#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/76/2227663.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_2227663
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Sirat, Siti Syaida'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
;
 Bis([μ-bis(diphenylphosphino)methane-1:2κ²P:P']nonacarbonyl-1κ³C,2κ³C,3κ³C-{tris[4-(methylsulfanyl)phenyl]arsine-3κAs}-triangulo-triruthenium(0))
 dichloromethane monosolvate
;
_journal_coeditor_code           IS2583
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1150
_journal_page_last               m1151
_journal_paper_doi               10.1107/S160053681003093X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'2[Ru3 (C21 H21 As S3) (C25 H22 P2) (C O)9], C H2 Cl2'
_chemical_formula_moiety         '2(C55 H43 As O9 P2 Ru3 S3), C H2 Cl2'
_chemical_formula_sum            'C111 H88 As2 Cl2 O18 P4 Ru6 S6'
_chemical_formula_weight         2853.21
_chemical_name_systematic
;
Bis([μ-bis(diphenylphosphino)methane-1:2κ²P:P']nonacarbonyl-
1κ³C,2κ³C,3κ³C-
{tris[4-(methylsulfanyl)phenyl]arsine-3κAs}-triangulo-
triruthenium(0)) dichloromethane monosolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.5390(10)
_cell_angle_beta                 98.2280(10)
_cell_angle_gamma                103.2120(10)
_cell_formula_units_Z            1
_cell_length_a                   10.80770(10)
_cell_length_b                   12.6180(2)
_cell_length_c                   20.9478(3)
_cell_measurement_reflns_used    9102
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      34.91
_cell_measurement_theta_min      2.34
_cell_volume                     2733.84(7)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector diffractometer
;
_diffrn_measurement_method       'φ and ω 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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            305620
_diffrn_reflns_theta_full        35.19
_diffrn_reflns_theta_max         35.19
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.697
_exptl_absorpt_correction_T_max  0.7861
_exptl_absorpt_correction_T_min  0.5826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1418
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.496
_refine_diff_density_min         -1.343
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         24183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0210P)²+4.6125P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                20753
_reflns_number_total             24183
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2583.cif
_cod_data_source_block           I
_cod_original_cell_volume        2733.83(6)
_cod_database_code               2227663
_cod_database_fobs_code          2227663
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.789717(12) 1.074563(10) 0.230124(6) 0.01282(2) Uani d . 1 . .
Ru Ru2 0.955747(12) 1.014066(10) 0.331223(6) 0.01201(2) Uani d . 1 . .
Ru Ru3 0.732672(12) 0.856245(10) 0.269877(6) 0.01296(2) Uani d . 1 . .
As As1 0.515421(16) 0.749783(13) 0.220967(8) 0.01364(3) Uani d . 1 . .
P P1 0.87864(4) 1.26009(3) 0.26392(2) 0.01301(7) Uani d . 1 . .
P P2 1.10728(4) 1.17749(3) 0.33137(2) 0.01262(7) Uani d . 1 . .
S S1 0.14677(5) 0.91123(5) -0.00329(2) 0.02511(9) Uani d . 1 . .
S S2 0.53088(5) 0.31201(4) 0.03880(2) 0.02334(9) Uani d . 1 . .
S S3 0.17287(5) 0.55384(4) 0.43536(2) 0.02273(9) Uani d . 1 . .
O O1 0.99444(14) 1.04100(12) 0.14713(7) 0.0213(2) Uani d . 1 . .
O O2 0.61722(15) 1.10054(13) 0.10736(8) 0.0279(3) Uani d . 1 . .
O O3 0.56621(14) 1.07036(13) 0.30652(8) 0.0258(3) Uani d . 1 . .
O O4 0.80979(13) 1.13552(12) 0.41588(7) 0.0218(3) Uani d . 1 . .
O O5 1.06190(17) 0.91808(14) 0.44992(8) 0.0303(3) Uani d . 1 . .
O O6 1.07660(14) 0.86993(12) 0.24560(7) 0.0240(3) Uani d . 1 . .
O O7 0.82395(15) 0.81171(12) 0.14058(7) 0.0254(3) Uani d . 1 . .
O O8 0.85901(15) 0.68341(12) 0.32256(8) 0.0260(3) Uani d . 1 . .
O O9 0.63093(15) 0.90166(12) 0.39677(7) 0.0247(3) Uani d . 1 . .
C C1 0.92078(17) 1.35527(14) 0.20399(9) 0.0167(3) Uani d . 1 . .
C C2 0.96341(19) 1.46840(15) 0.22417(10) 0.0225(3) Uani d . 1 . .
H H2A 0.9733 1.4940 0.2679 0.027 Uiso calc R 1 . .
C C3 0.9908(2) 1.54212(17) 0.17939(12) 0.0316(5) Uani d . 1 . .
H H3A 1.0196 1.6168 0.1932 0.038 Uiso calc R 1 . .
C C4 0.9752(3) 1.50426(19) 0.11383(13) 0.0355(5) Uani d . 1 . .
H H4A 0.9941 1.5536 0.0838 0.043 Uiso calc R 1 . .
C C5 0.9316(2) 1.39300(19) 0.09312(11) 0.0308(4) Uani d . 1 . .
H H5A 0.9198 1.3681 0.0492 0.037 Uiso calc R 1 . .
C C6 0.9052(2) 1.31822(16) 0.13816(9) 0.0215(3) Uani d . 1 . .
H H6A 0.8773 1.2436 0.1242 0.026 Uiso calc R 1 . .
C C7 0.77484(16) 1.33157(13) 0.30306(8) 0.0155(3) Uani d . 1 . .
C C8 0.81545(18) 1.40218(15) 0.36071(9) 0.0192(3) Uani d . 1 . .
H H8A 0.8990 1.4122 0.3829 0.023 Uiso calc R 1 . .
C C9 0.73212(19) 1.45786(16) 0.38536(9) 0.0215(3) Uani d . 1 . .
H H9A 0.7598 1.5044 0.4240 0.026 Uiso calc R 1 . .
C C10 0.60814(19) 1.44401(15) 0.35230(10) 0.0216(3) Uani d . 1 . .
H H10A 0.5525 1.4812 0.3688 0.026 Uiso calc R 1 . .
C C11 0.56677(18) 1.37492(16) 0.29474(10) 0.0223(3) Uani d . 1 . .
H H11A 0.4836 1.3663 0.2725 0.027 Uiso calc R 1 . .
C C12 0.64908(17) 1.31841(15) 0.27014(9) 0.0190(3) Uani d . 1 . .
H H12A 0.6206 1.2716 0.2316 0.023 Uiso calc R 1 . .
C C13 1.02687(16) 1.29086(13) 0.32548(8) 0.0150(3) Uani d . 1 . .
H H13A 1.0870 1.3544 0.3151 0.018 Uiso calc R 1 . .
H H13B 1.0051 1.3099 0.3675 0.018 Uiso calc R 1 . .
C C14 1.20348(16) 1.18633(14) 0.26653(8) 0.0149(3) Uani d . 1 . .
C C15 1.20290(17) 1.26488(15) 0.22314(9) 0.0186(3) Uani d . 1 . .
H H15A 1.1591 1.3193 0.2295 0.022 Uiso calc R 1 . .
C C16 1.26785(19) 1.26183(18) 0.17042(10) 0.0243(4) Uani d . 1 . .
H H16A 1.2673 1.3144 0.1418 0.029 Uiso calc R 1 . .
C C17 1.33347(19) 1.18084(18) 0.16030(10) 0.0246(4) Uani d . 1 . .
H H17A 1.3747 1.1780 0.1244 0.030 Uiso calc R 1 . .
C C18 1.33699(18) 1.10422(17) 0.20416(9) 0.0216(3) Uani d . 1 . .
H H18A 1.3822 1.0508 0.1981 0.026 Uiso calc R 1 . .
C C19 1.27308(17) 1.10715(14) 0.25718(9) 0.0174(3) Uani d . 1 . .
H H19A 1.2767 1.0561 0.2866 0.021 Uiso calc R 1 . .
C C20 1.22350(16) 1.22969(13) 0.40601(8) 0.0150(3) Uani d . 1 . .
C C21 1.35464(18) 1.27053(16) 0.40655(9) 0.0208(3) Uani d . 1 . .
H H21A 1.3871 1.2704 0.3678 0.025 Uiso calc R 1 . .
C C22 1.4378(2) 1.31169(18) 0.46514(10) 0.0261(4) Uani d . 1 . .
H H22A 1.5255 1.3384 0.4652 0.031 Uiso calc R 1 . .
C C23 1.3905(2) 1.31285(17) 0.52300(10) 0.0249(4) Uani d . 1 . .
H H23A 1.4460 1.3405 0.5619 0.030 Uiso calc R 1 . .
C C24 1.2597(2) 1.27251(17) 0.52274(9) 0.0229(3) Uani d . 1 . .
H H24A 1.2276 1.2738 0.5616 0.027 Uiso calc R 1 . .
C C25 1.17665(18) 1.23034(15) 0.46504(9) 0.0194(3) Uani d . 1 . .
H H25A 1.0894 1.2023 0.4655 0.023 Uiso calc R 1 . .
C C26 0.39948(16) 0.80880(13) 0.16213(8) 0.0155(3) Uani d . 1 . .
C C27 0.26723(17) 0.78662(15) 0.16155(9) 0.0193(3) Uani d . 1 . .
H H27A 0.2323 0.7505 0.1943 0.023 Uiso calc R 1 . .
C C28 0.18649(18) 0.81801(16) 0.11239(9) 0.0207(3) Uani d . 1 . .
H H28A 0.0983 0.8037 0.1127 0.025 Uiso calc R 1 . .
C C29 0.23805(18) 0.87091(15) 0.06264(9) 0.0188(3) Uani d . 1 . .
C C30 0.37130(19) 0.89558(16) 0.06400(9) 0.0207(3) Uani d . 1 . .
H H30A 0.4066 0.9324 0.0316 0.025 Uiso calc R 1 . .
C C31 0.45127(17) 0.86529(14) 0.11362(9) 0.0186(3) Uani d . 1 . .
H H31A 0.5399 0.8828 0.1145 0.022 Uiso calc R 1 . .
C C32 0.51489(17) 0.61810(13) 0.16580(8) 0.0161(3) Uani d . 1 . .
C C33 0.41482(18) 0.57361(14) 0.11431(9) 0.0199(3) Uani d . 1 . .
H H33A 0.3458 0.6061 0.1068 0.024 Uiso calc R 1 . .
C C34 0.41688(19) 0.48096(15) 0.07386(9) 0.0213(3) Uani d . 1 . .
H H34A 0.3500 0.4527 0.0393 0.026 Uiso calc R 1 . .
C C35 0.51893(19) 0.43051(14) 0.08509(9) 0.0187(3) Uani d . 1 . .
C C36 0.61985(19) 0.47521(15) 0.13645(9) 0.0212(3) Uani d . 1 . .
H H36A 0.6888 0.4427 0.1441 0.025 Uiso calc R 1 . .
C C37 0.61745(18) 0.56789(15) 0.17616(9) 0.0205(3) Uani d . 1 . .
H H37A 0.6852 0.5970 0.2102 0.025 Uiso calc R 1 . .
C C38 0.40518(16) 0.69247(13) 0.28205(8) 0.0154(3) Uani d . 1 . .
C C39 0.38059(17) 0.58160(14) 0.29089(9) 0.0173(3) Uani d . 1 . .
H H39A 0.4118 0.5337 0.2651 0.021 Uiso calc R 1 . .
C C40 0.30962(17) 0.54248(14) 0.33805(9) 0.0181(3) Uani d . 1 . .
H H40A 0.2961 0.4689 0.3445 0.022 Uiso calc R 1 . .
C C41 0.25826(17) 0.61239(14) 0.37597(9) 0.0169(3) Uani d . 1 . .
C C42 0.28079(18) 0.72304(15) 0.36634(9) 0.0199(3) Uani d . 1 . .
H H42A 0.2460 0.7702 0.3907 0.024 Uiso calc R 1 . .
C C43 0.35491(18) 0.76292(14) 0.32052(9) 0.0194(3) Uani d . 1 . .
H H43A 0.3714 0.8371 0.3153 0.023 Uiso calc R 1 . .
C C44 -0.0172(2) 0.8498(2) 0.00396(11) 0.0289(4) Uani d . 1 . .
H H44A -0.0741 0.8627 -0.0326 0.043 Uiso calc R 1 . .
H H44B -0.0369 0.8816 0.0433 0.043 Uiso calc R 1 . .
H H44C -0.0281 0.7724 0.0051 0.043 Uiso calc R 1 . .
C C45 0.3761(2) 0.26979(19) -0.01170(11) 0.0306(4) Uani d . 1 . .
H H45A 0.3674 0.1993 -0.0352 0.046 Uiso calc R 1 . .
H H45B 0.3677 0.3222 -0.0419 0.046 Uiso calc R 1 . .
H H45C 0.3100 0.2653 0.0148 0.046 Uiso calc R 1 . .
C C46 0.0931(3) 0.65660(19) 0.46065(12) 0.0321(5) Uani d . 1 . .
H H46A 0.0323 0.6268 0.4877 0.048 Uiso calc R 1 . .
H H46B 0.0486 0.6793 0.4231 0.048 Uiso calc R 1 . .
H H46C 0.1558 0.7186 0.4846 0.048 Uiso calc R 1 . .
C C47 0.92190(17) 1.05241(14) 0.18044(8) 0.0171(3) Uani d . 1 . .
C C48 0.67963(17) 1.08893(14) 0.15414(9) 0.0185(3) Uani d . 1 . .
C C49 0.65165(17) 1.06542(15) 0.28060(9) 0.0186(3) Uani d . 1 . .
C C50 0.85955(16) 1.08903(14) 0.38234(8) 0.0162(3) Uani d . 1 . .
C C51 1.02419(17) 0.95376(14) 0.40485(9) 0.0179(3) Uani d . 1 . .
C C52 1.02916(17) 0.92561(14) 0.27472(9) 0.0176(3) Uani d . 1 . .
C C53 0.79256(17) 0.83725(15) 0.18851(9) 0.0188(3) Uani d . 1 . .
C C54 0.80506(18) 0.74630(14) 0.30340(9) 0.0184(3) Uani d . 1 . .
C C55 0.67171(17) 0.89014(14) 0.35021(9) 0.0180(3) Uani d . 1 . .
Cl Cl1 0.38996(8) 0.00599(6) 0.45153(4) 0.04883(17) Uani d . 1 . .
C C56 0.5335(4) 0.0655(3) 0.4924(2) 0.0284(8) Uani d P 0.50 . .
H H56A 0.5271 0.1322 0.5156 0.034 Uiso d PR 0.50 . .
H H56B 0.5897 0.0856 0.4614 0.034 Uiso d PR 0.50 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C48 Ru1 C49 . . 91.37(8) ?
C48 Ru1 C47 . . 91.58(8) ?
C49 Ru1 C47 . . 168.53(7) ?
C48 Ru1 P1 . . 98.15(6) ?
C49 Ru1 P1 . . 94.01(6) ?
C47 Ru1 P1 . . 96.54(5) ?
C48 Ru1 Ru2 . . 169.01(6) ?
C49 Ru1 Ru2 . . 93.12(5) ?
C47 Ru1 Ru2 . . 82.13(5) ?
P1 Ru1 Ru2 . . 91.541(11) ?
C48 Ru1 Ru3 . . 113.33(5) ?
C49 Ru1 Ru3 . . 72.67(5) ?
C47 Ru1 Ru3 . . 96.00(5) ?
P1 Ru1 Ru3 . . 145.643(12) ?
Ru2 Ru1 Ru3 . . 58.799(4) ?
C51 Ru2 C50 . . 91.76(7) ?
C51 Ru2 C52 . . 90.74(7) ?
C50 Ru2 C52 . . 172.03(7) ?
C51 Ru2 P2 . . 103.48(6) ?
C50 Ru2 P2 . . 90.49(5) ?
C52 Ru2 P2 . . 96.28(5) ?
C51 Ru2 Ru3 . . 106.23(6) ?
C50 Ru2 Ru3 . . 92.76(5) ?
C52 Ru2 Ru3 . . 79.28(5) ?
P2 Ru2 Ru3 . . 149.985(12) ?
C51 Ru2 Ru1 . . 164.61(5) ?
C50 Ru2 Ru1 . . 80.11(5) ?
C52 Ru2 Ru1 . . 95.68(5) ?
P2 Ru2 Ru1 . . 89.729(11) ?
Ru3 Ru2 Ru1 . . 61.569(5) ?
C54 Ru3 C53 . . 92.51(8) ?
C54 Ru3 C55 . . 92.73(7) ?
C53 Ru3 C55 . . 174.29(7) ?
C54 Ru3 As1 . . 101.07(6) ?
C53 Ru3 As1 . . 90.73(5) ?
C55 Ru3 As1 . . 90.50(5) ?
C54 Ru3 Ru2 . . 89.15(6) ?
C53 Ru3 Ru2 . . 95.37(5) ?
C55 Ru3 Ru2 . . 82.43(5) ?
As1 Ru3 Ru2 . . 167.874(7) ?
C54 Ru3 Ru1 . . 144.62(6) ?
C53 Ru3 Ru1 . . 75.80(5) ?
C55 Ru3 Ru1 . . 98.58(5) ?
As1 Ru3 Ru1 . . 112.165(7) ?
Ru2 Ru3 Ru1 . . 59.632(5) ?
C38 As1 C26 . . 101.53(7) ?
C38 As1 C32 . . 102.50(7) ?
C26 As1 C32 . . 98.87(7) ?
C38 As1 Ru3 . . 115.32(5) ?
C26 As1 Ru3 . . 122.36(5) ?
C32 As1 Ru3 . . 113.31(5) ?
C7 P1 C1 . . 98.31(8) ?
C7 P1 C13 . . 102.25(8) ?
C1 P1 C13 . . 103.32(8) ?
C7 P1 Ru1 . . 115.19(6) ?
C1 P1 Ru1 . . 120.08(6) ?
C13 P1 Ru1 . . 114.97(5) ?
C14 P2 C20 . . 105.03(8) ?
C14 P2 C13 . . 105.42(8) ?
C20 P2 C13 . . 99.85(8) ?
C14 P2 Ru2 . . 117.27(6) ?
C20 P2 Ru2 . . 117.45(6) ?
C13 P2 Ru2 . . 109.85(6) ?
C29 S1 C44 . . 103.84(10) ?
C35 S2 C45 . . 102.34(10) ?
C41 S3 C46 . . 103.70(10) ?
C6 C1 C2 . . 119.03(16) ?
C6 C1 P1 . . 121.32(13) ?
C2 C1 P1 . . 119.57(14) ?
C3 C2 C1 . . 120.6(2) ?
C3 C2 H2A . . 119.7 ?
C1 C2 H2A . . 119.7 ?
C2 C3 C4 . . 119.9(2) ?
C2 C3 H3A . . 120.0 ?
C4 C3 H3A . . 120.0 ?
C5 C4 C3 . . 120.11(19) ?
C5 C4 H4A . . 119.9 ?
C3 C4 H4A . . 119.9 ?
C4 C5 C6 . . 120.2(2) ?
C4 C5 H5A . . 119.9 ?
C6 C5 H5A . . 119.9 ?
C1 C6 C5 . . 120.17(18) ?
C1 C6 H6A . . 119.9 ?
C5 C6 H6A . . 119.9 ?
C8 C7 C12 . . 118.82(16) ?
C8 C7 P1 . . 124.27(13) ?
C12 C7 P1 . . 116.80(13) ?
C9 C8 C7 . . 120.58(17) ?
C9 C8 H8A . . 119.7 ?
C7 C8 H8A . . 119.7 ?
C10 C9 C8 . . 119.95(18) ?
C10 C9 H9A . . 120.0 ?
C8 C9 H9A . . 120.0 ?
C9 C10 C11 . . 120.15(17) ?
C9 C10 H10A . . 119.9 ?
C11 C10 H10A . . 119.9 ?
C10 C11 C12 . . 120.19(17) ?
C10 C11 H11A . . 119.9 ?
C12 C11 H11A . . 119.9 ?
C11 C12 C7 . . 120.31(17) ?
C11 C12 H12A . . 119.8 ?
C7 C12 H12A . . 119.8 ?
P2 C13 P1 . . 114.22(9) ?
P2 C13 H13A . . 108.7 ?
P1 C13 H13A . . 108.7 ?
P2 C13 H13B . . 108.7 ?
P1 C13 H13B . . 108.7 ?
H13A C13 H13B . . 107.6 ?
C15 C14 C19 . . 119.00(16) ?
C15 C14 P2 . . 122.11(13) ?
C19 C14 P2 . . 118.75(13) ?
C16 C15 C14 . . 120.10(17) ?
C16 C15 H15A . . 119.9 ?
C14 C15 H15A . . 119.9 ?
C17 C16 C15 . . 120.56(18) ?
C17 C16 H16A . . 119.7 ?
C15 C16 H16A . . 119.7 ?
C18 C17 C16 . . 119.55(17) ?
C18 C17 H17A . . 120.2 ?
C16 C17 H17A . . 120.2 ?
C17 C18 C19 . . 120.21(18) ?
C17 C18 H18A . . 119.9 ?
C19 C18 H18A . . 119.9 ?
C18 C19 C14 . . 120.53(16) ?
C18 C19 H19A . . 119.7 ?
C14 C19 H19A . . 119.7 ?
C21 C20 C25 . . 118.92(16) ?
C21 C20 P2 . . 123.14(13) ?
C25 C20 P2 . . 117.93(13) ?
C20 C21 C22 . . 120.29(18) ?
C20 C21 H21A . . 119.9 ?
C22 C21 H21A . . 119.9 ?
C23 C22 C21 . . 120.34(19) ?
C23 C22 H22A . . 119.8 ?
C21 C22 H22A . . 119.8 ?
C22 C23 C24 . . 119.62(18) ?
C22 C23 H23A . . 120.2 ?
C24 C23 H23A . . 120.2 ?
C25 C24 C23 . . 120.51(18) ?
C25 C24 H24A . . 119.7 ?
C23 C24 H24A . . 119.7 ?
C24 C25 C20 . . 120.31(17) ?
C24 C25 H25A . . 119.8 ?
C20 C25 H25A . . 119.8 ?
C27 C26 C31 . . 119.21(16) ?
C27 C26 As1 . . 123.23(13) ?
C31 C26 As1 . . 117.13(13) ?
C26 C27 C28 . . 120.64(17) ?
C26 C27 H27A . . 119.7 ?
C28 C27 H27A . . 119.7 ?
C27 C28 C29 . . 120.00(17) ?
C27 C28 H28A . . 120.0 ?
C29 C28 H28A . . 120.0 ?
C28 C29 C30 . . 119.40(17) ?
C28 C29 S1 . . 124.59(15) ?
C30 C29 S1 . . 116.01(14) ?
C31 C30 C29 . . 120.22(17) ?
C31 C30 H30A . . 119.9 ?
C29 C30 H30A . . 119.9 ?
C30 C31 C26 . . 120.48(17) ?
C30 C31 H31A . . 119.8 ?
C26 C31 H31A . . 119.8 ?
C33 C32 C37 . . 118.60(16) ?
C33 C32 As1 . . 121.12(13) ?
C37 C32 As1 . . 120.26(13) ?
C32 C33 C34 . . 120.79(17) ?
C32 C33 H33A . . 119.6 ?
C34 C33 H33A . . 119.6 ?
C33 C34 C35 . . 120.21(17) ?
C33 C34 H34A . . 119.9 ?
C35 C34 H34A . . 119.9 ?
C34 C35 C36 . . 119.18(16) ?
C34 C35 S2 . . 124.52(15) ?
C36 C35 S2 . . 116.29(14) ?
C37 C36 C35 . . 120.20(17) ?
C37 C36 H36A . . 119.9 ?
C35 C36 H36A . . 119.9 ?
C36 C37 C32 . . 121.00(17) ?
C36 C37 H37A . . 119.5 ?
C32 C37 H37A . . 119.5 ?
C39 C38 C43 . . 118.98(16) ?
C39 C38 As1 . . 120.45(13) ?
C43 C38 As1 . . 120.47(12) ?
C40 C39 C38 . . 120.25(16) ?
C40 C39 H39A . . 119.9 ?
C38 C39 H39A . . 119.9 ?
C39 C40 C41 . . 120.81(16) ?
C39 C40 H40A . . 119.6 ?
C41 C40 H40A . . 119.6 ?
C42 C41 C40 . . 118.98(16) ?
C42 C41 S3 . . 124.37(14) ?
C40 C41 S3 . . 116.61(13) ?
C43 C42 C41 . . 120.27(16) ?
C43 C42 H42A . . 119.9 ?
C41 C42 H42A . . 119.9 ?
C42 C43 C38 . . 120.66(16) ?
C42 C43 H43A . . 119.7 ?
C38 C43 H43A . . 119.7 ?
S1 C44 H44A . . 109.5 ?
S1 C44 H44B . . 109.5 ?
H44A C44 H44B . . 109.5 ?
S1 C44 H44C . . 109.5 ?
H44A C44 H44C . . 109.5 ?
H44B C44 H44C . . 109.5 ?
S2 C45 H45A . . 109.5 ?
S2 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
S2 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
S3 C46 H46A . . 109.5 ?
S3 C46 H46B . . 109.5 ?
H46A C46 H46B . . 109.5 ?
S3 C46 H46C . . 109.5 ?
H46A C46 H46C . . 109.5 ?
H46B C46 H46C . . 109.5 ?
O1 C47 Ru1 . . 174.90(15) ?
O2 C48 Ru1 . . 177.15(17) ?
O3 C49 Ru1 . . 171.53(15) ?
O4 C50 Ru2 . . 175.33(16) ?
O5 C51 Ru2 . . 177.76(17) ?
O6 C52 Ru2 . . 174.50(16) ?
O7 C53 Ru3 . . 171.18(16) ?
O8 C54 Ru3 . . 174.27(17) ?
O9 C55 Ru3 . . 174.68(16) ?
C56 Cl1 C56 . 2_656 60.6(2) ?
Cl1 C56 C56 . 2_656 63.3(3) ?
Cl1 C56 Cl1 . 2_656 119.4(2) ?
C56 C56 Cl1 2_656 2_656 56.1(3) ?
Cl1 C56 H56A . . 107.3 ?
C56 C56 H56A 2_656 . 126.2 ?
Cl1 C56 H56A 2_656 . 107.4 ?
Cl1 C56 H56B . . 107.5 ?
C56 C56 H56B 2_656 . 126.4 ?
Cl1 C56 H56B 2_656 . 107.4 ?
H56A C56 H56B . . 107.2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C48 . 1.8932(18) ?
Ru1 C49 . 1.9365(19) ?
Ru1 C47 . 1.9401(19) ?
Ru1 P1 . 2.3280(4) ?
Ru1 Ru2 . 2.84289(18) ?
Ru1 Ru3 . 2.89756(18) ?
Ru2 C51 . 1.9030(18) ?
Ru2 C50 . 1.9313(17) ?
Ru2 C52 . 1.9340(18) ?
Ru2 P2 . 2.3212(4) ?
Ru2 Ru3 . 2.81836(19) ?
Ru3 C54 . 1.8770(18) ?
Ru3 C53 . 1.9245(19) ?
Ru3 C55 . 1.9445(19) ?
Ru3 As1 . 2.4534(2) ?
As1 C38 . 1.9413(17) ?
As1 C26 . 1.9425(17) ?
As1 C32 . 1.9459(17) ?
P1 C7 . 1.8311(17) ?
P1 C1 . 1.8381(17) ?
P1 C13 . 1.8508(17) ?
P2 C14 . 1.8202(17) ?
P2 C20 . 1.8311(17) ?
P2 C13 . 1.8391(16) ?
S1 C29 . 1.7578(18) ?
S1 C44 . 1.798(2) ?
S2 C35 . 1.7571(18) ?
S2 C45 . 1.789(2) ?
S3 C41 . 1.7629(18) ?
S3 C46 . 1.800(2) ?
O1 C47 . 1.147(2) ?
O2 C48 . 1.147(2) ?
O3 C49 . 1.147(2) ?
O4 C50 . 1.146(2) ?
O5 C51 . 1.141(2) ?
O6 C52 . 1.147(2) ?
O7 C53 . 1.150(2) ?
O8 C54 . 1.151(2) ?
O9 C55 . 1.139(2) ?
C1 C6 . 1.394(3) ?
C1 C2 . 1.406(3) ?
C2 C3 . 1.387(3) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.391(4) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.387(3) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.399(3) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C8 . 1.394(2) ?
C7 C12 . 1.400(2) ?
C8 C9 . 1.391(3) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.383(3) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.384(3) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.389(3) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 C15 . 1.397(2) ?
C14 C19 . 1.399(2) ?
C15 C16 . 1.393(3) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.390(3) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.388(3) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.392(3) ?
C18 H18A . 0.9300 ?
C19 H19A . 0.9300 ?
C20 C21 . 1.391(2) ?
C20 C25 . 1.402(2) ?
C21 C22 . 1.398(3) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.382(3) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.388(3) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.385(3) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 C27 . 1.390(2) ?
C26 C31 . 1.396(2) ?
C27 C28 . 1.394(3) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.396(3) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.398(3) ?
C30 C31 . 1.389(3) ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 C33 . 1.393(3) ?
C32 C37 . 1.397(2) ?
C33 C34 . 1.395(3) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.395(3) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.397(3) ?
C36 C37 . 1.388(3) ?
C36 H36A . 0.9300 ?
C37 H37A . 0.9300 ?
C38 C39 . 1.395(2) ?
C38 C43 . 1.403(2) ?
C39 C40 . 1.389(2) ?
C39 H39A . 0.9300 ?
C40 C41 . 1.399(3) ?
C40 H40A . 0.9300 ?
C41 C42 . 1.397(2) ?
C42 C43 . 1.389(3) ?
C42 H42A . 0.9300 ?
C43 H43A . 0.9300 ?
C44 H44A . 0.9600 ?
C44 H44B . 0.9600 ?
C44 H44C . 0.9600 ?
C45 H45A . 0.9600 ?
C45 H45B . 0.9600 ?
C45 H45C . 0.9600 ?
C46 H46A . 0.9600 ?
C46 H46B . 0.9600 ?
C46 H46C . 0.9600 ?
Cl1 C56 . 1.640(5) ?
Cl1 C56 2_656 1.763(5) ?
C56 Cl1 2_656 1.763(5) ?
C56 H56A . 0.9600 ?
C56 H56B . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C46 H46C O4 2_676 0.96 2.59 3.401(3) 142 yes
C11 H11A Cg1 1_455 0.93 2.91 3.640(2) 137 yes
C18 H18A Cg2 1_655 0.93 2.96 3.652(2) 133 yes
C36 H36A Cg3 1_545 0.93 2.81 3.687(2) 157 yes
C45 H45B Cg4 2_665 0.96 2.90 3.760(3) 150 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C48 Ru1 Ru2 C51 . . . . -86.1(4) ?
C49 Ru1 Ru2 C51 . . . . 27.9(2) ?
C47 Ru1 Ru2 C51 . . . . -141.6(2) ?
P1 Ru1 Ru2 C51 . . . . 122.0(2) ?
Ru3 Ru1 Ru2 C51 . . . . -39.7(2) ?
C48 Ru1 Ru2 C50 . . . . -145.0(3) ?
C49 Ru1 Ru2 C50 . . . . -31.07(8) ?
C47 Ru1 Ru2 C50 . . . . 159.43(7) ?
P1 Ru1 Ru2 C50 . . . . 63.04(5) ?
Ru3 Ru1 Ru2 C50 . . . . -98.62(5) ?
C48 Ru1 Ru2 C52 . . . . 28.1(3) ?
C49 Ru1 Ru2 C52 . . . . 142.10(8) ?
C47 Ru1 Ru2 C52 . . . . -27.41(7) ?
P1 Ru1 Ru2 C52 . . . . -123.80(5) ?
Ru3 Ru1 Ru2 C52 . . . . 74.54(5) ?
C48 Ru1 Ru2 P2 . . . . 124.4(3) ?
C49 Ru1 Ru2 P2 . . . . -121.61(6) ?
C47 Ru1 Ru2 P2 . . . . 68.88(5) ?
P1 Ru1 Ru2 P2 . . . . -27.510(16) ?
Ru3 Ru1 Ru2 P2 . . . . 170.831(12) ?
C48 Ru1 Ru2 Ru3 . . . . -46.4(3) ?
C49 Ru1 Ru2 Ru3 . . . . 67.56(5) ?
C47 Ru1 Ru2 Ru3 . . . . -101.95(5) ?
P1 Ru1 Ru2 Ru3 . . . . 161.659(12) ?
C51 Ru2 Ru3 C54 . . . . -27.64(8) ?
C50 Ru2 Ru3 C54 . . . . -120.28(7) ?
C52 Ru2 Ru3 C54 . . . . 59.99(8) ?
P2 Ru2 Ru3 C54 . . . . 143.95(6) ?
Ru1 Ru2 Ru3 C54 . . . . 162.53(6) ?
C51 Ru2 Ru3 C53 . . . . -120.08(8) ?
C50 Ru2 Ru3 C53 . . . . 147.28(7) ?
C52 Ru2 Ru3 C53 . . . . -32.46(8) ?
P2 Ru2 Ru3 C53 . . . . 51.51(6) ?
Ru1 Ru2 Ru3 C53 . . . . 70.08(5) ?
C51 Ru2 Ru3 C55 . . . . 65.23(8) ?
C50 Ru2 Ru3 C55 . . . . -27.42(7) ?
C52 Ru2 Ru3 C55 . . . . 152.85(7) ?
P2 Ru2 Ru3 C55 . . . . -123.19(6) ?
Ru1 Ru2 Ru3 C55 . . . . -104.61(5) ?
C51 Ru2 Ru3 As1 . . . . 120.05(6) ?
C50 Ru2 Ru3 As1 . . . . 27.40(6) ?
C52 Ru2 Ru3 As1 . . . . -152.33(6) ?
P2 Ru2 Ru3 As1 . . . . -68.37(4) ?
Ru1 Ru2 Ru3 As1 . . . . -49.79(3) ?
C51 Ru2 Ru3 Ru1 . . . . 169.84(6) ?
C50 Ru2 Ru3 Ru1 . . . . 77.19(5) ?
C52 Ru2 Ru3 Ru1 . . . . -102.54(5) ?
P2 Ru2 Ru3 Ru1 . . . . -18.57(2) ?
C48 Ru1 Ru3 C54 . . . . 140.11(11) ?
C49 Ru1 Ru3 C54 . . . . -136.05(11) ?
C47 Ru1 Ru3 C54 . . . . 45.78(11) ?
P1 Ru1 Ru3 C54 . . . . -65.11(10) ?
Ru2 Ru1 Ru3 C54 . . . . -31.24(10) ?
C48 Ru1 Ru3 C53 . . . . 66.27(8) ?
C49 Ru1 Ru3 C53 . . . . 150.11(8) ?
C47 Ru1 Ru3 C53 . . . . -28.06(8) ?
P1 Ru1 Ru3 C53 . . . . -138.95(6) ?
Ru2 Ru1 Ru3 C53 . . . . -105.08(6) ?
C48 Ru1 Ru3 C55 . . . . -112.70(8) ?
C49 Ru1 Ru3 C55 . . . . -28.86(8) ?
C47 Ru1 Ru3 C55 . . . . 152.97(7) ?
P1 Ru1 Ru3 C55 . . . . 42.07(6) ?
Ru2 Ru1 Ru3 C55 . . . . 75.95(5) ?
C48 Ru1 Ru3 As1 . . . . -18.62(6) ?
C49 Ru1 Ru3 As1 . . . . 65.21(6) ?
C47 Ru1 Ru3 As1 . . . . -112.95(5) ?
P1 Ru1 Ru3 As1 . . . . 136.15(2) ?
Ru2 Ru1 Ru3 As1 . . . . 170.025(8) ?
C48 Ru1 Ru3 Ru2 . . . . 171.35(6) ?
C49 Ru1 Ru3 Ru2 . . . . -104.81(6) ?
C47 Ru1 Ru3 Ru2 . . . . 77.02(5) ?
P1 Ru1 Ru3 Ru2 . . . . -33.88(2) ?
C54 Ru3 As1 C38 . . . . 68.63(8) ?
C53 Ru3 As1 C38 . . . . 161.33(8) ?
C55 Ru3 As1 C38 . . . . -24.24(7) ?
Ru2 Ru3 As1 C38 . . . . -78.36(6) ?
Ru1 Ru3 As1 C38 . . . . -123.72(5) ?
C54 Ru3 As1 C26 . . . . -167.21(8) ?
C53 Ru3 As1 C26 . . . . -74.51(8) ?
C55 Ru3 As1 C26 . . . . 99.91(8) ?
Ru2 Ru3 As1 C26 . . . . 45.79(7) ?
Ru1 Ru3 As1 C26 . . . . 0.44(6) ?
C54 Ru3 As1 C32 . . . . -49.05(8) ?
C53 Ru3 As1 C32 . . . . 43.65(8) ?
C55 Ru3 As1 C32 . . . . -141.93(7) ?
Ru2 Ru3 As1 C32 . . . . 163.95(6) ?
Ru1 Ru3 As1 C32 . . . . 118.59(5) ?
C48 Ru1 P1 C7 . . . . 77.35(8) ?
C49 Ru1 P1 C7 . . . . -14.62(8) ?
C47 Ru1 P1 C7 . . . . 169.89(8) ?
Ru2 Ru1 P1 C7 . . . . -107.85(6) ?
Ru3 Ru1 P1 C7 . . . . -79.37(7) ?
C48 Ru1 P1 C1 . . . . -39.84(9) ?
C49 Ru1 P1 C1 . . . . -131.80(8) ?
C47 Ru1 P1 C1 . . . . 52.71(8) ?
Ru2 Ru1 P1 C1 . . . . 134.96(7) ?
Ru3 Ru1 P1 C1 . . . . 163.45(6) ?
C48 Ru1 P1 C13 . . . . -164.13(8) ?
C49 Ru1 P1 C13 . . . . 103.91(8) ?
C47 Ru1 P1 C13 . . . . -71.58(8) ?
Ru2 Ru1 P1 C13 . . . . 10.67(6) ?
Ru3 Ru1 P1 C13 . . . . 39.16(7) ?
C51 Ru2 P2 C14 . . . . 110.73(8) ?
C50 Ru2 P2 C14 . . . . -157.34(8) ?
C52 Ru2 P2 C14 . . . . 18.45(8) ?
Ru3 Ru2 P2 C14 . . . . -60.97(7) ?
Ru1 Ru2 P2 C14 . . . . -77.23(6) ?
C51 Ru2 P2 C20 . . . . -15.90(8) ?
C50 Ru2 P2 C20 . . . . 76.03(8) ?
C52 Ru2 P2 C20 . . . . -108.18(8) ?
Ru3 Ru2 P2 C20 . . . . 172.40(6) ?
Ru1 Ru2 P2 C20 . . . . 156.14(6) ?
C51 Ru2 P2 C13 . . . . -129.00(8) ?
C50 Ru2 P2 C13 . . . . -37.07(8) ?
C52 Ru2 P2 C13 . . . . 138.72(8) ?
Ru3 Ru2 P2 C13 . . . . 59.30(7) ?
Ru1 Ru2 P2 C13 . . . . 43.03(6) ?
C7 P1 C1 C6 . . . . -128.05(16) ?
C13 P1 C1 C6 . . . . 127.18(16) ?
Ru1 P1 C1 C6 . . . . -2.49(18) ?
C7 P1 C1 C2 . . . . 48.68(16) ?
C13 P1 C1 C2 . . . . -56.08(16) ?
Ru1 P1 C1 C2 . . . . 174.25(13) ?
C6 C1 C2 C3 . . . . -0.6(3) ?
P1 C1 C2 C3 . . . . -177.41(17) ?
C1 C2 C3 C4 . . . . 0.5(3) ?
C2 C3 C4 C5 . . . . 0.4(4) ?
C3 C4 C5 C6 . . . . -1.1(4) ?
C2 C1 C6 C5 . . . . -0.2(3) ?
P1 C1 C6 C5 . . . . 176.61(17) ?
C4 C5 C6 C1 . . . . 1.0(3) ?
C1 P1 C7 C8 . . . . -97.59(16) ?
C13 P1 C7 C8 . . . . 8.06(17) ?
Ru1 P1 C7 C8 . . . . 133.47(14) ?
C1 P1 C7 C12 . . . . 78.45(15) ?
C13 P1 C7 C12 . . . . -175.89(13) ?
Ru1 P1 C7 C12 . . . . -50.48(15) ?
C12 C7 C8 C9 . . . . 0.5(3) ?
P1 C7 C8 C9 . . . . 176.51(14) ?
C7 C8 C9 C10 . . . . -0.5(3) ?
C8 C9 C10 C11 . . . . 0.0(3) ?
C9 C10 C11 C12 . . . . 0.6(3) ?
C10 C11 C12 C7 . . . . -0.5(3) ?
C8 C7 C12 C11 . . . . 0.0(3) ?
P1 C7 C12 C11 . . . . -176.27(15) ?
C14 P2 C13 P1 . . . . 82.37(10) ?
C20 P2 C13 P1 . . . . -168.91(9) ?
Ru2 P2 C13 P1 . . . . -44.85(10) ?
C7 P1 C13 P2 . . . . 143.58(9) ?
C1 P1 C13 P2 . . . . -114.69(10) ?
Ru1 P1 C13 P2 . . . . 18.03(11) ?
C20 P2 C14 C15 . . . . -107.16(15) ?
C13 P2 C14 C15 . . . . -2.23(17) ?
Ru2 P2 C14 C15 . . . . 120.35(14) ?
C20 P2 C14 C19 . . . . 77.37(15) ?
C13 P2 C14 C19 . . . . -177.69(14) ?
Ru2 P2 C14 C19 . . . . -55.12(15) ?
C19 C14 C15 C16 . . . . 1.8(3) ?
P2 C14 C15 C16 . . . . -173.62(15) ?
C14 C15 C16 C17 . . . . 0.1(3) ?
C15 C16 C17 C18 . . . . -1.7(3) ?
C16 C17 C18 C19 . . . . 1.3(3) ?
C17 C18 C19 C14 . . . . 0.7(3) ?
C15 C14 C19 C18 . . . . -2.3(3) ?
P2 C14 C19 C18 . . . . 173.33(14) ?
C14 P2 C20 C21 . . . . 2.86(17) ?
C13 P2 C20 C21 . . . . -106.16(16) ?
Ru2 P2 C20 C21 . . . . 135.25(14) ?
C14 P2 C20 C25 . . . . -178.56(13) ?
C13 P2 C20 C25 . . . . 72.41(15) ?
Ru2 P2 C20 C25 . . . . -46.17(15) ?
C25 C20 C21 C22 . . . . -0.1(3) ?
P2 C20 C21 C22 . . . . 178.42(15) ?
C20 C21 C22 C23 . . . . -0.4(3) ?
C21 C22 C23 C24 . . . . 0.2(3) ?
C22 C23 C24 C25 . . . . 0.5(3) ?
C23 C24 C25 C20 . . . . -1.1(3) ?
C21 C20 C25 C24 . . . . 0.9(3) ?
P2 C20 C25 C24 . . . . -177.73(14) ?
C38 As1 C26 C27 . . . . -12.47(16) ?
C32 As1 C26 C27 . . . . 92.33(16) ?
Ru3 As1 C26 C27 . . . . -142.70(13) ?
C38 As1 C26 C31 . . . . 175.20(13) ?
C32 As1 C26 C31 . . . . -80.00(14) ?
Ru3 As1 C26 C31 . . . . 44.97(15) ?
C31 C26 C27 C28 . . . . 1.5(3) ?
As1 C26 C27 C28 . . . . -170.72(14) ?
C26 C27 C28 C29 . . . . 0.9(3) ?
C27 C28 C29 C30 . . . . -2.4(3) ?
C27 C28 C29 S1 . . . . 178.11(15) ?
C44 S1 C29 C28 . . . . -8.66(19) ?
C44 S1 C29 C30 . . . . 171.81(15) ?
C28 C29 C30 C31 . . . . 1.5(3) ?
S1 C29 C30 C31 . . . . -178.91(15) ?
C29 C30 C31 C26 . . . . 0.8(3) ?
C27 C26 C31 C30 . . . . -2.3(3) ?
As1 C26 C31 C30 . . . . 170.35(14) ?
C38 As1 C32 C33 . . . . 82.51(16) ?
C26 As1 C32 C33 . . . . -21.48(16) ?
Ru3 As1 C32 C33 . . . . -152.57(13) ?
C38 As1 C32 C37 . . . . -99.25(15) ?
C26 As1 C32 C37 . . . . 156.76(15) ?
Ru3 As1 C32 C37 . . . . 25.67(16) ?
C37 C32 C33 C34 . . . . -0.1(3) ?
As1 C32 C33 C34 . . . . 178.20(14) ?
C32 C33 C34 C35 . . . . 0.9(3) ?
C33 C34 C35 C36 . . . . -1.2(3) ?
C33 C34 C35 S2 . . . . 178.57(15) ?
C45 S2 C35 C34 . . . . -8.56(19) ?
C45 S2 C35 C36 . . . . 171.24(16) ?
C34 C35 C36 C37 . . . . 0.8(3) ?
S2 C35 C36 C37 . . . . -179.06(15) ?
C35 C36 C37 C32 . . . . 0.1(3) ?
C33 C32 C37 C36 . . . . -0.4(3) ?
As1 C32 C37 C36 . . . . -178.69(15) ?
C26 As1 C38 C39 . . . . 120.99(14) ?
C32 As1 C38 C39 . . . . 19.08(16) ?
Ru3 As1 C38 C39 . . . . -104.52(14) ?
C26 As1 C38 C43 . . . . -62.55(16) ?
C32 As1 C38 C43 . . . . -164.46(15) ?
Ru3 As1 C38 C43 . . . . 71.94(15) ?
C43 C38 C39 C40 . . . . -1.3(3) ?
As1 C38 C39 C40 . . . . 175.19(14) ?
C38 C39 C40 C41 . . . . 2.0(3) ?
C39 C40 C41 C42 . . . . -0.8(3) ?
C39 C40 C41 S3 . . . . -178.72(14) ?
C46 S3 C41 C42 . . . . 14.55(19) ?
C46 S3 C41 C40 . . . . -167.69(15) ?
C40 C41 C42 C43 . . . . -1.1(3) ?
S3 C41 C42 C43 . . . . 176.65(15) ?
C41 C42 C43 C38 . . . . 1.8(3) ?
C39 C38 C43 C42 . . . . -0.6(3) ?
As1 C38 C43 C42 . . . . -177.08(15) ?
