#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/12/1521289.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_1521289
loop_
_publ_author_name
'Reinholdt, Anders'
'Vibenholt, Johan E.'
'Morsing, Thorbjørn J.'
'Schau-Magnussen, Magnus'
'Reeler, Nini E. A.'
'Bendix, Jesper'
_publ_section_title
;
 Carbide complexes as π-acceptor ligands
;
_journal_issue                   10
_journal_name_full               'Chem. Sci.'
_journal_page_first              5815
_journal_paper_doi               10.1039/C5SC02077H
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C74 H132 Au Cl4 P4 Ru2, B F4, 2(C H Cl3)'
_chemical_formula_sum            'C76 H134 Au B Cl10 F4 P4 Ru2'
_chemical_formula_weight         2012.13
_chemical_name_systematic
bis[mu-carbido(dichlorobis(tricyclohexylphosphine)ruthenium(VI)]gold(I)-tetrafluoroborate
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-26 deposited with the CCDC.
2015-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 100.779(15)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   19.988(4)
_cell_length_b                   16.619(4)
_cell_length_c                   27.233(4)
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      3.0
_cell_volume                     8887(3)
_computing_cell_refinement       'COLLECT (Nonius, 1999)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg et al.,  2003)'
_computing_molecular_graphics    'Mercury 3.0 (2011)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       'ω and φ 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  0.1295
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            283877
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.402
_exptl_absorpt_correction_T_max  0.827
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4112
_exptl_crystal_size_max          0.181
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.085
_refine_diff_density_max         2.453
_refine_diff_density_min         -1.383
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         15670
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.224
_refine_ls_R_factor_all          0.0831
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+145.5473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1614
_reflns_number_gt                13125
_reflns_number_total             15670
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc02077h2.cif
_cod_data_source_block           kcd1104
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1521279--1521290.cif.
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1521289
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
Au1 Au 0.0000 0.85740(3) 0.2500 0.03006(14) Uani 1 2 d S
Au2 Au 0.5000 0.40537(3) 0.2500 0.02489(13) Uani 1 2 d S
Ru3 Ru 0.32358(3) 0.39111(4) 0.26418(3) 0.02072(17) Uani 1 1 d .
Ru4 Ru 0.18078(4) 0.87555(4) 0.24855(3) 0.02616(18) Uani 1 1 d .
P5 P 0.33270(11) 0.45427(14) 0.34595(9) 0.0225(5) Uani 1 1 d .
Cl6 Cl 0.27442(12) 0.51200(14) 0.23099(9) 0.0317(5) Uani 1 1 d .
Cl7 Cl 0.32848(13) 0.26401(14) 0.30184(9) 0.0325(5) Uani 1 1 d .
Cl8 Cl 0.23281(12) 0.75731(14) 0.28424(9) 0.0323(5) Uani 1 1 d .
P9 P 0.28254(12) 0.32649(14) 0.18413(9) 0.0247(5) Uani 1 1 d .
P10 P 0.18030(12) 0.80968(15) 0.16906(10) 0.0288(6) Uani 1 1 d .
Cl11 Cl 0.17307(13) 1.00373(15) 0.21196(10) 0.0385(6) Uani 1 1 d .
P12 P 0.21632(13) 0.94142(15) 0.32924(10) 0.0311(6) Uani 1 1 d .
Cl13 Cl 0.3878(3) 0.1207(3) 0.44474(16) 0.1066(17) Uani 1 1 d .
Cl14 Cl 0.4449(3) 0.1568(3) 0.54716(15) 0.0979(15) Uani 1 1 d .
Cl15 Cl 0.3291(4) 0.0499(3) 0.52412(19) 0.134(2) Uani 1 1 d .
C16 C 0.3076(5) 0.7231(6) 0.1772(4) 0.033(2) Uani 1 1 d .
H16A H 0.3088 0.7159 0.2127 0.039 Uiso 1 1 calc R
H16B H 0.2833 0.6779 0.1597 0.039 Uiso 1 1 calc R
C17 C 0.3262(5) 0.2303(6) 0.1749(4) 0.031(2) Uani 1 1 d .
H17 H 0.3287 0.1995 0.2059 0.037 Uiso 1 1 calc R
C18 C 0.4195(5) 0.7993(6) 0.1923(5) 0.047(3) Uani 1 1 d .
H18A H 0.4243 0.7957 0.2283 0.057 Uiso 1 1 calc R
H18B H 0.4646 0.7999 0.1841 0.057 Uiso 1 1 calc R
C19 C 0.4242(5) 0.5728(6) 0.3212(4) 0.033(2) Uani 1 1 d .
H19A H 0.4160 0.5486 0.2883 0.039 Uiso 1 1 calc R
H19B H 0.4645 0.5483 0.3409 0.039 Uiso 1 1 calc R
C20 C 0.2700(5) 0.8022(5) 0.1596(4) 0.029(2) Uani 1 1 d .
H20 H 0.2688 0.8062 0.1235 0.035 Uiso 1 1 calc R
C21 C 0.3064(5) 0.9772(6) 0.3378(4) 0.035(2) Uani 1 1 d .
H21 H 0.3155 1.0082 0.3689 0.042 Uiso 1 1 calc R
C22 C 0.1491(5) 0.7051(6) 0.1673(4) 0.031(2) Uani 1 1 d .
H22 H 0.1856 0.6742 0.1881 0.037 Uiso 1 1 calc R
C23 C 0.3725(5) 0.6008(6) 0.3970(4) 0.030(2) Uani 1 1 d .
H23A H 0.4113 0.5774 0.4192 0.036 Uiso 1 1 calc R
H23B H 0.3324 0.5925 0.4117 0.036 Uiso 1 1 calc R
C24 C 0.1819(5) 0.2289(7) 0.2140(5) 0.048(3) Uani 1 1 d .
H24A H 0.1969 0.2452 0.2485 0.057 Uiso 1 1 calc R
H24B H 0.2095 0.1835 0.2076 0.057 Uiso 1 1 calc R
C25 C 0.3903(5) 1.0668(7) 0.3038(5) 0.044(3) Uani 1 1 d .
H25A H 0.3958 1.1013 0.2761 0.053 Uiso 1 1 calc R
H25B H 0.3994 1.0985 0.3342 0.053 Uiso 1 1 calc R
C26 C 0.4440(5) 0.7052(6) 0.3665(4) 0.039(3) Uani 1 1 d .
H26A H 0.4496 0.7626 0.3621 0.047 Uiso 1 1 calc R
H26B H 0.4850 0.6851 0.3878 0.047 Uiso 1 1 calc R
C27 C 0.3629(5) 0.5595(5) 0.3464(3) 0.026(2) Uani 1 1 d .
H27 H 0.3255 0.5889 0.3255 0.031 Uiso 1 1 calc R
C30 C 0.1354(6) 0.5353(7) 0.3561(5) 0.049(3) Uani 1 1 d .
H30A H 0.1433 0.5456 0.3918 0.059 Uiso 1 1 calc R
H30B H 0.1078 0.5787 0.3394 0.059 Uiso 1 1 calc R
C31 C 0.1252(6) 0.5774(7) 0.1180(5) 0.048(3) Uani 1 1 d .
H31A H 0.1179 0.5550 0.0846 0.058 Uiso 1 1 calc R
H31B H 0.1643 0.5507 0.1377 0.058 Uiso 1 1 calc R
F32 F 0.2553(5) 0.7271(7) -0.0364(3) 0.107(4) Uani 1 1 d .
C33 C 0.2036(5) 0.5329(7) 0.3384(5) 0.044(3) Uani 1 1 d .
H33A H 0.2277 0.5831 0.3469 0.053 Uiso 1 1 calc R
H33B H 0.1957 0.5267 0.3024 0.053 Uiso 1 1 calc R
C34 C 0.2094(6) 0.3828(7) 0.3530(6) 0.055(4) Uani 1 1 d .
H34A H 0.2366 0.3397 0.3705 0.066 Uiso 1 1 calc R
H34B H 0.2016 0.3712 0.3175 0.066 Uiso 1 1 calc R
C35 C 0.0853(5) 0.6902(6) 0.1902(5) 0.040(3) Uani 1 1 d .
H35A H 0.0920 0.7131 0.2235 0.048 Uiso 1 1 calc R
H35B H 0.0463 0.7164 0.1699 0.048 Uiso 1 1 calc R
C36 C 0.0716(5) 0.6004(6) 0.1928(5) 0.045(3) Uani 1 1 d .
H36A H 0.0304 0.5919 0.2061 0.054 Uiso 1 1 calc R
H36B H 0.1091 0.5749 0.2153 0.054 Uiso 1 1 calc R
C37 C 0.4311(5) 0.9422(6) 0.3496(5) 0.043(3) Uani 1 1 d .
H37A H 0.4415 0.9716 0.3808 0.052 Uiso 1 1 calc R
H37B H 0.4631 0.8979 0.3515 0.052 Uiso 1 1 calc R
C38 C 0.2812(5) 0.3960(6) 0.1315(4) 0.033(2) Uani 1 1 d .
H38 H 0.2477 0.4372 0.1359 0.040 Uiso 1 1 calc R
C39 C 0.3582(5) 0.9076(6) 0.3436(4) 0.039(3) Uani 1 1 d .
H39A H 0.3489 0.8730 0.3144 0.047 Uiso 1 1 calc R
H39B H 0.3541 0.8756 0.3727 0.047 Uiso 1 1 calc R
C40 C 0.2471(4) 0.4622(6) 0.3634(4) 0.028(2) Uani 1 1 d .
H40 H 0.2545 0.4712 0.3996 0.034 Uiso 1 1 calc R
C41 C 0.1402(6) 0.6678(6) 0.1154(4) 0.042(3) Uani 1 1 d .
H41A H 0.1814 0.6756 0.1020 0.051 Uiso 1 1 calc R
H41B H 0.1030 0.6941 0.0933 0.051 Uiso 1 1 calc R
C42 C 0.4983(5) 0.3302(8) 0.4286(4) 0.046(3) Uani 1 1 d .
H42A H 0.4804 0.2766 0.4201 0.056 Uiso 1 1 calc R
H42B H 0.5461 0.3304 0.4261 0.056 Uiso 1 1 calc R
C43 C 0.3843(5) 0.6910(6) 0.3913(4) 0.034(2) Uani 1 1 d .
H43A H 0.3439 0.7152 0.3715 0.040 Uiso 1 1 calc R
H43B H 0.3925 0.7163 0.4240 0.040 Uiso 1 1 calc R
C45 C 0.1668(5) 1.0334(6) 0.3348(4) 0.034(2) Uani 1 1 d .
H45 H 0.1626 1.0606 0.3024 0.040 Uiso 1 1 calc R
C46 C 0.4004(6) 0.2451(7) 0.1687(5) 0.049(3) Uani 1 1 d .
H46A H 0.4239 0.2769 0.1965 0.059 Uiso 1 1 calc R
H46B H 0.4007 0.2752 0.1382 0.059 Uiso 1 1 calc R
C47 C 0.2901(6) 0.1773(7) 0.1330(5) 0.051(3) Uani 1 1 d .
H47A H 0.2871 0.2050 0.1013 0.061 Uiso 1 1 calc R
H47B H 0.2442 0.1663 0.1380 0.061 Uiso 1 1 calc R
C48 C 0.4346(5) 0.6645(6) 0.3172(4) 0.038(2) Uani 1 1 d .
H48A H 0.4743 0.6744 0.3022 0.046 Uiso 1 1 calc R
H48B H 0.3954 0.6875 0.2953 0.046 Uiso 1 1 calc R
C49 C 0.1922(5) 0.2969(6) 0.1803(4) 0.034(2) Uani 1 1 d .
H49 H 0.1751 0.2792 0.1459 0.041 Uiso 1 1 calc R
C50 C 0.4407(6) 0.9967(7) 0.3078(5) 0.047(3) Uani 1 1 d .
H50A H 0.4334 0.9669 0.2766 0.056 Uiso 1 1 calc R
H50B H 0.4869 1.0173 0.3139 0.056 Uiso 1 1 calc R
C51 C 0.3847(5) 0.3939(6) 0.3959(3) 0.029(2) Uani 1 1 d .
H51 H 0.3684 0.3385 0.3899 0.035 Uiso 1 1 calc R
C52 C 0.4912(6) 0.3504(8) 0.4820(4) 0.051(3) Uani 1 1 d .
H52A H 0.5147 0.3101 0.5046 0.062 Uiso 1 1 calc R
H52B H 0.5122 0.4022 0.4913 0.062 Uiso 1 1 calc R
C53 C 0.0636(5) 0.5614(7) 0.1408(5) 0.051(3) Uani 1 1 d .
H53A H 0.0575 0.5039 0.1436 0.062 Uiso 1 1 calc R
H53B H 0.0235 0.5830 0.1192 0.062 Uiso 1 1 calc R
C54 C 0.3166(5) 1.0347(6) 0.2955(4) 0.040(3) Uani 1 1 d .
H54A H 0.2852 1.0795 0.2940 0.048 Uiso 1 1 calc R
H54B H 0.3065 1.0065 0.2638 0.048 Uiso 1 1 calc R
C55 C 0.3997(7) 0.1117(7) 0.1249(4) 0.054(3) Uani 1 1 d .
H55A H 0.3995 0.1374 0.0929 0.064 Uiso 1 1 calc R
H55B H 0.4227 0.0602 0.1249 0.064 Uiso 1 1 calc R
C56 C 0.1073(6) 0.2034(7) 0.2060(5) 0.053(3) Uani 1 1 d .
H56A H 0.0925 0.1851 0.1718 0.063 Uiso 1 1 calc R
H56B H 0.1021 0.1591 0.2282 0.063 Uiso 1 1 calc R
C57 C 0.4173(6) 0.3531(7) 0.4863(4) 0.045(3) Uani 1 1 d .
H57A H 0.4138 0.3686 0.5201 0.054 Uiso 1 1 calc R
H57B H 0.3977 0.2999 0.4802 0.054 Uiso 1 1 calc R
C58 C 0.1348(5) 0.8605(6) 0.1116(4) 0.038(2) Uani 1 1 d .
H58 H 0.1285 0.8199 0.0849 0.045 Uiso 1 1 calc R
C59 C 0.1604(8) 0.7568(8) 0.4185(5) 0.065(4) Uani 1 1 d .
H59A H 0.1180 0.7277 0.4174 0.078 Uiso 1 1 calc R
H59B H 0.1943 0.7191 0.4114 0.078 Uiso 1 1 calc R
C60 C 0.0647(6) 0.2720(8) 0.2160(7) 0.079(5) Uani 1 1 d .
H60A H 0.0173 0.2556 0.2100 0.095 Uiso 1 1 calc R
H60B H 0.0774 0.2875 0.2509 0.095 Uiso 1 1 calc R
C61 C 0.0940(6) 1.0147(7) 0.3406(6) 0.054(3) Uani 1 1 d .
H61A H 0.0740 0.9769 0.3149 0.065 Uiso 1 1 calc R
H61B H 0.0948 0.9895 0.3729 0.065 Uiso 1 1 calc R
C62 C 0.4379(7) 0.1641(7) 0.1665(5) 0.057(3) Uani 1 1 d .
H62A H 0.4837 0.1740 0.1608 0.068 Uiso 1 1 calc R
H62B H 0.4415 0.1364 0.1983 0.068 Uiso 1 1 calc R
C63 C 0.0668(7) 0.9997(9) 0.0578(5) 0.068(4) Uani 1 1 d .
H63A H 0.0746 1.0383 0.0850 0.082 Uiso 1 1 calc R
H63B H 0.0416 1.0264 0.0284 0.082 Uiso 1 1 calc R
C64 C 0.3098(5) 0.8753(6) 0.1838(4) 0.034(2) Uani 1 1 d .
H64A H 0.2867 0.9242 0.1705 0.041 Uiso 1 1 calc R
H64B H 0.3111 0.8742 0.2195 0.041 Uiso 1 1 calc R
C65 C 0.2149(6) 0.8712(6) 0.3812(4) 0.039(2) Uani 1 1 d .
H65 H 0.2494 0.8308 0.3778 0.047 Uiso 1 1 calc R
C66 C 0.3286(7) 0.0986(7) 0.1319(5) 0.060(4) Uani 1 1 d .
H66A H 0.3292 0.0699 0.1630 0.072 Uiso 1 1 calc R
H66B H 0.3050 0.0654 0.1049 0.072 Uiso 1 1 calc R
C67 C 0.3820(5) 0.8756(6) 0.1738(4) 0.039(2) Uani 1 1 d .
H67A H 0.3808 0.8811 0.1381 0.047 Uiso 1 1 calc R
H67B H 0.4064 0.9215 0.1903 0.047 Uiso 1 1 calc R
C68 C 0.0821(7) 1.1506(8) 0.3761(6) 0.062(4) Uani 1 1 d .
H68A H 0.0827 1.1285 0.4092 0.074 Uiso 1 1 calc R
H68B H 0.0550 1.1993 0.3728 0.074 Uiso 1 1 calc R
C69 C 0.2479(8) 0.8420(8) 0.4727(5) 0.063(4) Uani 1 1 d .
H69A H 0.2601 0.8668 0.5054 0.076 Uiso 1 1 calc R
H69B H 0.2850 0.8069 0.4681 0.076 Uiso 1 1 calc R
C70 C 0.3488(6) 0.4430(7) 0.1333(5) 0.055(3) Uani 1 1 d .
H70A H 0.3634 0.4661 0.1663 0.066 Uiso 1 1 calc R
H70B H 0.3840 0.4065 0.1268 0.066 Uiso 1 1 calc R
C71 C 0.1981(6) 1.0955(7) 0.3735(5) 0.055(3) Uani 1 1 d .
H71A H 0.2021 1.0726 0.4067 0.066 Uiso 1 1 calc R
H71B H 0.2434 1.1091 0.3683 0.066 Uiso 1 1 calc R
C72 C 0.0504(6) 1.0900(7) 0.3368(6) 0.056(3) Uani 1 1 d .
H72A H 0.0049 1.0762 0.3416 0.067 Uiso 1 1 calc R
H72B H 0.0467 1.1134 0.3037 0.067 Uiso 1 1 calc R
C73 C 0.3790(5) 0.7253(7) 0.1673(5) 0.046(3) Uani 1 1 d .
H73A H 0.3775 0.7272 0.1315 0.055 Uiso 1 1 calc R
H73B H 0.4025 0.6764 0.1800 0.055 Uiso 1 1 calc R
C74 C 0.4594(5) 0.3917(7) 0.3913(4) 0.041(3) Uani 1 1 d .
H74A H 0.4794 0.4446 0.3981 0.049 Uiso 1 1 calc R
H74B H 0.4632 0.3768 0.3575 0.049 Uiso 1 1 calc R
C75 C 0.1500(6) 0.8236(7) 0.3790(4) 0.047(3) Uani 1 1 d .
H75A H 0.1365 0.8000 0.3460 0.056 Uiso 1 1 calc R
H75B H 0.1137 0.8592 0.3847 0.056 Uiso 1 1 calc R
C76 C 0.2384(7) 0.9066(7) 0.4330(4) 0.050(3) Uani 1 1 d .
H76A H 0.2811 0.9349 0.4340 0.060 Uiso 1 1 calc R
H76B H 0.2049 0.9452 0.4399 0.060 Uiso 1 1 calc R
C77 C 0.3764(6) 0.4133(6) 0.4490(4) 0.041(3) Uani 1 1 d .
H77A H 0.3286 0.4105 0.4512 0.049 Uiso 1 1 calc R
H77B H 0.3922 0.4675 0.4575 0.049 Uiso 1 1 calc R
C78 C 0.0627(6) 0.8865(8) 0.1183(4) 0.047(3) Uani 1 1 d .
H78A H 0.0369 0.8394 0.1247 0.056 Uiso 1 1 calc R
H78B H 0.0664 0.9220 0.1469 0.056 Uiso 1 1 calc R
C79 C 0.0985(6) 0.4576(8) 0.3452(7) 0.076(5) Uani 1 1 d .
H79A H 0.0887 0.4487 0.3093 0.091 Uiso 1 1 calc R
H79B H 0.0556 0.4601 0.3568 0.091 Uiso 1 1 calc R
C80 C 0.1554(6) 1.1707(8) 0.3701(5) 0.058(4) Uani 1 1 d .
H80A H 0.1545 1.1963 0.3379 0.070 Uiso 1 1 calc R
H80B H 0.1756 1.2082 0.3960 0.070 Uiso 1 1 calc R
C81 C 0.1484(6) 0.3684(8) 0.1903(7) 0.081(5) Uani 1 1 d .
H81A H 0.1518 0.4113 0.1668 0.097 Uiso 1 1 calc R
H81B H 0.1644 0.3887 0.2238 0.097 Uiso 1 1 calc R
C82 C 0.1757(6) 0.9301(7) 0.0939(4) 0.049(3) Uani 1 1 d .
H82A H 0.1867 0.9696 0.1204 0.059 Uiso 1 1 calc R
H82B H 0.2181 0.9094 0.0864 0.059 Uiso 1 1 calc R
F83 F 0.1696(9) 0.7590(9) 0.0011(5) 0.175(7) Uani 1 1 d .
C84 C 0.3111(10) 0.4779(10) 0.0425(6) 0.091(6) Uani 1 1 d .
H84A H 0.3448 0.4427 0.0324 0.110 Uiso 1 1 calc R
H84B H 0.3031 0.5222 0.0189 0.110 Uiso 1 1 calc R
C85 C 0.1348(8) 0.9702(9) 0.0473(5) 0.067(4) Uani 1 1 d .
H85A H 0.1603 1.0153 0.0376 0.080 Uiso 1 1 calc R
H85B H 0.1271 0.9320 0.0199 0.080 Uiso 1 1 calc R
C86 C 0.2440(10) 0.4308(9) 0.0410(5) 0.085(5) Uani 1 1 d .
H86A H 0.2090 0.4668 0.0483 0.102 Uiso 1 1 calc R
H86B H 0.2287 0.4084 0.0079 0.102 Uiso 1 1 calc R
C87 C 0.0252(7) 0.9296(9) 0.0718(5) 0.064(4) Uani 1 1 d .
H87A H 0.0162 0.8919 0.0442 0.077 Uiso 1 1 calc R
H87B H -0.0181 0.9493 0.0779 0.077 Uiso 1 1 calc R
C88 C 0.2561(9) 0.3627(8) 0.0798(4) 0.069(4) Uani 1 1 d .
H88A H 0.2139 0.3335 0.0793 0.083 Uiso 1 1 calc R
H88B H 0.2894 0.3253 0.0713 0.083 Uiso 1 1 calc R
F89 F 0.2685(8) 0.7299(11) 0.0463(4) 0.176(7) Uani 1 1 d .
F90 F 0.2086(9) 0.6376(8) 0.0076(5) 0.170(6) Uani 1 1 d .
C91 C 0.3383(8) 0.5102(9) 0.0940(5) 0.067(4) Uani 1 1 d .
H91A H 0.3066 0.5496 0.1027 0.080 Uiso 1 1 calc R
H91B H 0.3814 0.5371 0.0940 0.080 Uiso 1 1 calc R
C92 C 0.1409(7) 0.3878(8) 0.3707(8) 0.098(7) Uani 1 1 d .
H92A H 0.1161 0.3379 0.3629 0.118 Uiso 1 1 calc R
H92B H 0.1489 0.3953 0.4066 0.118 Uiso 1 1 calc R
C94 C 0.3708(10) 0.1336(10) 0.5042(6) 0.087(5) Uani 1 1 d .
H94 H 0.3400 0.1797 0.5030 0.104 Uiso 1 1 calc R
B95 B 0.2234(12) 0.7149(13) 0.0043(6) 0.080(6) Uani 1 1 d .
C96 C 0.1836(9) 0.7924(8) 0.4706(5) 0.072(4) Uani 1 1 d .
H96A H 0.1477 0.8261 0.4790 0.086 Uiso 1 1 calc R
H96B H 0.1922 0.7492 0.4950 0.086 Uiso 1 1 calc R
C97 C 0.0726(7) 0.3403(11) 0.1846(10) 0.129(10) Uani 1 1 d .
H97A H 0.0453 0.3846 0.1932 0.155 Uiso 1 1 calc R
H97B H 0.0555 0.3262 0.1500 0.155 Uiso 1 1 calc R
C98 C 0.0982(5) 0.8616(6) 0.2507(4) 0.031(2) Uani 1 1 d .
C99 C 0.4039(5) 0.4019(6) 0.2580(4) 0.029(2) Uani 1 1 d .
Cl102 Cl 0.0431(6) 0.2329(7) 0.0526(4) 0.225(5) Uani 1 1 d .
Cl101 Cl -0.0016(8) 0.4033(7) 0.0561(5) 0.284(7) Uani 1 1 d .
Cl103 Cl 0.0336(5) 0.3409(11) -0.0282(3) 0.340(10) Uani 1 1 d .
C100 C -0.011(2) 0.320(2) 0.0167(7) 0.211(17) Uani 1 1 d .
H100 H -0.0581 0.3053 0.0038 0.253 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Au Au -2.0133 8.8022 '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
C98 Au1 C98 175.9(5) 2 .
C99 Au2 C99 176.6(6) . 2_655
C99 Ru3 Cl7 100.4(3) . .
C99 Ru3 Cl6 102.3(3) . .
Cl7 Ru3 Cl6 157.32(9) . .
C99 Ru3 P9 97.3(3) . .
Cl7 Ru3 P9 88.50(9) . .
Cl6 Ru3 P9 89.19(9) . .
C99 Ru3 P5 98.0(3) . .
Cl7 Ru3 P5 89.91(8) . .
Cl6 Ru3 P5 86.41(8) . .
P9 Ru3 P5 164.68(8) . .
C98 Ru4 Cl11 98.8(3) . .
C98 Ru4 Cl8 103.4(3) . .
Cl11 Ru4 Cl8 157.73(10) . .
C98 Ru4 P10 97.4(3) . .
Cl11 Ru4 P10 92.40(9) . .
Cl8 Ru4 P10 85.37(9) . .
C98 Ru4 P12 98.8(3) . .
Cl11 Ru4 P12 87.71(9) . .
Cl8 Ru4 P12 88.32(9) . .
P10 Ru4 P12 163.56(9) . .
C51 P5 C27 111.8(4) . .
C51 P5 C40 105.6(4) . .
C27 P5 C40 104.2(4) . .
C51 P5 Ru3 112.0(3) . .
C27 P5 Ru3 112.5(3) . .
C40 P5 Ru3 110.4(3) . .
C38 P9 C49 104.5(5) . .
C38 P9 C17 112.0(5) . .
C49 P9 C17 104.0(5) . .
C38 P9 Ru3 112.0(3) . .
C49 P9 Ru3 109.2(3) . .
C17 P9 Ru3 114.3(3) . .
C22 P10 C58 107.2(5) . .
C22 P10 C20 105.3(4) . .
C58 P10 C20 104.2(5) . .
C22 P10 Ru4 113.1(3) . .
C58 P10 Ru4 117.8(4) . .
C20 P10 Ru4 108.1(3) . .
C65 P12 C45 112.2(5) . .
C65 P12 C21 105.1(5) . .
C45 P12 C21 104.2(5) . .
C65 P12 Ru4 111.4(4) . .
C45 P12 Ru4 112.1(3) . .
C21 P12 Ru4 111.5(4) . .
C73 C16 C20 110.3(8) . .
C73 C16 H16A 109.6 . .
C20 C16 H16A 109.6 . .
C73 C16 H16B 109.6 . .
C20 C16 H16B 109.6 . .
H16A C16 H16B 108.1 . .
C47 C17 C46 110.0(9) . .
C47 C17 P9 115.6(8) . .
C46 C17 P9 111.3(7) . .
C47 C17 H17 106.5 . .
C46 C17 H17 106.5 . .
P9 C17 H17 106.5 . .
C67 C18 C73 109.5(9) . .
C67 C18 H18A 109.8 . .
C73 C18 H18A 109.8 . .
C67 C18 H18B 109.8 . .
C73 C18 H18B 109.8 . .
H18A C18 H18B 108.2 . .
C27 C19 C48 107.8(8) . .
C27 C19 H19A 110.2 . .
C48 C19 H19A 110.2 . .
C27 C19 H19B 110.2 . .
C48 C19 H19B 110.2 . .
H19A C19 H19B 108.5 . .
C64 C20 C16 111.0(8) . .
C64 C20 P10 108.8(6) . .
C16 C20 P10 116.0(7) . .
C64 C20 H20 106.9 . .
C16 C20 H20 106.9 . .
P10 C20 H20 106.9 . .
C54 C21 C39 111.3(9) . .
C54 C21 P12 111.4(7) . .
C39 C21 P12 112.7(7) . .
C54 C21 H21 107.0 . .
C39 C21 H21 107.0 . .
P12 C21 H21 107.0 . .
C41 C22 C35 110.4(8) . .
C41 C22 P10 112.8(7) . .
C35 C22 P10 116.3(7) . .
C41 C22 H22 105.4 . .
C35 C22 H22 105.4 . .
P10 C22 H22 105.4 . .
C27 C23 C43 110.3(8) . .
C27 C23 H23A 109.6 . .
C43 C23 H23A 109.6 . .
C27 C23 H23B 109.6 . .
C43 C23 H23B 109.6 . .
H23A C23 H23B 108.1 . .
C49 C24 C56 111.5(10) . .
C49 C24 H24A 109.3 . .
C56 C24 H24A 109.3 . .
C49 C24 H24B 109.3 . .
C56 C24 H24B 109.3 . .
H24A C24 H24B 108.0 . .
C50 C25 C54 110.2(9) . .
C50 C25 H25A 109.6 . .
C54 C25 H25A 109.6 . .
C50 C25 H25B 109.6 . .
C54 C25 H25B 109.6 . .
H25A C25 H25B 108.1 . .
C48 C26 C43 111.1(8) . .
C48 C26 H26A 109.4 . .
C43 C26 H26A 109.4 . .
C48 C26 H26B 109.4 . .
C43 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
C23 C27 C19 111.4(8) . .
C23 C27 P5 114.8(7) . .
C19 C27 P5 115.0(6) . .
C23 C27 H27 104.8 . .
C19 C27 H27 104.8 . .
P5 C27 H27 104.8 . .
C79 C30 C33 110.6(10) . .
C79 C30 H30A 109.5 . .
C33 C30 H30A 109.5 . .
C79 C30 H30B 109.5 . .
C33 C30 H30B 109.5 . .
H30A C30 H30B 108.1 . .
C53 C31 C41 112.0(10) . .
C53 C31 H31A 109.2 . .
C41 C31 H31A 109.2 . .
C53 C31 H31B 109.2 . .
C41 C31 H31B 109.2 . .
H31A C31 H31B 107.9 . .
C30 C33 C40 110.1(9) . .
C30 C33 H33A 109.6 . .
C40 C33 H33A 109.6 . .
C30 C33 H33B 109.6 . .
C40 C33 H33B 109.6 . .
H33A C33 H33B 108.2 . .
C40 C34 C92 109.6(10) . .
C40 C34 H34A 109.7 . .
C92 C34 H34A 109.7 . .
C40 C34 H34B 109.7 . .
C92 C34 H34B 109.7 . .
H34A C34 H34B 108.2 . .
C36 C35 C22 110.3(9) . .
C36 C35 H35A 109.6 . .
C22 C35 H35A 109.6 . .
C36 C35 H35B 109.6 . .
C22 C35 H35B 109.6 . .
H35A C35 H35B 108.1 . .
C35 C36 C53 111.0(10) . .
C35 C36 H36A 109.4 . .
C53 C36 H36A 109.4 . .
C35 C36 H36B 109.4 . .
C53 C36 H36B 109.4 . .
H36A C36 H36B 108.0 . .
C50 C37 C39 113.4(9) . .
C50 C37 H37A 108.9 . .
C39 C37 H37A 108.9 . .
C50 C37 H37B 108.9 . .
C39 C37 H37B 108.9 . .
H37A C37 H37B 107.7 . .
C88 C38 C70 110.5(10) . .
C88 C38 P9 116.7(8) . .
C70 C38 P9 114.0(7) . .
C88 C38 H38 104.8 . .
C70 C38 H38 104.8 . .
P9 C38 H38 104.8 . .
C21 C39 C37 109.5(8) . .
C21 C39 H39A 109.8 . .
C37 C39 H39A 109.8 . .
C21 C39 H39B 109.8 . .
C37 C39 H39B 109.8 . .
H39A C39 H39B 108.2 . .
C34 C40 C33 111.1(9) . .
C34 C40 P5 109.8(7) . .
C33 C40 P5 114.2(7) . .
C34 C40 H40 107.1 . .
C33 C40 H40 107.1 . .
P5 C40 H40 107.1 . .
C22 C41 C31 110.2(9) . .
C22 C41 H41A 109.6 . .
C31 C41 H41A 109.6 . .
C22 C41 H41B 109.6 . .
C31 C41 H41B 109.6 . .
H41A C41 H41B 108.1 . .
C52 C42 C74 110.9(9) . .
C52 C42 H42A 109.5 . .
C74 C42 H42A 109.5 . .
C52 C42 H42B 109.5 . .
C74 C42 H42B 109.5 . .
H42A C42 H42B 108.1 . .
C26 C43 C23 110.6(8) . .
C26 C43 H43A 109.5 . .
C23 C43 H43A 109.5 . .
C26 C43 H43B 109.5 . .
C23 C43 H43B 109.5 . .
H43A C43 H43B 108.1 . .
C71 C45 C61 110.0(10) . .
C71 C45 P12 117.5(7) . .
C61 C45 P12 112.1(7) . .
C71 C45 H45 105.4 . .
C61 C45 H45 105.4 . .
P12 C45 H45 105.4 . .
C17 C46 C62 110.3(10) . .
C17 C46 H46A 109.6 . .
C62 C46 H46A 109.6 . .
C17 C46 H46B 109.6 . .
C62 C46 H46B 109.6 . .
H46A C46 H46B 108.1 . .
C17 C47 C66 110.1(10) . .
C17 C47 H47A 109.6 . .
C66 C47 H47A 109.6 . .
C17 C47 H47B 109.6 . .
C66 C47 H47B 109.6 . .
H47A C47 H47B 108.2 . .
C26 C48 C19 112.3(9) . .
C26 C48 H48A 109.1 . .
C19 C48 H48A 109.1 . .
C26 C48 H48B 109.1 . .
C19 C48 H48B 109.1 . .
H48A C48 H48B 107.9 . .
C24 C49 C81 109.2(10) . .
C24 C49 P9 114.2(7) . .
C81 C49 P9 111.6(7) . .
C24 C49 H49 107.2 . .
C81 C49 H49 107.2 . .
P9 C49 H49 107.2 . .
C37 C50 C25 109.8(10) . .
C37 C50 H50A 109.7 . .
C25 C50 H50A 109.7 . .
C37 C50 H50B 109.7 . .
C25 C50 H50B 109.7 . .
H50A C50 H50B 108.2 . .
C74 C51 C77 111.5(8) . .
C74 C51 P5 112.3(7) . .
C77 C51 P5 116.0(7) . .
C74 C51 H51 105.3 . .
C77 C51 H51 105.3 . .
P5 C51 H51 105.3 . .
C57 C52 C42 110.5(9) . .
C57 C52 H52A 109.6 . .
C42 C52 H52A 109.6 . .
C57 C52 H52B 109.6 . .
C42 C52 H52B 109.6 . .
H52A C52 H52B 108.1 . .
C31 C53 C36 110.7(9) . .
C31 C53 H53A 109.5 . .
C36 C53 H53A 109.5 . .
C31 C53 H53B 109.5 . .
C36 C53 H53B 109.5 . .
H53A C53 H53B 108.1 . .
C21 C54 C25 111.2(9) . .
C21 C54 H54A 109.4 . .
C25 C54 H54A 109.4 . .
C21 C54 H54B 109.4 . .
C25 C54 H54B 109.4 . .
H54A C54 H54B 108.0 . .
C66 C55 C62 110.4(10) . .
C66 C55 H55A 109.6 . .
C62 C55 H55A 109.6 . .
C66 C55 H55B 109.6 . .
C62 C55 H55B 109.6 . .
H55A C55 H55B 108.1 . .
C60 C56 C24 109.9(10) . .
C60 C56 H56A 109.7 . .
C24 C56 H56A 109.7 . .
C60 C56 H56B 109.7 . .
C24 C56 H56B 109.7 . .
H56A C56 H56B 108.2 . .
C52 C57 C77 111.9(9) . .
C52 C57 H57A 109.2 . .
C77 C57 H57A 109.2 . .
C52 C57 H57B 109.2 . .
C77 C57 H57B 109.2 . .
H57A C57 H57B 107.9 . .
C82 C58 C78 112.7(9) . .
C82 C58 P10 113.5(7) . .
C78 C58 P10 110.3(7) . .
C82 C58 H58 106.6 . .
C78 C58 H58 106.6 . .
P10 C58 H58 106.6 . .
C96 C59 C75 110.5(10) . .
C96 C59 H59A 109.6 . .
C75 C59 H59A 109.6 . .
C96 C59 H59B 109.6 . .
C75 C59 H59B 109.6 . .
H59A C59 H59B 108.1 . .
C97 C60 C56 111.4(14) . .
C97 C60 H60A 109.3 . .
C56 C60 H60A 109.3 . .
C97 C60 H60B 109.3 . .
C56 C60 H60B 109.3 . .
H60A C60 H60B 108.0 . .
C72 C61 C45 111.8(9) . .
C72 C61 H61A 109.3 . .
C45 C61 H61A 109.3 . .
C72 C61 H61B 109.3 . .
C45 C61 H61B 109.3 . .
H61A C61 H61B 107.9 . .
C55 C62 C46 110.4(10) . .
C55 C62 H62A 109.6 . .
C46 C62 H62A 109.6 . .
C55 C62 H62B 109.6 . .
C46 C62 H62B 109.6 . .
H62A C62 H62B 108.1 . .
C87 C63 C85 110.5(11) . .
C87 C63 H63A 109.6 . .
C85 C63 H63A 109.6 . .
C87 C63 H63B 109.6 . .
C85 C63 H63B 109.6 . .
H63A C63 H63B 108.1 . .
C67 C64 C20 111.1(8) . .
C67 C64 H64A 109.4 . .
C20 C64 H64A 109.4 . .
C67 C64 H64B 109.4 . .
C20 C64 H64B 109.4 . .
H64A C64 H64B 108.0 . .
C75 C65 C76 110.7(10) . .
C75 C65 P12 116.0(8) . .
C76 C65 P12 115.0(8) . .
C75 C65 H65 104.5 . .
C76 C65 H65 104.5 . .
P12 C65 H65 104.5 . .
C55 C66 C47 112.2(10) . .
C55 C66 H66A 109.2 . .
C47 C66 H66A 109.2 . .
C55 C66 H66B 109.2 . .
C47 C66 H66B 109.2 . .
H66A C66 H66B 107.9 . .
C18 C67 C64 111.4(9) . .
C18 C67 H67A 109.3 . .
C64 C67 H67A 109.3 . .
C18 C67 H67B 109.3 . .
C64 C67 H67B 109.3 . .
H67A C67 H67B 108.0 . .
C72 C68 C80 110.3(11) . .
C72 C68 H68A 109.6 . .
C80 C68 H68A 109.6 . .
C72 C68 H68B 109.6 . .
C80 C68 H68B 109.6 . .
H68A C68 H68B 108.1 . .
C76 C69 C96 111.5(11) . .
C76 C69 H69A 109.3 . .
C96 C69 H69A 109.3 . .
C76 C69 H69B 109.3 . .
C96 C69 H69B 109.3 . .
H69A C69 H69B 108.0 . .
C91 C70 C38 109.9(10) . .
C91 C70 H70A 109.7 . .
C38 C70 H70A 109.7 . .
C91 C70 H70B 109.7 . .
C38 C70 H70B 109.7 . .
H70A C70 H70B 108.2 . .
C80 C71 C45 111.4(9) . .
C80 C71 H71A 109.3 . .
C45 C71 H71A 109.3 . .
C80 C71 H71B 109.3 . .
C45 C71 H71B 109.3 . .
H71A C71 H71B 108.0 . .
C61 C72 C68 109.8(10) . .
C61 C72 H72A 109.7 . .
C68 C72 H72A 109.7 . .
C61 C72 H72B 109.7 . .
C68 C72 H72B 109.7 . .
H72A C72 H72B 108.2 . .
C16 C73 C18 112.0(9) . .
C16 C73 H73A 109.2 . .
C18 C73 H73A 109.2 . .
C16 C73 H73B 109.2 . .
C18 C73 H73B 109.2 . .
H73A C73 H73B 107.9 . .
C51 C74 C42 110.1(9) . .
C51 C74 H74A 109.7 . .
C42 C74 H74A 109.7 . .
C51 C74 H74B 109.7 . .
C42 C74 H74B 109.7 . .
H74A C74 H74B 108.2 . .
C65 C75 C59 110.4(10) . .
C65 C75 H75A 109.6 . .
C59 C75 H75A 109.6 . .
C65 C75 H75B 109.6 . .
C59 C75 H75B 109.6 . .
H75A C75 H75B 108.1 . .
C69 C76 C65 111.4(10) . .
C69 C76 H76A 109.3 . .
C65 C76 H76A 109.3 . .
C69 C76 H76B 109.3 . .
C65 C76 H76B 109.3 . .
H76A C76 H76B 108.0 . .
C51 C77 C57 110.5(8) . .
C51 C77 H77A 109.5 . .
C57 C77 H77A 109.5 . .
C51 C77 H77B 109.5 . .
C57 C77 H77B 109.5 . .
H77A C77 H77B 108.1 . .
C87 C78 C58 110.9(10) . .
C87 C78 H78A 109.5 . .
C58 C78 H78A 109.5 . .
C87 C78 H78B 109.5 . .
C58 C78 H78B 109.5 . .
H78A C78 H78B 108.1 . .
C30 C79 C92 110.9(12) . .
C30 C79 H79A 109.5 . .
C92 C79 H79A 109.5 . .
C30 C79 H79B 109.5 . .
C92 C79 H79B 109.5 . .
H79A C79 H79B 108.1 . .
C71 C80 C68 110.6(11) . .
C71 C80 H80A 109.5 . .
C68 C80 H80A 109.5 . .
C71 C80 H80B 109.5 . .
C68 C80 H80B 109.5 . .
H80A C80 H80B 108.1 . .
C49 C81 C97 109.1(11) . .
C49 C81 H81A 109.9 . .
C97 C81 H81A 109.9 . .
C49 C81 H81B 109.9 . .
C97 C81 H81B 109.9 . .
H81A C81 H81B 108.3 . .
C85 C82 C58 110.7(10) . .
C85 C82 H82A 109.5 . .
C58 C82 H82A 109.5 . .
C85 C82 H82B 109.5 . .
C58 C82 H82B 109.5 . .
H82A C82 H82B 108.1 . .
C91 C84 C86 111.4(11) . .
C91 C84 H84A 109.3 . .
C86 C84 H84A 109.3 . .
C91 C84 H84B 109.3 . .
C86 C84 H84B 109.3 . .
H84A C84 H84B 108.0 . .
C63 C85 C82 110.0(11) . .
C63 C85 H85A 109.7 . .
C82 C85 H85A 109.7 . .
C63 C85 H85B 109.7 . .
C82 C85 H85B 109.7 . .
H85A C85 H85B 108.2 . .
C88 C86 C84 109.3(13) . .
C88 C86 H86A 109.8 . .
C84 C86 H86A 109.8 . .
C88 C86 H86B 109.8 . .
C84 C86 H86B 109.8 . .
H86A C86 H86B 108.3 . .
C63 C87 C78 111.2(11) . .
C63 C87 H87A 109.4 . .
C78 C87 H87A 109.4 . .
C63 C87 H87B 109.4 . .
C78 C87 H87B 109.4 . .
H87A C87 H87B 108.0 . .
C38 C88 C86 110.7(11) . .
C38 C88 H88A 109.5 . .
C86 C88 H88A 109.5 . .
C38 C88 H88B 109.5 . .
C86 C88 H88B 109.5 . .
H88A C88 H88B 108.1 . .
C84 C91 C70 111.6(12) . .
C84 C91 H91A 109.3 . .
C70 C91 H91A 109.3 . .
C84 C91 H91B 109.3 . .
C70 C91 H91B 109.3 . .
H91A C91 H91B 108.0 . .
C79 C92 C34 110.5(12) . .
C79 C92 H92A 109.5 . .
C34 C92 H92A 109.5 . .
C79 C92 H92B 109.5 . .
C34 C92 H92B 109.5 . .
H92A C92 H92B 108.1 . .
Cl13 C94 Cl14 111.4(11) . .
Cl13 C94 Cl15 112.3(9) . .
Cl14 C94 Cl15 111.0(9) . .
Cl13 C94 H94 107.3 . .
Cl14 C94 H94 107.3 . .
Cl15 C94 H94 107.3 . .
F83 B95 F90 111(2) . .
F83 B95 F89 111.7(18) . .
F90 B95 F89 104.1(16) . .
F83 B95 F32 111.4(14) . .
F90 B95 F32 109.7(16) . .
F89 B95 F32 108.5(19) . .
C69 C96 C59 110.7(12) . .
C69 C96 H96A 109.5 . .
C59 C96 H96A 109.5 . .
C69 C96 H96B 109.5 . .
C59 C96 H96B 109.5 . .
H96A C96 H96B 108.1 . .
C60 C97 C81 112.7(13) . .
C60 C97 H97A 109.1 . .
C81 C97 H97A 109.1 . .
C60 C97 H97B 109.1 . .
C81 C97 H97B 109.1 . .
H97A C97 H97B 107.8 . .
Ru4 C98 Au1 173.6(6) . .
Ru3 C99 Au2 175.4(6) . .
Cl103 C100 Cl101 106(2) . .
Cl103 C100 Cl102 101.8(19) . .
Cl101 C100 Cl102 107.3(12) . .
Cl103 C100 H100 113.5 . .
Cl101 C100 H100 113.6 . .
Cl102 C100 H100 113.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C98 1.960(10) 2
Au1 C98 1.960(10) .
Au2 C99 1.974(9) .
Au2 C99 1.974(9) 2_655
Ru3 C99 1.655(9) .
Ru3 Cl7 2.342(2) .
Ru3 Cl6 2.342(2) .
Ru3 P9 2.431(3) .
Ru3 P5 2.438(2) .
Ru4 C98 1.679(10) .
Ru4 Cl11 2.344(3) .
Ru4 Cl8 2.347(2) .
Ru4 P10 2.424(3) .
Ru4 P12 2.439(3) .
P5 C51 1.846(9) .
P5 C27 1.849(9) .
P5 C40 1.863(9) .
P9 C38 1.838(10) .
P9 C49 1.856(9) .
P9 C17 1.860(10) .
P10 C22 1.845(10) .
P10 C58 1.860(10) .
P10 C20 1.863(9) .
P12 C65 1.838(11) .
P12 C45 1.843(9) .
P12 C21 1.868(10) .
Cl13 C94 1.728(16) .
Cl14 C94 1.749(17) .
Cl15 C94 1.759(15) .
C16 C73 1.502(14) .
C16 C20 1.544(13) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C47 1.514(14) .
C17 C46 1.544(14) .
C17 H17 0.9800 .
C18 C67 1.510(15) .
C18 C73 1.556(15) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C27 1.528(12) .
C19 C48 1.545(14) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C64 1.532(13) .
C20 H20 0.9800 .
C21 C54 1.538(15) .
C21 C39 1.541(14) .
C21 H21 0.9800 .
C22 C41 1.523(14) .
C22 C35 1.539(14) .
C22 H22 0.9800 .
C23 C27 1.520(12) .
C23 C43 1.530(13) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C49 1.494(15) .
C24 C56 1.527(14) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C50 1.531(15) .
C25 C54 1.542(14) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C48 1.486(15) .
C26 C43 1.495(15) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 H27 0.9800 .
C30 C79 1.489(17) .
C30 C33 1.528(14) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C53 1.501(16) .
C31 C41 1.535(15) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
F32 B95 1.39(2) .
C33 C40 1.542(14) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C40 1.520(14) .
C34 C92 1.534(15) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.521(14) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C53 1.539(17) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C50 1.495(16) .
C37 C39 1.547(13) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C88 1.508(15) .
C38 C70 1.552(16) .
C38 H38 0.9800 .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 H40 0.9800 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C52 1.524(16) .
C42 C74 1.544(14) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C45 C71 1.523(14) .
C45 C61 1.524(14) .
C45 H45 0.9800 .
C46 C62 1.548(15) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C66 1.521(16) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C49 C81 1.530(16) .
C49 H49 0.9800 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C74 1.522(13) .
C51 C77 1.521(14) .
C51 H51 0.9800 .
C52 C57 1.505(16) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C66 1.485(18) .
C55 C62 1.517(17) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C60 1.479(18) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C77 1.546(14) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C82 1.546(15) .
C58 C78 1.547(15) .
C58 H58 0.9800 .
C59 C96 1.526(18) .
C59 C75 1.534(16) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 C97 1.45(2) .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C61 C72 1.518(15) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C63 C87 1.52(2) .
C63 C85 1.52(2) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C64 C67 1.519(14) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 C75 1.511(15) .
C65 C76 1.520(15) .
C65 H65 0.9800 .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C68 C72 1.521(18) .
C68 C80 1.542(18) .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C69 C76 1.510(16) .
C69 C96 1.52(2) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 C91 1.533(16) .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
C71 C80 1.505(15) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 C87 1.524(15) .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C79 C92 1.52(2) .
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 C97 1.565(17) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 C85 1.528(16) .
C82 H82A 0.9700 .
C82 H82B 0.9700 .
F83 B95 1.29(2) .
C84 C91 1.50(2) .
C84 C86 1.55(2) .
C84 H84A 0.9700 .
C84 H84B 0.9700 .
C85 H85A 0.9700 .
C85 H85B 0.9700 .
C86 C88 1.537(17) .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C88 H88A 0.9700 .
C88 H88B 0.9700 .
F89 B95 1.34(2) .
F90 B95 1.32(2) .
C91 H91A 0.9700 .
C91 H91B 0.9700 .
C92 H92A 0.9700 .
C92 H92B 0.9700 .
C94 H94 0.9800 .
C96 H96A 0.9700 .
C96 H96B 0.9700 .
C97 H97A 0.9700 .
C97 H97B 0.9700 .
Cl102 C100 1.95(3) .
Cl101 C100 1.74(3) .
Cl103 C100 1.67(3) .
C100 H100 0.9800 .
