#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/46/4064610.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_4064610
loop_
_publ_author_name
'Bruce, Michael I.'
'Burgun, Alexandre'
'Gendron, Frédéric'
'Grelaud, Guillaume'
'Halet, Jean-François'
'Skelton, Brian W.'
_publ_section_title
;
 Oxidative Dimerization of Arylalkynyl--Ruthenium Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2861
_journal_paper_doi               10.1021/om200213z
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety
;
 C92 H76 O P4 Ru2,2(As F6),3.28(C6 H6), 2.2(C H2 Cl2)
;
_chemical_formula_sum            'C113.9 H100.12 As2 Cl4.44 F12 O P4 Ru2'
_chemical_formula_weight         2346.12
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-09-01T08:49:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 111.627(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.8171(8)
_cell_length_b                   15.4048(5)
_cell_length_c                   30.3241(9)
_cell_measurement_reflns_used    32423
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.6611
_cell_measurement_theta_min      3.568
_cell_volume                     10342.6(6)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'OrtepII (Johnson, C. K. (1976)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4738
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0224985936
_diffrn_orient_matrix_UB_12      0.0307986573
_diffrn_orient_matrix_UB_13      -0.001227093
_diffrn_orient_matrix_UB_21      -0.000969135
_diffrn_orient_matrix_UB_22      0.0133919679
_diffrn_orient_matrix_UB_23      -0.0225707671
_diffrn_orient_matrix_UB_31      -0.0226063087
_diffrn_orient_matrix_UB_32      -0.0312762002
_diffrn_orient_matrix_UB_33      -0.0108580549
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.1053
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            139483
_diffrn_reflns_theta_full        31
_diffrn_reflns_theta_max         32.74
_diffrn_reflns_theta_min         3.57
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.78403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4756
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.433
_refine_diff_density_min         -1.804
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1330
_refine_ls_number_reflns         35352
_refine_ls_number_restraints     171
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.056
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0813P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1507
_refine_ls_wR_factor_ref         0.1597
_reflns_number_gt                20427
_reflns_number_total             35352
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om200213z_si_005.cif
_cod_data_source_block           br1489
_cod_original_sg_symbol_Hall     -P_2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C113.90 H100.12 As2 Cl4.44 F12 O P4 Ru2'
_cod_database_code               4064610
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.108323(11) 0.313491(18) 0.348932(9) 0.01493(6) Uani 1 1 d . . .
Ru2 Ru 0.192496(11) 0.690207(17) 0.425218(9) 0.01431(6) Uani 1 1 d . . .
C1 C 0.26074(15) 0.6680(2) 0.41038(11) 0.0173(6) Uani 1 1 d . . .
O1 O 0.30253(11) 0.65215(17) 0.40190(9) 0.0246(5) Uani 1 1 d . . .
P1 P 0.02968(4) 0.33300(6) 0.37693(3) 0.01730(17) Uani 1 1 d . . .
C111 C 0.05718(16) 0.3657(2) 0.43933(12) 0.0206(7) Uani 1 1 d . . .
C112 C 0.11850(16) 0.3757(2) 0.46594(12) 0.0226(7) Uani 1 1 d . . .
H112 H 0.1473 0.3658 0.4516 0.027 Uiso 1 1 calc R . .
C113 C 0.13791(19) 0.3999(3) 0.51338(13) 0.0298(9) Uani 1 1 d . . .
H113 H 0.1798 0.4063 0.5314 0.036 Uiso 1 1 calc R . .
C114 C 0.09623(19) 0.4146(2) 0.53424(14) 0.0292(9) Uani 1 1 d . . .
H114 H 0.1093 0.4316 0.5666 0.035 Uiso 1 1 calc R . .
C115 C 0.03535(18) 0.4044(2) 0.50791(13) 0.0277(8) Uani 1 1 d . . .
H115 H 0.0067 0.4144 0.5224 0.033 Uiso 1 1 calc R . .
C116 C 0.01563(17) 0.3799(2) 0.46111(13) 0.0237(7) Uani 1 1 d . . .
H116 H -0.0263 0.3727 0.4436 0.028 Uiso 1 1 calc R . .
C121 C -0.00792(15) 0.2297(2) 0.37648(13) 0.0198(7) Uani 1 1 d . . .
C122 C 0.00004(16) 0.1852(2) 0.41860(13) 0.0238(7) Uani 1 1 d . . .
H122 H 0.0232 0.2109 0.4482 0.029 Uiso 1 1 calc R . .
C123 C -0.02520(17) 0.1048(2) 0.41781(15) 0.0291(8) Uani 1 1 d . . .
H123 H -0.019 0.0751 0.4467 0.035 Uiso 1 1 calc R . .
C124 C -0.06028(18) 0.0663(3) 0.37410(16) 0.0355(10) Uani 1 1 d . . .
H124 H -0.0782 0.0109 0.3733 0.043 Uiso 1 1 calc R . .
C125 C -0.06832(17) 0.1102(3) 0.33235(15) 0.0304(9) Uani 1 1 d . . .
H125 H -0.092 0.0847 0.3028 0.037 Uiso 1 1 calc R . .
C126 C -0.04225(16) 0.1909(2) 0.33318(14) 0.0258(8) Uani 1 1 d . . .
H126 H -0.0477 0.22 0.3043 0.031 Uiso 1 1 calc R . .
C131 C -0.03042(15) 0.4132(2) 0.35093(12) 0.0205(7) Uani 1 1 d . . .
C132 C -0.01838(17) 0.4995(2) 0.36640(13) 0.0250(8) Uani 1 1 d . . .
H132 H 0.0189 0.5135 0.391 0.03 Uiso 1 1 calc R . .
C133 C -0.05965(19) 0.5639(3) 0.34642(14) 0.0324(9) Uani 1 1 d . . .
H133 H -0.0509 0.622 0.3573 0.039 Uiso 1 1 calc R . .
C134 C -0.11381(19) 0.5445(3) 0.31057(15) 0.0374(10) Uani 1 1 d . . .
H134 H -0.1421 0.5892 0.2962 0.045 Uiso 1 1 calc R . .
C135 C -0.12682(17) 0.4591(3) 0.29566(15) 0.0338(9) Uani 1 1 d . . .
H135 H -0.1645 0.4453 0.2715 0.041 Uiso 1 1 calc R . .
C136 C -0.08546(15) 0.3943(3) 0.31568(13) 0.0250(8) Uani 1 1 d . . .
H136 H -0.0948 0.3361 0.3052 0.03 Uiso 1 1 calc R . .
P2 P 0.06025(4) 0.33921(6) 0.26729(3) 0.01861(18) Uani 1 1 d . . .
C211 C 0.10844(15) 0.3065(2) 0.23491(12) 0.0213(7) Uani 1 1 d . . .
C212 C 0.08596(17) 0.2604(3) 0.19210(12) 0.0249(8) Uani 1 1 d . . .
H212 H 0.0452 0.2413 0.1801 0.03 Uiso 1 1 calc R . .
C213 C 0.12299(17) 0.2429(3) 0.16758(13) 0.0278(8) Uani 1 1 d . . .
H213 H 0.1075 0.2116 0.1386 0.033 Uiso 1 1 calc R . .
C214 C 0.18221(18) 0.2701(3) 0.18451(14) 0.0323(9) Uani 1 1 d . . .
H214 H 0.2077 0.2564 0.1677 0.039 Uiso 1 1 calc R . .
C215 C 0.20453(17) 0.3175(3) 0.22617(13) 0.0278(8) Uani 1 1 d . . .
H215 H 0.2449 0.3385 0.2373 0.033 Uiso 1 1 calc R . .
C216 C 0.16760(16) 0.3342(2) 0.25163(13) 0.0242(8) Uani 1 1 d . . .
H216 H 0.1833 0.3649 0.2808 0.029 Uiso 1 1 calc R . .
C221 C -0.00834(15) 0.2751(3) 0.23886(12) 0.0261(8) Uani 1 1 d . . .
C222 C -0.06470(17) 0.3139(3) 0.22082(14) 0.0350(10) Uani 1 1 d . . .
H222 H -0.068 0.3753 0.2213 0.042 Uiso 1 1 calc R . .
C223 C -0.1165(2) 0.2633(4) 0.20203(17) 0.0498(14) Uani 1 1 d . . .
H223 H -0.1552 0.2898 0.1904 0.06 Uiso 1 1 calc R . .
C224 C -0.1112(2) 0.1733(4) 0.20035(17) 0.0559(16) Uani 1 1 d . . .
H224 H -0.1464 0.1386 0.1871 0.067 Uiso 1 1 calc R . .
C225 C -0.0550(2) 0.1342(3) 0.21776(15) 0.0431(12) Uani 1 1 d . . .
H225 H -0.0516 0.0729 0.2164 0.052 Uiso 1 1 calc R . .
C226 C -0.00412(19) 0.1846(3) 0.23716(14) 0.0329(9) Uani 1 1 d . . .
H226 H 0.0344 0.1576 0.2496 0.04 Uiso 1 1 calc R . .
C231 C 0.03877(15) 0.4489(3) 0.24385(12) 0.0232(7) Uani 1 1 d . . .
C232 C 0.01606(15) 0.5080(3) 0.26715(12) 0.0228(7) Uani 1 1 d . . .
H232 H 0.0117 0.4916 0.2959 0.027 Uiso 1 1 calc R . .
C233 C -0.00057(16) 0.5910(3) 0.24930(13) 0.0278(8) Uani 1 1 d . . .
H233 H -0.017 0.6304 0.2654 0.033 Uiso 1 1 calc R . .
C234 C 0.00679(18) 0.6162(3) 0.20809(14) 0.0350(10) Uani 1 1 d . . .
H234 H -0.0037 0.6734 0.1961 0.042 Uiso 1 1 calc R . .
C235 C 0.0293(2) 0.5583(3) 0.18464(14) 0.0406(11) Uani 1 1 d . . .
H235 H 0.034 0.5755 0.1561 0.049 Uiso 1 1 calc R . .
C236 C 0.04541(19) 0.4751(3) 0.20179(13) 0.0349(10) Uani 1 1 d . . .
H236 H 0.061 0.4357 0.185 0.042 Uiso 1 1 calc R . .
C11 C 0.13289(14) 0.4279(2) 0.35659(11) 0.0160(6) Uani 1 1 d . . .
C12 C 0.15215(14) 0.5091(2) 0.35740(11) 0.0162(6) Uani 1 1 d . . .
C141 C 0.19009(15) 0.5259(2) 0.32817(12) 0.0169(6) Uani 1 1 d . . .
C142 C 0.24647(14) 0.4875(2) 0.34040(12) 0.0192(7) Uani 1 1 d . . .
H142 H 0.261 0.4507 0.3674 0.023 Uiso 1 1 calc R . .
C143 C 0.28191(15) 0.5022(2) 0.31373(13) 0.0237(8) Uani 1 1 d . . .
H143 H 0.3208 0.4765 0.3231 0.028 Uiso 1 1 calc R . .
C144 C 0.26108(17) 0.5541(3) 0.27346(13) 0.0265(8) Uani 1 1 d . . .
C145 C 0.20371(17) 0.5914(3) 0.26052(13) 0.0270(8) Uani 1 1 d . . .
H145 H 0.1887 0.6269 0.233 0.032 Uiso 1 1 calc R . .
C146 C 0.16850(16) 0.5770(2) 0.28756(12) 0.0228(7) Uani 1 1 d . . .
H146 H 0.1294 0.6022 0.2782 0.027 Uiso 1 1 calc R . .
C147 C 0.29884(19) 0.5694(3) 0.24387(15) 0.0365(10) Uani 1 1 d . . .
H14A H 0.2761 0.6049 0.2162 0.055 Uiso 1 1 calc R . .
H14B H 0.3089 0.5135 0.2332 0.055 Uiso 1 1 calc R . .
H14C H 0.3361 0.5996 0.2629 0.055 Uiso 1 1 calc R . .
P3 P 0.20592(4) 0.83932(6) 0.41406(3) 0.01831(17) Uani 1 1 d . . .
C311 C 0.15186(16) 0.8684(2) 0.35497(13) 0.0231(7) Uani 1 1 d . . .
C312 C 0.10578(18) 0.9281(3) 0.34758(15) 0.0352(10) Uani 1 1 d . . .
H312 H 0.1009 0.9564 0.3738 0.042 Uiso 1 1 calc R . .
C313 C 0.0666(2) 0.9465(3) 0.30141(17) 0.0488(13) Uani 1 1 d . . .
H313 H 0.0351 0.9877 0.2962 0.059 Uiso 1 1 calc R . .
C314 C 0.0733(2) 0.9054(3) 0.26338(16) 0.0496(13) Uani 1 1 d . . .
H314 H 0.0461 0.9182 0.2321 0.06 Uiso 1 1 calc R . .
C315 C 0.1185(2) 0.8464(3) 0.27004(14) 0.0404(11) Uani 1 1 d . . .
H315 H 0.1229 0.8186 0.2435 0.049 Uiso 1 1 calc R . .
C316 C 0.15833(18) 0.8272(3) 0.31602(13) 0.0279(8) Uani 1 1 d . . .
H316 H 0.1898 0.7861 0.3208 0.033 Uiso 1 1 calc R . .
C321 C 0.19131(16) 0.9187(2) 0.45320(12) 0.0232(7) Uani 1 1 d . . .
C322 C 0.23081(19) 0.9866(3) 0.47292(15) 0.0361(10) Uani 1 1 d . . .
H322 H 0.2675 0.9908 0.4674 0.043 Uiso 1 1 calc R . .
C323 C 0.2171(2) 1.0485(3) 0.50064(19) 0.0519(13) Uani 1 1 d . . .
H323 H 0.2445 1.0945 0.5143 0.062 Uiso 1 1 calc R . .
C324 C 0.1641(2) 1.0434(3) 0.50837(17) 0.0442(11) Uani 1 1 d . . .
H324 H 0.1542 1.0866 0.5267 0.053 Uiso 1 1 calc R . .
C325 C 0.12519(19) 0.9755(3) 0.48942(15) 0.0357(10) Uani 1 1 d . . .
H325 H 0.0888 0.9717 0.4953 0.043 Uiso 1 1 calc R . .
C326 C 0.13794(16) 0.9132(3) 0.46209(14) 0.0278(8) Uani 1 1 d . . .
H326 H 0.1106 0.8666 0.4493 0.033 Uiso 1 1 calc R . .
C331 C 0.27687(16) 0.8777(2) 0.41031(12) 0.0238(7) Uani 1 1 d . . .
C332 C 0.33166(16) 0.8458(3) 0.44109(13) 0.0256(8) Uani 1 1 d . . .
H332 H 0.3325 0.8026 0.4637 0.031 Uiso 1 1 calc R . .
C333 C 0.38522(18) 0.8765(3) 0.43902(15) 0.0336(9) Uani 1 1 d . . .
H333 H 0.4226 0.8534 0.4598 0.04 Uiso 1 1 calc R . .
C334 C 0.3850(2) 0.9407(3) 0.40691(16) 0.0431(12) Uani 1 1 d . . .
H334 H 0.422 0.9621 0.406 0.052 Uiso 1 1 calc R . .
C335 C 0.3313(2) 0.9728(3) 0.37666(16) 0.0428(11) Uani 1 1 d . . .
H335 H 0.3307 1.0161 0.3542 0.051 Uiso 1 1 calc R . .
C336 C 0.2776(2) 0.9422(3) 0.37865(14) 0.0353(10) Uani 1 1 d . . .
H336 H 0.2404 0.966 0.3579 0.042 Uiso 1 1 calc R . .
P4 P 0.25095(4) 0.66379(6) 0.50466(3) 0.01661(17) Uani 1 1 d . . .
C411 C 0.27727(14) 0.5514(2) 0.51525(12) 0.0209(7) Uani 1 1 d . . .
C412 C 0.27282(15) 0.4945(2) 0.47792(13) 0.0238(7) Uani 1 1 d . . .
H412 H 0.2514 0.5121 0.4461 0.029 Uiso 1 1 calc R . .
C413 C 0.29927(17) 0.4130(3) 0.48693(15) 0.0306(9) Uani 1 1 d . . .
H413 H 0.297 0.3757 0.4614 0.037 Uiso 1 1 calc R . .
C414 C 0.32913(18) 0.3859(3) 0.53347(17) 0.0415(11) Uani 1 1 d . . .
H414 H 0.3464 0.3295 0.5397 0.05 Uiso 1 1 calc R . .
C415 C 0.33384(19) 0.4408(3) 0.57069(16) 0.0412(11) Uani 1 1 d . . .
H415 H 0.3543 0.4218 0.6024 0.049 Uiso 1 1 calc R . .
C416 C 0.30905(16) 0.5233(3) 0.56221(13) 0.0295(9) Uani 1 1 d . . .
H416 H 0.3134 0.561 0.588 0.035 Uiso 1 1 calc R . .
C421 C 0.32368(15) 0.7172(2) 0.53445(12) 0.0197(7) Uani 1 1 d . . .
C422 C 0.37339(15) 0.6864(2) 0.52533(12) 0.0221(7) Uani 1 1 d . . .
H422 H 0.3689 0.6372 0.5055 0.027 Uiso 1 1 calc R . .
C423 C 0.42877(16) 0.7261(3) 0.54463(13) 0.0273(8) Uani 1 1 d . . .
H423 H 0.4621 0.7043 0.538 0.033 Uiso 1 1 calc R . .
C424 C 0.43602(18) 0.7979(3) 0.57369(16) 0.0364(10) Uani 1 1 d . . .
H424 H 0.474 0.8263 0.5865 0.044 Uiso 1 1 calc R . .
C425 C 0.3880(2) 0.8278(3) 0.58391(16) 0.0408(11) Uani 1 1 d . . .
H425 H 0.3934 0.8756 0.6049 0.049 Uiso 1 1 calc R . .
C426 C 0.33173(18) 0.7893(3) 0.56412(14) 0.0304(9) Uani 1 1 d . . .
H426 H 0.2985 0.812 0.5707 0.036 Uiso 1 1 calc R . .
C431 C 0.20928(15) 0.6820(3) 0.54356(12) 0.0232(8) Uani 1 1 d . . .
C432 C 0.19307(16) 0.6146(3) 0.56731(13) 0.0291(9) Uani 1 1 d . . .
H432 H 0.204 0.5565 0.5638 0.035 Uiso 1 1 calc R . .
C433 C 0.16060(17) 0.6334(3) 0.59629(14) 0.0356(10) Uani 1 1 d . . .
H433 H 0.1494 0.5877 0.6124 0.043 Uiso 1 1 calc R . .
C434 C 0.14478(18) 0.7173(4) 0.60163(15) 0.0427(12) Uani 1 1 d . . .
H434 H 0.1239 0.7294 0.6222 0.051 Uiso 1 1 calc R . .
C435 C 0.15906(19) 0.7843(3) 0.57720(15) 0.0407(11) Uani 1 1 d . . .
H435 H 0.1474 0.8422 0.5805 0.049 Uiso 1 1 calc R . .
C436 C 0.19083(17) 0.7656(3) 0.54767(14) 0.0330(9) Uani 1 1 d . . .
H436 H 0.1999 0.8111 0.5302 0.04 Uiso 1 1 calc R . .
C101 C 0.19117(15) 0.2524(2) 0.40345(14) 0.0263(8) Uani 1 1 d . . .
H101 H 0.2187 0.285 0.4288 0.032 Uiso 1 1 calc R . .
C102 C 0.13951(16) 0.2072(2) 0.40391(13) 0.0244(8) Uani 1 1 d . . .
H102 H 0.126 0.2052 0.4297 0.029 Uiso 1 1 calc R . .
C103 C 0.11149(16) 0.1657(2) 0.35956(13) 0.0232(7) Uani 1 1 d . . .
H103 H 0.0765 0.1301 0.3503 0.028 Uiso 1 1 calc R . .
C104 C 0.14559(16) 0.1874(2) 0.33196(14) 0.0251(8) Uani 1 1 d . . .
H104 H 0.1369 0.1691 0.3002 0.03 Uiso 1 1 calc R . .
C105 C 0.19395(15) 0.2397(2) 0.35806(14) 0.0252(8) Uani 1 1 d . . .
H105 H 0.2236 0.2629 0.3473 0.03 Uiso 1 1 calc R . .
C201 C 0.13334(13) 0.5810(2) 0.38111(11) 0.0153(6) Uani 1 1 d . . .
C202 C 0.13214(14) 0.5807(2) 0.42800(12) 0.0171(6) Uani 1 1 d . . .
H202 H 0.1469 0.5357 0.4508 0.021 Uiso 1 1 calc R . .
C203 C 0.10464(15) 0.6607(2) 0.43453(13) 0.0208(7) Uani 1 1 d . . .
H203 H 0.0972 0.6771 0.4621 0.025 Uiso 1 1 calc R . .
C204 C 0.09101(14) 0.7098(2) 0.39322(12) 0.0207(7) Uani 1 1 d . . .
H204 H 0.0723 0.7653 0.3878 0.025 Uiso 1 1 calc R . .
C205 C 0.11010(14) 0.6623(2) 0.36008(12) 0.0192(7) Uani 1 1 d . . .
H205 H 0.1076 0.6818 0.3297 0.023 Uiso 1 1 calc R . .
C301 C 0.0881(4) 0.5499(5) 0.9644(2) 0.099(3) Uani 1 1 d D . .
H301 H 0.101 0.4931 0.976 0.118 Uiso 1 1 calc R . .
C302 C 0.0796(4) 0.6114(4) 0.9930(2) 0.088(2) Uani 1 1 d D . .
H302 H 0.0901 0.6002 1.0259 0.106 Uiso 1 1 calc R . .
C303 C 0.0562(4) 0.6889(4) 0.9747(2) 0.087(2) Uani 1 1 d D . .
H303 H 0.0452 0.7284 0.9942 0.104 Uiso 1 1 calc R . .
C304 C 0.0476(2) 0.7127(4) 0.92975(18) 0.0560(14) Uani 1 1 d D . .
H304 H 0.0341 0.7693 0.9183 0.067 Uiso 1 1 calc R . .
C305 C 0.0593(4) 0.6513(5) 0.9015(2) 0.097(3) Uani 1 1 d D . .
H305 H 0.0544 0.6654 0.8698 0.116 Uiso 1 1 calc R . .
C306 C 0.0778(5) 0.5709(6) 0.9186(3) 0.166(6) Uani 1 1 d D . .
H306 H 0.0838 0.5282 0.8981 0.199 Uiso 1 1 calc R . .
C401 C 0.0187(3) 0.0771(3) 0.02377(19) 0.0511(13) Uani 1 1 d . . .
H401 H 0.0319 0.1305 0.04 0.061 Uiso 1 1 calc R . .
C402 C 0.0580(2) 0.0080(4) 0.03241(18) 0.0514(13) Uani 1 1 d . . .
H402 H 0.098 0.0135 0.0551 0.062 Uiso 1 1 calc R . .
C403 C 0.0396(2) -0.0691(3) 0.00822(19) 0.0500(13) Uani 1 1 d . . .
H403 H 0.067 -0.1163 0.0136 0.06 Uiso 1 1 calc R . .
C501 C 0.5926(8) 0.3184(11) 0.2431(7) 0.082(5) Uani 0.5 1 d PDU A 1
H501 H 0.5573 0.2888 0.2233 0.098 Uiso 0.5 1 calc PR A 1
C502 C 0.6210(8) 0.2925(13) 0.2904(6) 0.080(5) Uani 0.5 1 d PDU A 1
H502 H 0.6045 0.2472 0.3031 0.096 Uiso 0.5 1 calc PR A 1
C503 C 0.6716(8) 0.3323(10) 0.3172(5) 0.069(4) Uani 0.5 1 d PDU A 1
H503 H 0.6918 0.3152 0.3493 0.082 Uiso 0.5 1 calc PR A 1
C504 C 0.6939(5) 0.3968(7) 0.2988(4) 0.069(3) Uani 0.5 1 d PDU A 1
H504 H 0.7303 0.4245 0.3183 0.082 Uiso 0.5 1 calc PR A 1
C505 C 0.6664(6) 0.4235(9) 0.2536(5) 0.091(4) Uani 0.5 1 d PDU A 1
H505 H 0.6833 0.4694 0.2416 0.109 Uiso 0.5 1 calc PR A 1
C506 C 0.6145(7) 0.3849(10) 0.2252(5) 0.087(5) Uani 0.5 1 d PDU A 1
H506 H 0.5941 0.4041 0.1936 0.104 Uiso 0.5 1 calc PR A 1
C601 C 0.5896(7) 0.3238(13) 0.2618(5) 0.072(4) Uani 0.5 1 d PDU B 2
H601 H 0.549 0.322 0.26 0.086 Uiso 0.5 1 calc PR B 2
C602 C 0.6356(9) 0.3104(15) 0.3051(5) 0.086(5) Uani 0.5 1 d PDU B 2
H602 H 0.6272 0.301 0.333 0.104 Uiso 0.5 1 calc PR B 2
C603 C 0.6920(8) 0.3112(15) 0.3064(6) 0.110(6) Uani 0.5 1 d PDU B 2
H603 H 0.7242 0.3041 0.3362 0.132 Uiso 0.5 1 calc PR B 2
C604 C 0.7055(7) 0.3217(15) 0.2675(7) 0.141(6) Uani 0.5 1 d PDU B 2
H604 H 0.7459 0.3179 0.269 0.169 Uiso 0.5 1 calc PR B 2
C605 C 0.6582(8) 0.3383(16) 0.2248(6) 0.134(5) Uani 0.5 1 d PDU B 2
H605 H 0.6669 0.3489 0.1971 0.16 Uiso 0.5 1 calc PR B 2
C606 C 0.6006(8) 0.3395(16) 0.2219(5) 0.086(5) Uani 0.5 1 d PDU B 2
H606 H 0.5685 0.351 0.1927 0.104 Uiso 0.5 1 calc PR B 2
C801 C 0.7690(6) 0.5838(10) 0.1739(5) 0.155(6) Uani 0.782(8) 1 d PD C 1
H801 H 0.7524 0.6332 0.1834 0.186 Uiso 0.782(8) 1 calc PR C 1
C802 C 0.7303(5) 0.5164(13) 0.1513(7) 0.156(10) Uani 0.782(8) 1 d PD C 1
H802 H 0.6895 0.5171 0.1491 0.187 Uiso 0.782(8) 1 calc PR C 1
C803 C 0.7508(5) 0.4512(8) 0.1329(4) 0.112(5) Uani 0.782(8) 1 d PD C 1
H803 H 0.7246 0.4056 0.1163 0.134 Uiso 0.782(8) 1 calc PR C 1
C804 C 0.8084(4) 0.4513(8) 0.1381(4) 0.100(4) Uani 0.782(8) 1 d PD C 1
H804 H 0.8236 0.406 0.1245 0.12 Uiso 0.782(8) 1 calc PR C 1
C805 C 0.8467(8) 0.5166(12) 0.1632(7) 0.105(10) Uani 0.782(8) 1 d PD C 1
H805 H 0.888 0.5141 0.1667 0.126 Uiso 0.782(8) 1 calc PR C 1
C806 C 0.8284(5) 0.5832(8) 0.1829(4) 0.089(3) Uani 0.782(8) 1 d PD C 1
H806 H 0.8552 0.6262 0.2017 0.107 Uiso 0.782(8) 1 calc PR C 1
As1 As 0.370760(17) 0.26095(3) 0.372817(15) 0.03152(10) Uani 1 1 d . . .
F11 F 0.30879(13) 0.2798(3) 0.32233(11) 0.0730(10) Uani 1 1 d . D .
F12 F 0.43293(12) 0.2518(3) 0.42252(11) 0.0733(11) Uani 1 1 d . D .
F13 F 0.3341(2) 0.3187(4) 0.40216(19) 0.0416(12) Uiso 0.5 1 d P D 1
F14 F 0.3358(3) 0.1725(5) 0.3802(2) 0.0711(19) Uiso 0.5 1 d P D 1
F15 F 0.4028(3) 0.2184(5) 0.3357(2) 0.0599(16) Uiso 0.5 1 d P D 1
F16 F 0.3998(3) 0.3593(5) 0.3623(2) 0.0685(18) Uiso 0.5 1 d P D 1
F17 F 0.3535(6) 0.3592(9) 0.3893(5) 0.160(5) Uiso 0.5 1 d P D 2
F18 F 0.4143(4) 0.2904(7) 0.3449(3) 0.104(3) Uiso 0.5 1 d P D 2
F19 F 0.3874(5) 0.1622(7) 0.3586(4) 0.130(4) Uiso 0.5 1 d P D 2
F10 F 0.3335(4) 0.2401(6) 0.4093(3) 0.101(3) Uiso 0.5 1 d P D 2
As2 As 0.044787(18) 0.17189(2) 0.566831(15) 0.02587(9) Uani 1 1 d . . .
F21 F -0.02086(11) 0.21515(17) 0.52701(9) 0.0405(6) Uani 1 1 d . . .
F22 F 0.08402(10) 0.20768(15) 0.53285(9) 0.0344(5) Uani 1 1 d . . .
F23 F 0.11039(10) 0.12766(17) 0.60653(9) 0.0420(6) Uani 1 1 d . . .
F24 F 0.00610(10) 0.13522(16) 0.60124(8) 0.0360(6) Uani 1 1 d . . .
F25 F 0.06005(13) 0.26716(16) 0.59768(9) 0.0477(7) Uani 1 1 d . . .
F26 F 0.03007(11) 0.07664(15) 0.53604(9) 0.0375(6) Uani 1 1 d . . .
Cl11 Cl 0.94744(5) 0.91312(9) 0.14559(4) 0.0470(3) Uani 1 1 d . . .
Cl12 Cl 1.02915(7) 1.05210(9) 0.14480(4) 0.0580(3) Uani 1 1 d . . .
C01 C 0.9858(2) 0.9633(3) 0.11282(16) 0.0441(11) Uani 1 1 d . . .
H01A H 0.9562 0.984 0.0821 0.053 Uiso 1 1 calc R . .
H01B H 1.0127 0.9206 0.1061 0.053 Uiso 1 1 calc R . .
Cl21 Cl 0.7325(7) 0.4649(12) 0.1583(7) 0.149(10) Uani 0.218(8) 1 d PD C 2
Cl22 Cl 0.8479(5) 0.5325(12) 0.1725(5) 0.053(3) Uani 0.218(8) 1 d PD C 2
C02 C 0.7760(14) 0.517(3) 0.1324(12) 0.113(14) Uiso 0.218(8) 1 d PD C 2
H02A H 0.7774 0.4817 0.1055 0.136 Uiso 0.218(8) 1 calc PR C 2
H02B H 0.7576 0.5737 0.1198 0.136 Uiso 0.218(8) 1 calc PR C 2
Cl31 Cl 0.72545(9) 0.1239(2) 0.14293(8) 0.1503(13) Uani 1 1 d . . .
Cl32 Cl 0.75493(14) 0.2544(2) 0.08510(10) 0.1465(10) Uani 1 1 d . . .
C03 C 0.7047(4) 0.2235(6) 0.1165(4) 0.120(3) Uiso 1 1 d . . .
H03A H 0.7072 0.2676 0.1409 0.144 Uiso 1 1 calc R . .
H03B H 0.6624 0.2211 0.0937 0.144 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
C11 Ru1 C102 126.66(14) .
C11 Ru1 C101 98.91(14) .
C102 Ru1 C101 36.59(13) .
C11 Ru1 C105 103.59(14) .
C102 Ru1 C105 60.57(13) .
C101 Ru1 C105 36.49(14) .
C11 Ru1 C104 135.49(13) .
C102 Ru1 C104 59.85(13) .
C101 Ru1 C104 60.07(14) .
C105 Ru1 C104 35.70(13) .
C11 Ru1 C103 159.55(13) .
C102 Ru1 C103 36.17(13) .
C101 Ru1 C103 60.65(14) .
C105 Ru1 C103 60.20(13) .
C104 Ru1 C103 35.81(12) .
C11 Ru1 P1 95.20(9) .
C102 Ru1 P1 85.11(9) .
C101 Ru1 P1 112.79(10) .
C105 Ru1 P1 145.63(10) .
C104 Ru1 P1 128.52(10) .
C103 Ru1 P1 93.76(9) .
C11 Ru1 P2 88.87(10) .
C102 Ru1 P2 143.23(10) .
C101 Ru1 P2 142.84(10) .
C105 Ru1 P2 106.35(10) .
C104 Ru1 P2 89.13(10) .
C103 Ru1 P2 107.06(10) .
P1 Ru1 P2 102.49(3) .
C1 Ru2 C202 119.87(13) .
C1 Ru2 C205 107.89(13) .
C202 Ru2 C205 61.66(12) .
C1 Ru2 C203 156.98(14) .
C202 Ru2 C203 37.45(12) .
C205 Ru2 C203 61.55(12) .
C1 Ru2 C204 143.57(13) .
C202 Ru2 C204 61.23(13) .
C205 Ru2 C204 37.28(12) .
C203 Ru2 C204 35.91(13) .
C1 Ru2 C201 97.33(13) .
C202 Ru2 C201 36.92(11) .
C205 Ru2 C201 36.51(12) .
C203 Ru2 C201 61.64(12) .
C204 Ru2 C201 61.15(12) .
C1 Ru2 P4 88.61(10) .
C202 Ru2 P4 88.67(9) .
C205 Ru2 P4 150.19(9) .
C203 Ru2 P4 93.64(9) .
C204 Ru2 P4 126.98(9) .
C201 Ru2 P4 118.75(8) .
C1 Ru2 P3 88.16(11) .
C202 Ru2 P3 149.51(9) .
C205 Ru2 P3 100.39(9) .
C203 Ru2 P3 113.23(9) .
C204 Ru2 P3 89.33(10) .
C201 Ru2 P3 136.04(8) .
P4 Ru2 P3 104.90(3) .
O1 C1 Ru2 178.0(3) .
C121 P1 C111 103.62(16) .
C121 P1 C131 106.33(16) .
C111 P1 C131 100.60(16) .
C121 P1 Ru1 109.97(11) .
C111 P1 Ru1 112.38(12) .
C131 P1 Ru1 122.13(11) .
C112 C111 C116 119.0(3) .
C112 C111 P1 121.9(3) .
C116 C111 P1 119.1(3) .
C113 C112 C111 120.5(3) .
C113 C112 H112 119.8 .
C111 C112 H112 119.8 .
C114 C113 C112 119.9(4) .
C114 C113 H113 120.1 .
C112 C113 H113 120.1 .
C113 C114 C115 119.7(3) .
C113 C114 H114 120.1 .
C115 C114 H114 120.1 .
C116 C115 C114 121.0(3) .
C116 C115 H115 119.5 .
C114 C115 H115 119.5 .
C115 C116 C111 120.0(4) .
C115 C116 H116 120 .
C111 C116 H116 120 .
C126 C121 C122 118.8(3) .
C126 C121 P1 119.7(3) .
C122 C121 P1 121.4(3) .
C123 C122 C121 121.0(4) .
C123 C122 H122 119.5 .
C121 C122 H122 119.5 .
C122 C123 C124 120.0(4) .
C122 C123 H123 120 .
C124 C123 H123 120 .
C125 C124 C123 119.2(4) .
C125 C124 H124 120.4 .
C123 C124 H124 120.4 .
C126 C125 C124 120.8(4) .
C126 C125 H125 119.6 .
C124 C125 H125 119.6 .
C125 C126 C121 120.2(4) .
C125 C126 H126 119.9 .
C121 C126 H126 119.9 .
C136 C131 C132 118.4(3) .
C136 C131 P1 123.9(3) .
C132 C131 P1 117.6(3) .
C133 C132 C131 120.8(4) .
C133 C132 H132 119.6 .
C131 C132 H132 119.6 .
C132 C133 C134 120.1(4) .
C132 C133 H133 120 .
C134 C133 H133 120 .
C133 C134 C135 119.6(4) .
C133 C134 H134 120.2 .
C135 C134 H134 120.2 .
C136 C135 C134 120.4(4) .
C136 C135 H135 119.8 .
C134 C135 H135 119.8 .
C135 C136 C131 120.6(4) .
C135 C136 H136 119.7 .
C131 C136 H136 119.7 .
C221 P2 C231 104.02(18) .
C221 P2 C211 103.03(16) .
C231 P2 C211 100.73(16) .
C221 P2 Ru1 114.17(13) .
C231 P2 Ru1 121.53(12) .
C211 P2 Ru1 111.10(12) .
C216 C211 C212 119.2(3) .
C216 C211 P2 118.3(3) .
C212 C211 P2 122.3(3) .
C213 C212 C211 119.9(3) .
C213 C212 H212 120 .
C211 C212 H212 120 .
C212 C213 C214 120.8(3) .
C212 C213 H213 119.6 .
C214 C213 H213 119.6 .
C213 C214 C215 119.8(3) .
C213 C214 H214 120.1 .
C215 C214 H214 120.1 .
C214 C215 C216 119.7(3) .
C214 C215 H215 120.2 .
C216 C215 H215 120.2 .
C211 C216 C215 120.6(3) .
C211 C216 H216 119.7 .
C215 C216 H216 119.7 .
C222 C221 C226 119.2(4) .
C222 C221 P2 121.3(3) .
C226 C221 P2 119.4(3) .
C221 C222 C223 120.2(5) .
C221 C222 H222 119.9 .
C223 C222 H222 119.9 .
C222 C223 C224 119.6(5) .
C222 C223 H223 120.2 .
C224 C223 H223 120.2 .
C225 C224 C223 120.5(4) .
C225 C224 H224 119.7 .
C223 C224 H224 119.7 .
C226 C225 C224 119.6(5) .
C226 C225 H225 120.2 .
C224 C225 H225 120.2 .
C225 C226 C221 120.9(4) .
C225 C226 H226 119.6 .
C221 C226 H226 119.6 .
C232 C231 C236 118.2(4) .
C232 C231 P2 121.1(3) .
C236 C231 P2 120.7(3) .
C231 C232 C233 121.2(3) .
C231 C232 H232 119.4 .
C233 C232 H232 119.4 .
C234 C233 C232 120.0(4) .
C234 C233 H233 120 .
C232 C233 H233 120 .
C235 C234 C233 119.5(4) .
C235 C234 H234 120.3 .
C233 C234 H234 120.3 .
C234 C235 C236 121.1(4) .
C234 C235 H235 119.5 .
C236 C235 H235 119.5 .
C235 C236 C231 120.0(4) .
C235 C236 H236 120 .
C231 C236 H236 120 .
C12 C11 Ru1 173.0(3) .
C11 C12 C201 123.4(3) .
C11 C12 C141 115.4(3) .
C201 C12 C141 120.9(3) .
C142 C141 C146 118.9(3) .
C142 C141 C12 120.1(3) .
C146 C141 C12 120.9(3) .
C143 C142 C141 120.8(3) .
C143 C142 H142 119.6 .
C141 C142 H142 119.6 .
C142 C143 C144 120.6(3) .
C142 C143 H143 119.7 .
C144 C143 H143 119.7 .
C143 C144 C145 118.6(3) .
C143 C144 C147 121.0(4) .
C145 C144 C147 120.4(4) .
C146 C145 C144 120.6(3) .
C146 C145 H145 119.7 .
C144 C145 H145 119.7 .
C145 C146 C141 120.4(3) .
C145 C146 H146 119.8 .
C141 C146 H146 119.8 .
C144 C147 H14A 109.5 .
C144 C147 H14B 109.5 .
H14A C147 H14B 109.5 .
C144 C147 H14C 109.5 .
H14A C147 H14C 109.5 .
H14B C147 H14C 109.5 .
C321 P3 C331 103.02(17) .
C321 P3 C311 103.77(17) .
C331 P3 C311 101.06(17) .
C321 P3 Ru2 119.38(12) .
C331 P3 Ru2 119.96(13) .
C311 P3 Ru2 107.10(12) .
C312 C311 C316 119.5(4) .
C312 C311 P3 123.3(3) .
C316 C311 P3 117.3(3) .
C311 C312 C313 119.6(4) .
C311 C312 H312 120.2 .
C313 C312 H312 120.2 .
C314 C313 C312 120.5(4) .
C314 C313 H313 119.8 .
C312 C313 H313 119.8 .
C315 C314 C313 120.7(4) .
C315 C314 H314 119.7 .
C313 C314 H314 119.7 .
C314 C315 C316 119.8(4) .
C314 C315 H315 120.1 .
C316 C315 H315 120.1 .
C311 C316 C315 120.0(4) .
C311 C316 H316 120 .
C315 C316 H316 120 .
C322 C321 C326 119.0(3) .
C322 C321 P3 121.6(3) .
C326 C321 P3 119.4(3) .
C321 C322 C323 120.4(4) .
C321 C322 H322 119.8 .
C323 C322 H322 119.8 .
C324 C323 C322 120.2(4) .
C324 C323 H323 119.9 .
C322 C323 H323 119.9 .
C323 C324 C325 119.6(4) .
C323 C324 H324 120.2 .
C325 C324 H324 120.2 .
C326 C325 C324 121.3(4) .
C326 C325 H325 119.3 .
C324 C325 H325 119.3 .
C325 C326 C321 119.6(4) .
C325 C326 H326 120.2 .
C321 C326 H326 120.2 .
C332 C331 C336 118.2(4) .
C332 C331 P3 120.3(3) .
C336 C331 P3 121.4(3) .
C333 C332 C331 120.2(4) .
C333 C332 H332 119.9 .
C331 C332 H332 119.9 .
C332 C333 C334 120.7(4) .
C332 C333 H333 119.6 .
C334 C333 H333 119.6 .
C335 C334 C333 119.5(4) .
C335 C334 H334 120.3 .
C333 C334 H334 120.3 .
C334 C335 C336 120.0(4) .
C334 C335 H335 120 .
C336 C335 H335 120 .
C331 C336 C335 121.4(4) .
C331 C336 H336 119.3 .
C335 C336 H336 119.3 .
C431 P4 C421 104.72(16) .
C431 P4 C411 105.39(17) .
C421 P4 C411 97.96(16) .
C431 P4 Ru2 112.45(11) .
C421 P4 Ru2 121.89(11) .
C411 P4 Ru2 112.47(12) .
C412 C411 C416 118.3(3) .
C412 C411 P4 122.0(3) .
C416 C411 P4 119.3(3) .
C413 C412 C411 120.9(4) .
C413 C412 H412 119.6 .
C411 C412 H412 119.6 .
C412 C413 C414 119.8(4) .
C412 C413 H413 120.1 .
C414 C413 H413 120.1 .
C415 C414 C413 120.2(4) .
C415 C414 H414 119.9 .
C413 C414 H414 119.9 .
C414 C415 C416 120.6(4) .
C414 C415 H415 119.7 .
C416 C415 H415 119.7 .
C415 C416 C411 120.2(4) .
C415 C416 H416 119.9 .
C411 C416 H416 119.9 .
C422 C421 C426 118.2(3) .
C422 C421 P4 117.9(3) .
C426 C421 P4 123.8(3) .
C423 C422 C421 121.1(4) .
C423 C422 H422 119.5 .
C421 C422 H422 119.5 .
C422 C423 C424 120.1(4) .
C422 C423 H423 119.9 .
C424 C423 H423 119.9 .
C425 C424 C423 119.5(4) .
C425 C424 H424 120.2 .
C423 C424 H424 120.2 .
C424 C425 C426 121.0(4) .
C424 C425 H425 119.5 .
C426 C425 H425 119.5 .
C425 C426 C421 120.0(4) .
C425 C426 H426 120 .
C421 C426 H426 120 .
C436 C431 C432 119.3(3) .
C436 C431 P4 118.0(3) .
C432 C431 P4 122.7(3) .
C431 C432 C433 119.5(4) .
C431 C432 H432 120.2 .
C433 C432 H432 120.2 .
C434 C433 C432 120.6(4) .
C434 C433 H433 119.7 .
C432 C433 H433 119.7 .
C433 C434 C435 120.5(4) .
C433 C434 H434 119.8 .
C435 C434 H434 119.8 .
C434 C435 C436 119.1(4) .
C434 C435 H435 120.4 .
C436 C435 H435 120.4 .
C431 C436 C435 121.0(4) .
C431 C436 H436 119.5 .
C435 C436 H436 119.5 .
C105 C101 C102 107.1(3) .
C105 C101 Ru1 71.8(2) .
C102 C101 Ru1 71.6(2) .
C105 C101 H101 126.5 .
C102 C101 H101 126.5 .
Ru1 C101 H101 121.9 .
C103 C102 C101 108.6(3) .
C103 C102 Ru1 73.4(2) .
C101 C102 Ru1 71.8(2) .
C103 C102 H102 125.7 .
C101 C102 H102 125.7 .
Ru1 C102 H102 120.8 .
C104 C103 C102 106.6(3) .
C104 C103 Ru1 71.1(2) .
C102 C103 Ru1 70.4(2) .
C104 C103 H103 126.7 .
C102 C103 H103 126.7 .
Ru1 C103 H103 123.4 .
C105 C104 C103 109.8(3) .
C105 C104 Ru1 71.7(2) .
C103 C104 Ru1 73.1(2) .
C105 C104 H104 125.1 .
C103 C104 H104 125.1 .
Ru1 C104 H104 121.7 .
C104 C105 C101 107.9(3) .
C104 C105 Ru1 72.60(19) .
C101 C105 Ru1 71.7(2) .
C104 C105 H105 126 .
C101 C105 H105 126 .
Ru1 C105 H105 121.4 .
C205 C201 C202 107.5(3) .
C205 C201 C12 125.4(3) .
C202 C201 C12 127.0(3) .
C205 C201 Ru2 70.60(18) .
C202 C201 Ru2 69.81(18) .
C12 C201 Ru2 127.2(2) .
C201 C202 C203 108.0(3) .
C201 C202 Ru2 73.27(18) .
C203 C202 Ru2 72.03(19) .
C201 C202 H202 126 .
C203 C202 H202 126 .
Ru2 C202 H202 120.5 .
C204 C203 C202 107.9(3) .
C204 C203 Ru2 72.44(19) .
C202 C203 Ru2 70.52(17) .
C204 C203 H203 126.1 .
C202 C203 H203 126.1 .
Ru2 C203 H203 122.6 .
C203 C204 C205 108.7(3) .
C203 C204 Ru2 71.65(19) .
C205 C204 Ru2 70.82(18) .
C203 C204 H204 125.6 .
C205 C204 H204 125.6 .
Ru2 C204 H204 123.5 .
C201 C205 C204 107.7(3) .
C201 C205 Ru2 72.89(18) .
C204 C205 Ru2 71.90(18) .
C201 C205 H205 126.1 .
C204 C205 H205 126.1 .
Ru2 C205 H205 120.9 .
C302 C301 C306 118.5(6) .
C302 C301 H301 120.8 .
C306 C301 H301 120.8 .
C303 C302 C301 119.7(6) .
C303 C302 H302 120.1 .
C301 C302 H302 120.1 .
C302 C303 C304 122.7(6) .
C302 C303 H303 118.6 .
C304 C303 H303 118.6 .
C303 C304 C305 116.9(6) .
C303 C304 H304 121.6 .
C305 C304 H304 121.6 .
C306 C305 C304 120.4(6) .
C306 C305 H305 119.8 .
C304 C305 H305 119.8 .
C305 C306 C301 121.3(6) .
C305 C306 H306 119.4 .
C301 C306 H306 119.4 .
C403 C401 C402 120.2(5) 3
C403 C401 H401 119.9 3
C402 C401 H401 119.9 .
C403 C402 C401 120.2(5) .
C403 C402 H402 119.9 .
C401 C402 H402 119.9 .
C401 C403 C402 119.6(5) 3
C401 C403 H403 120.2 3
C402 C403 H403 120.2 .
C506 C501 C502 120.9(12) .
C506 C501 H501 119.5 .
C502 C501 H501 119.5 .
C503 C502 C501 118.9(12) .
C503 C502 H502 120.5 .
C501 C502 H502 120.5 .
C502 C503 C504 119.7(12) .
C502 C503 H503 120.1 .
C504 C503 H503 120.1 .
C503 C504 C505 122.0(11) .
C503 C504 H504 119 .
C505 C504 H504 119 .
C504 C505 C506 120.0(11) .
C504 C505 H505 120 .
C506 C505 H505 120 .
C501 C506 C505 118.4(12) .
C501 C506 H506 120.8 .
C505 C506 H506 120.8 .
C606 C601 C602 122.1(14) .
C606 C601 H601 118.9 .
C602 C601 H601 118.9 .
C603 C602 C601 117.7(14) .
C603 C602 H602 121.1 .
C601 C602 H602 121.1 .
C602 C603 C604 122.7(14) .
C602 C603 H603 118.6 .
C604 C603 H603 118.6 .
C603 C604 C605 117.9(14) .
C603 C604 H604 121 .
C605 C604 H604 121 .
C606 C605 C604 121.3(13) .
C606 C605 H605 119.3 .
C604 C605 H605 119.3 .
C601 C606 C605 118.0(13) .
C601 C606 H606 121 .
C605 C606 H606 121 .
C806 C801 C802 123.7(11) .
C806 C801 H801 118.1 .
C802 C801 H801 118.1 .
C803 C802 C801 119.6(11) .
C803 C802 H802 120.2 .
C801 C802 H802 120.2 .
C804 C803 C802 118.4(11) .
C804 C803 H803 120.8 .
C802 C803 H803 120.8 .
C803 C804 C805 120.8(12) .
C803 C804 H804 119.6 .
C805 C804 H804 119.6 .
C806 C805 C804 123.1(14) .
C806 C805 H805 118.5 .
C804 C805 H805 118.5 .
C801 C806 C805 114.0(12) .
C801 C806 H806 123 .
C805 C806 H806 123 .
F18 As1 F19 82.1(5) .
F18 As1 F12 88.3(3) .
F14 As1 F12 97.5(3) .
F19 As1 F12 86.6(4) .
F18 As1 F10 170.5(5) .
F19 As1 F10 103.2(5) .
F12 As1 F10 84.2(3) .
F18 As1 F17 100.1(6) .
F19 As1 F17 177.6(6) .
F12 As1 F17 92.3(5) .
F10 As1 F17 74.5(6) .
F14 As1 F15 98.2(3) .
F12 As1 F15 95.7(2) .
F14 As1 F13 88.8(3) .
F12 As1 F13 91.5(2) .
F15 As1 F13 169.2(3) .
F18 As1 F11 89.6(3) .
F14 As1 F11 87.2(3) .
F19 As1 F11 97.6(4) .
F12 As1 F11 175.0(2) .
F10 As1 F11 97.4(3) .
F17 As1 F11 83.7(4) .
F15 As1 F11 85.6(2) .
F13 As1 F11 86.6(2) .
F14 As1 F16 173.8(3) .
F12 As1 F16 87.7(3) .
F15 As1 F16 84.8(3) .
F13 As1 F16 87.5(3) .
F11 As1 F16 87.6(3) .
F26 As2 F25 179.58(13) .
F26 As2 F22 89.73(11) .
F25 As2 F22 89.98(12) .
F26 As2 F21 89.93(13) .
F25 As2 F21 90.37(14) .
F22 As2 F21 90.53(11) .
F26 As2 F24 90.10(12) .
F25 As2 F24 90.20(12) .
F22 As2 F24 179.36(12) .
F21 As2 F24 90.09(11) .
F26 As2 F23 89.59(13) .
F25 As2 F23 90.11(14) .
F22 As2 F23 89.56(11) .
F21 As2 F23 179.51(15) .
F24 As2 F23 89.82(11) .
Cl11 C01 Cl12 110.5(2) .
Cl11 C01 H01A 109.6 .
Cl12 C01 H01A 109.6 .
Cl11 C01 H01B 109.6 .
Cl12 C01 H01B 109.6 .
H01A C01 H01B 108.1 .
Cl22 C02 Cl21 111(2) .
Cl22 C02 H02A 109.5 .
Cl21 C02 H02A 109.5 .
Cl22 C02 H02B 109.5 .
Cl21 C02 H02B 109.5 .
H02A C02 H02B 108.1 .
Cl31 C03 Cl32 110.0(5) .
Cl31 C03 H03A 109.7 .
Cl32 C03 H03A 109.7 .
Cl31 C03 H03B 109.7 .
Cl32 C03 H03B 109.7 .
H03A C03 H03B 108.2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C11 1.844(3) .
Ru1 C102 2.258(4) .
Ru1 C101 2.260(3) .
Ru1 C105 2.261(3) .
Ru1 C104 2.272(3) .
Ru1 C103 2.297(4) .
Ru1 P1 2.3433(8) .
Ru1 P2 2.3469(9) .
Ru2 C1 1.871(3) .
Ru2 C202 2.238(3) .
Ru2 C205 2.254(3) .
Ru2 C203 2.258(3) .
Ru2 C204 2.268(3) .
Ru2 C201 2.284(3) .
Ru2 P4 2.3313(9) .
Ru2 P3 2.3608(10) .
C1 O1 1.142(4) .
P1 C121 1.823(4) .
P1 C111 1.831(3) .
P1 C131 1.835(4) .
C111 C112 1.392(5) .
C111 C116 1.395(5) .
C112 C113 1.390(5) .
C112 H112 0.95 .
C113 C114 1.378(5) .
C113 H113 0.95 .
C114 C115 1.382(6) .
C114 H114 0.95 .
C115 C116 1.373(5) .
C115 H115 0.95 .
C116 H116 0.95 .
C121 C126 1.400(5) .
C121 C122 1.400(5) .
C122 C123 1.373(5) .
C122 H122 0.95 .
C123 C124 1.410(6) .
C123 H123 0.95 .
C124 C125 1.385(6) .
C124 H124 0.95 .
C125 C126 1.386(5) .
C125 H125 0.95 .
C126 H126 0.95 .
C131 C136 1.383(5) .
C131 C132 1.404(5) .
C132 C133 1.370(5) .
C132 H132 0.95 .
C133 C134 1.379(6) .
C133 H133 0.95 .
C134 C135 1.388(6) .
C134 H134 0.95 .
C135 C136 1.376(5) .
C135 H135 0.95 .
C136 H136 0.95 .
P2 C221 1.830(4) .
P2 C231 1.832(4) .
P2 C211 1.835(3) .
C211 C216 1.377(5) .
C211 C212 1.401(5) .
C212 C213 1.374(5) .
C212 H212 0.95 .
C213 C214 1.376(5) .
C213 H213 0.95 .
C214 C215 1.384(5) .
C214 H214 0.95 .
C215 C216 1.391(5) .
C215 H215 0.95 .
C216 H216 0.95 .
C221 C222 1.385(5) .
C221 C226 1.400(6) .
C222 C223 1.392(6) .
C222 H222 0.95 .
C223 C224 1.394(8) .
C223 H223 0.95 .
C224 C225 1.381(7) .
C224 H224 0.95 .
C225 C226 1.376(6) .
C225 H225 0.95 .
C226 H226 0.95 .
C231 C232 1.379(5) .
C231 C236 1.401(5) .
C232 C233 1.388(5) .
C232 H232 0.95 .
C233 C234 1.380(5) .
C233 H233 0.95 .
C234 C235 1.368(6) .
C234 H234 0.95 .
C235 C236 1.383(6) .
C235 H235 0.95 .
C236 H236 0.95 .
C11 C12 1.329(5) .
C12 C201 1.477(4) .
C12 C141 1.503(4) .
C141 C142 1.387(5) .
C141 C146 1.390(5) .
C142 C143 1.386(4) .
C142 H142 0.95 .
C143 C144 1.390(5) .
C143 H143 0.95 .
C144 C145 1.398(5) .
C144 C147 1.505(5) .
C145 C146 1.390(5) .
C145 H145 0.95 .
C146 H146 0.95 .
C147 H14A 0.98 .
C147 H14B 0.98 .
C147 H14C 0.98 .
P3 C321 1.825(4) .
P3 C331 1.833(4) .
P3 C311 1.835(4) .
C311 C312 1.386(5) .
C311 C316 1.398(5) .
C312 C313 1.396(6) .
C312 H312 0.95 .
C313 C314 1.375(7) .
C313 H313 0.95 .
C314 C315 1.367(7) .
C314 H314 0.95 .
C315 C316 1.399(5) .
C315 H315 0.95 .
C316 H316 0.95 .
C321 C322 1.386(5) .
C321 C326 1.396(5) .
C322 C323 1.387(6) .
C322 H322 0.95 .
C323 C324 1.368(6) .
C323 H323 0.95 .
C324 C325 1.375(6) .
C324 H324 0.95 .
C325 C326 1.374(5) .
C325 H325 0.95 .
C326 H326 0.95 .
C331 C332 1.385(5) .
C331 C336 1.386(5) .
C332 C333 1.384(5) .
C332 H332 0.95 .
C333 C334 1.386(6) .
C333 H333 0.95 .
C334 C335 1.362(7) .
C334 H334 0.95 .
C335 C336 1.386(6) .
C335 H335 0.95 .
C336 H336 0.95 .
P4 C431 1.822(3) .
P4 C421 1.828(4) .
P4 C411 1.829(4) .
C411 C412 1.405(5) .
C411 C416 1.412(5) .
C412 C413 1.386(5) .
C412 H412 0.95 .
C413 C414 1.390(6) .
C413 H413 0.95 .
C414 C415 1.381(7) .
C414 H414 0.95 .
C415 C416 1.384(6) .
C415 H415 0.95 .
C416 H416 0.95 .
C421 C422 1.395(5) .
C421 C426 1.397(5) .
C422 C423 1.374(5) .
C422 H422 0.95 .
C423 C424 1.385(6) .
C423 H423 0.95 .
C424 C425 1.369(6) .
C424 H424 0.95 .
C425 C426 1.384(6) .
C425 H425 0.95 .
C426 H426 0.95 .
C431 C436 1.382(6) .
C431 C432 1.396(5) .
C432 C433 1.398(5) .
C432 H432 0.95 .
C433 C434 1.372(7) .
C433 H433 0.95 .
C434 C435 1.385(7) .
C434 H434 0.95 .
C435 C436 1.399(5) .
C435 H435 0.95 .
C436 H436 0.95 .
C101 C105 1.415(5) .
C101 C102 1.418(5) .
C101 H101 0.95 .
C102 C103 1.415(5) .
C102 H102 0.95 .
C103 C104 1.405(5) .
C103 H103 0.95 .
C104 C105 1.389(5) .
C104 H104 0.95 .
C105 H105 0.95 .
C201 C205 1.422(5) .
C201 C202 1.432(4) .
C202 C203 1.444(5) .
C202 H202 0.95 .
C203 C204 1.395(5) .
C203 H203 0.95 .
C204 C205 1.446(5) .
C204 H204 0.95 .
C205 H205 0.95 .
C301 C302 1.351(8) .
C301 C306 1.358(9) .
C301 H301 0.95 .
C302 C303 1.346(8) .
C302 H302 0.95 .
C303 C304 1.353(7) .
C303 H303 0.95 .
C304 C305 1.371(8) .
C304 H304 0.95 .
C305 C306 1.353(9) .
C305 H305 0.95 .
C306 H306 0.95 .
C401 C403 1.376(7) 3
C401 C402 1.378(7) .
C401 H401 0.95 .
C402 C403 1.379(8) .
C402 H402 0.95 .
C403 C401 1.376(7) 3
C403 H403 0.95 .
C501 C506 1.351(14) .
C501 C502 1.398(14) .
C501 H501 0.95 .
C502 C503 1.329(14) .
C502 H502 0.95 .
C503 C504 1.341(13) .
C503 H503 0.95 .
C504 C505 1.348(12) .
C504 H504 0.95 .
C505 C506 1.355(14) .
C505 H505 0.95 .
C506 H506 0.95 .
C601 C606 1.349(13) .
C601 C602 1.382(14) .
C601 H601 0.95 .
C602 C603 1.330(15) .
C602 H602 0.95 .
C603 C604 1.342(15) .
C603 H603 0.95 .
C604 C605 1.390(14) .
C604 H604 0.95 .
C605 C606 1.344(15) .
C605 H605 0.95 .
C606 H606 0.95 .
C801 C806 1.337(12) .
C801 C802 1.390(14) .
C801 H801 0.95 .
C802 C803 1.326(15) .
C802 H802 0.95 .
C803 C804 1.322(11) .
C803 H803 0.95 .
C804 C805 1.384(13) .
C804 H804 0.95 .
C805 C806 1.338(15) .
C805 H805 0.95 .
C806 H806 0.95 .
As1 F18 1.626(9) .
As1 F14 1.655(7) .
As1 F19 1.668(11) .
As1 F12 1.685(3) .
As1 F10 1.684(9) .
As1 F17 1.692(14) .
As1 F15 1.707(6) .
As1 F13 1.709(5) .
As1 F11 1.715(3) .
As1 F16 1.742(7) .
As2 F26 1.705(2) .
As2 F25 1.706(2) .
As2 F22 1.717(2) .
As2 F21 1.719(2) .
As2 F24 1.722(2) .
As2 F23 1.723(2) .
Cl11 C01 1.757(5) .
Cl12 C01 1.772(5) .
C01 H01A 0.99 .
C01 H01B 0.99 .
Cl21 C02 1.71(3) .
Cl22 C02 1.71(3) .
C02 H02A 0.99 .
C02 H02B 0.99 .
Cl31 C03 1.717(10) .
Cl32 C03 1.844(9) .
C03 H03A 0.99 .
C03 H03B 0.99 .
