) C(57) -10(6) 2_766 . 2_766
C(56) C(54) C(55) C(58) -10(7) 2_766 . 2_766
C(55) C(54) C(56) C(53) -5(5) 2_766 2_766 .
C(55) C(54) C(56) C(57) 171(5) 2_766 2_766 2_766
C(55) C(54) C(56) C(55) 8(5) 2_766 2_766 .
C(56) C(54) C(55) C(54) -5(4) 2_766 2_766 2_766
C(56) C(54) C(55) C(55) -5(2) 2_766 2_766 .
C(56) C(54) C(55) C(56) -10(6) 2_766 2_766 .
C(56) C(54) C(55) C(57) 176(3) 2_766 2_766 .
C(56) C(54) C(55) C(58) 176(3) 2_766 2_766 .
C(54) C(55) C(55) C(56) -2.5(16) . 2_766 2_766
C(54) C(55) C(55) C(56) 177(2) . 2_766 .
C(54) C(55) C(55) C(58) 2(2) . 2_766 .
C(54) C(55) C(56) C(53) -179.3(15) . . 2_766
C(54) C(55) C(56) C(57) -3(2) . . .
C(54) C(55) C(56) C(54) -177(3) . . 2_766
C(54) C(55) C(56) C(55) -3(2) . . 2_766
C(54) C(55) C(56) C(53) 7(6) . 2_766 .
C(54) C(55) C(56) C(55) 11(7) . 2_766 2_766
C(54) C(55) C(56) C(57) -169(6) . 2_766 2_766
C(54) C(55) C(57) C(56) 2.5(15) . 2_766 2_766
C(54) C(55) C(57) C(58) 179.4(12) . 2_766 2_766
C(54) C(55) C(58) C(53) 179.0(19) . 2_766 2_766
C(54) C(55) C(58) C(57) -0.8(17) . 2_766 2_766
C(54) C(55) C(55) C(56) 177(2) 2_766 2_766 2_766
C(54) C(55) C(55) C(56) -2.5(16) 2_766 2_766 .
C(54) C(55) C(55) C(58) -178(3) 2_766 2_766 .
C(54) C(55) C(56) C(53) -3(2) 2_766 . 2_766
C(54) C(55) C(56) C(57) 174(3) 2_766 . .
C(54) C(55) C(56) C(55) 174(3) 2_766 . 2_766
C(54) C(55) C(56) C(53) -9(5) 2_766 2_766 .
C(54) C(55) C(56) C(55) -5(3) 2_766 2_766 2_766
C(54) C(55) C(56) C(57) 175(4) 2_766 2_766 2_766
C(54) C(55) C(56) C(54) -16(9) 2_766 2_766 .
C(54) C(55) C(57) C(56) -177(2) 2_766 2_766 2_766
C(54) C(55) C(57) C(58) 0.0(17) 2_766 2_766 2_766
C(54) C(55) C(58) C(53) -0.2(8) 2_766 2_766 2_766
C(54) C(55) C(58) C(57) -180.0(13) 2_766 2_766 2_766
C(55) C(55) C(56) C(53) -176(2) 2_766 . 2_766
C(55) C(55) C(56) C(57) 0.4(14) 2_766 . .
C(55) C(55) C(56) C(54) -174(3) 2_766 . 2_766
C(56) C(55) C(55) C(54) -177(2) . 2_766 .
C(56) C(55) C(55) C(54) 2.5(16) . 2_766 2_766
C(56) C(55) C(55) C(58) -176(3) . 2_766 .
C(55) C(55) C(56) C(53) -4(2) 2_766 2_766 .
C(55) C(55) C(56) C(57) 179.6(13) 2_766 2_766 2_766
C(55) C(55) C(56) C(54) -11(7) 2_766 2_766 .
C(56) C(55) C(55) C(54) 2.5(16) 2_766 2_766 .
C(56) C(55) C(55) C(54) -177(2) 2_766 2_766 2_766
C(56) C(55) C(55) C(58) 4(3) 2_766 2_766 .
C(55) C(55) C(58) C(53) 1(2) 2_766 2_766 2_766
C(55) C(55) C(58) C(57) -179(2) 2_766 2_766 2_766
C(58) C(55) C(55) C(54) 178(2) 2_766 2_766 .
C(58) C(55) C(55) C(54) -2(2) 2_766 2_766 2_766
C(58) C(55) C(55) C(56) 176(3) 2_766 2_766 2_766
C(58) C(55) C(55) C(56) -4(3) 2_766 2_766 .
C(56) C(55) C(56) C(53) -4(3) . 2_766 .
C(56) C(55) C(56) C(57) 180(2) . 2_766 2_766
C(56) C(55) C(56) C(54) -11(8) . 2_766 .
C(56) C(55) C(56) C(53) -176(2) 2_766 . 2_766
C(56) C(55) C(56) C(57) 0(2) 2_766 . .
C(56) C(55) C(56) C(54) -174(3) 2_766 . 2_766
C(56) C(55) C(57) C(58) -2(3) . 2_766 2_766
C(57) C(55) C(56) C(53) 3(2) 2_766 . 2_766
C(57) C(55) C(56) C(57) 179.6(19) 2_766 . .
C(57) C(55) C(56) C(54) 6(4) 2_766 . 2_766
C(57) C(55) C(56) C(55) 179(2) 2_766 . 2_766
C(56) C(55) C(58) C(53) -1.5(12) . 2_766 2_766
C(56) C(55) C(58) C(57) 178.8(15) . 2_766 2_766
C(58) C(55) C(56) C(53) 1.1(9) 2_766 . 2_766
C(58) C(55) C(56) C(57) 177.8(10) 2_766 . .
C(58) C(55) C(56) C(54) 4(3) 2_766 . 2_766
C(58) C(55) C(56) C(55) 177(2) 2_766 . 2_766
C(56) C(55) C(57) C(58) 176.9(15) 2_766 2_766 2_766
C(57) C(55) C(56) C(53) 176.4(15) 2_766 2_766 .
C(57) C(55) C(56) C(55) -179.6(13) 2_766 2_766 2_766
C(57) C(55) C(56) C(54) 169(6) 2_766 2_766 .
C(56) C(55) C(58) C(53) 176(2) 2_766 2_766 2_766
C(56) C(55) C(58) C(57) -3.4(17) 2_766 2_766 2_766
C(58) C(55) C(56) C(53) 178.9(10) 2_766 2_766 .
C(58) C(55) C(56) C(55) -177(2) 2_766 2_766 2_766
C(58) C(55) C(56) C(57) 2.4(12) 2_766 2_766 2_766
C(58) C(55) C(56) C(54) 172(6) 2_766 2_766 .
C(57) C(55) C(58) C(53) 179.8(7) 2_766 2_766 2_766
C(54) C(56) C(57) C(55) 170(6) 2_766 . 2_766
C(54) C(56) C(57) C(58) 174(4) 2_766 . .
C(55) C(56) C(57) C(55) -0.3(10) . . 2_766
C(55) C(56) C(57) C(58) 3.2(18) . . .
C(55) C(56) C(57) C(58) 3.6(18) 2_766 . .
C(55) C(57) C(58) C(53) 0.3(10) 2_766 . .
C(56) C(57) C(58) C(53) -1.8(15) . . .
C(56) C(57) C(58) C(55) -2.1(10) . . 2_766
