#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/76/2227665.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_2227665
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(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-1κ³C,2κ³C,3κ³C-{tris[4-(methylsulfanyl)phenyl]arsine-3κAs}-triangulo-triruthenium(0))
 dichloromethane monosolvate
;
_journal_coeditor_code           IS2586
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1152
_journal_page_last               m1153
_journal_paper_doi               10.1107/S1600536810032812
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'2[Ru3 (C25 H22 As2) (C21 H21 As S3) (C O)9], C H2 Cl2'
_chemical_formula_moiety         '2(C55 H43 As3 O9 Ru3 S3), C H2 Cl2'
_chemical_formula_sum            'C111 H88 As6 Cl2 O18 Ru6 S6'
_chemical_formula_weight         3029.01
_chemical_name_systematic
;Bis([μ-bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-
1κ³C,2κ³C,3κ³C-{tris[4-
(methylsulfanyl)phenyl]arsine-3κAs}-triangulo-triruthenium(0))
dichloromethane solvate
;
_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                94.5120(10)
_cell_angle_beta                 98.7210(10)
_cell_angle_gamma                102.8550(10)
_cell_formula_units_Z            1
_cell_length_a                   10.88070(10)
_cell_length_b                   12.7494(2)
_cell_length_c                   20.9320(3)
_cell_measurement_reflns_used    9631
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.16
_cell_measurement_theta_min      2.38
_cell_volume                     2779.13(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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            117127
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.793
_exptl_absorpt_correction_T_max  0.6050
_exptl_absorpt_correction_T_min  0.3058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1490
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.526
_refine_diff_density_min         -1.279
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         20038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0279P)²+2.4001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0589
_reflns_number_gt                17668
_reflns_number_total             20038
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2586.cif
_cod_data_source_block           I
_cod_original_cell_volume        2779.13(6)
_cod_database_code               2227665
_cod_database_fobs_code          2227665
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 0.272408(11) 0.645285(10) 0.230778(6) 0.01503(3) Uani d . 1 . .
Ru Ru2 0.216711(11) 0.432162(10) 0.272952(6) 0.01492(3) Uani d . 1 . .
Ru Ru3 0.050554(11) 0.491262(10) 0.169550(6) 0.01399(3) Uani d . 1 . .
As As1 -0.111284(14) 0.325798(13) 0.168266(7) 0.01466(3) Uani d . 1 . .
As As2 0.125920(15) 0.239793(13) 0.239305(8) 0.01539(3) Uani d . 1 . .
As As3 0.488230(15) 0.752248(13) 0.279266(8) 0.01564(3) Uani d . 1 . .
S S1 0.85951(5) 0.58930(4) 0.50245(2) 0.02778(9) Uani d . 1 . .
S S2 0.82705(5) 0.94466(4) 0.06532(2) 0.02522(8) Uani d . 1 . .
S S3 0.46708(5) 1.18489(4) 0.45993(2) 0.02596(9) Uani d . 1 . .
O O1 0.37182(14) 0.59457(11) 0.10436(7) 0.0281(3) Uani d . 1 . .
O O2 0.18120(13) 0.69186(12) 0.35930(7) 0.0282(3) Uani d . 1 . .
O O3 0.14505(14) 0.81485(11) 0.17632(7) 0.0293(3) Uani d . 1 . .
O O4 0.38610(13) 0.40882(12) 0.39778(7) 0.0297(3) Uani d . 1 . .
O O5 0.43725(13) 0.43147(12) 0.19702(7) 0.0293(3) Uani d . 1 . .
O O6 0.01003(12) 0.46497(11) 0.35320(6) 0.0241(2) Uani d . 1 . .
O O7 0.19057(13) 0.36294(11) 0.08694(6) 0.0256(3) Uani d . 1 . .
O O8 -0.05033(15) 0.58824(13) 0.05006(7) 0.0326(3) Uani d . 1 . .
O O9 -0.07202(13) 0.63293(11) 0.25395(7) 0.0277(3) Uani d . 1 . .
C C1 -0.20996(14) 0.31631(13) 0.23781(7) 0.0176(3) Uani d . 1 . .
C C2 -0.27612(16) 0.39622(15) 0.24823(8) 0.0211(3) Uani d . 1 . .
H H2A -0.2797 0.4475 0.2192 0.025 Uiso calc R 1 . .
C C3 -0.33693(17) 0.39948(17) 0.30216(9) 0.0262(3) Uani d . 1 . .
H H3A -0.3807 0.4530 0.3091 0.031 Uiso calc R 1 . .
C C4 -0.33218(18) 0.32294(18) 0.34550(9) 0.0298(4) Uani d . 1 . .
H H4A -0.3716 0.3258 0.3818 0.036 Uiso calc R 1 . .
C C5 -0.26847(19) 0.24217(18) 0.33449(9) 0.0300(4) Uani d . 1 . .
H H5A -0.2669 0.1900 0.3630 0.036 Uiso calc R 1 . .
C C6 -0.20672(16) 0.23860(15) 0.28098(8) 0.0225(3) Uani d . 1 . .
H H6A -0.1635 0.1846 0.2741 0.027 Uiso calc R 1 . .
C C7 -0.23627(15) 0.27070(13) 0.08947(8) 0.0180(3) Uani d . 1 . .
C C8 -0.36537(17) 0.23264(17) 0.08984(9) 0.0264(4) Uani d . 1 . .
H H8A -0.3964 0.2347 0.1288 0.032 Uiso calc R 1 . .
C C9 -0.44931(19) 0.19095(19) 0.03128(10) 0.0336(4) Uani d . 1 . .
H H9A -0.5363 0.1654 0.0314 0.040 Uiso calc R 1 . .
C C10 -0.4035(2) 0.18778(17) -0.02634(9) 0.0315(4) Uani d . 1 . .
H H10A -0.4595 0.1598 -0.0651 0.038 Uiso calc R 1 . .
C C11 -0.2739(2) 0.22627(17) -0.02666(9) 0.0286(4) Uani d . 1 . .
H H11A -0.2431 0.2239 -0.0657 0.034 Uiso calc R 1 . .
C C12 -0.19026(17) 0.26813(15) 0.03093(8) 0.0232(3) Uani d . 1 . .
H H12A -0.1035 0.2945 0.0305 0.028 Uiso calc R 1 . .
C C13 -0.03139(15) 0.20321(13) 0.17414(8) 0.0188(3) Uani d . 1 . .
H H13A -0.0115 0.1823 0.1320 0.023 Uiso calc R 1 . .
H H13B -0.0910 0.1420 0.1857 0.023 Uiso calc R 1 . .
C C14 0.08324(15) 0.14022(14) 0.30329(8) 0.0206(3) Uani d . 1 . .
C C15 0.10313(19) 0.17852(16) 0.36886(9) 0.0261(3) Uani d . 1 . .
H H15A 0.1316 0.2524 0.3822 0.031 Uiso calc R 1 . .
C C16 0.0804(2) 0.10586(19) 0.41471(11) 0.0369(5) Uani d . 1 . .
H H16A 0.0942 0.1313 0.4587 0.044 Uiso calc R 1 . .
C C17 0.0370(2) -0.00437(19) 0.39450(12) 0.0414(5) Uani d . 1 . .
H H17A 0.0211 -0.0526 0.4250 0.050 Uiso calc R 1 . .
C C18 0.0172(2) -0.04314(18) 0.32887(12) 0.0386(5) Uani d . 1 . .
H H18A -0.0116 -0.1171 0.3156 0.046 Uiso calc R 1 . .
C C19 0.04048(19) 0.02893(15) 0.28324(10) 0.0282(4) Uani d . 1 . .
H H19A 0.0277 0.0032 0.2393 0.034 Uiso calc R 1 . .
C C20 0.23331(15) 0.16287(13) 0.19779(8) 0.0187(3) Uani d . 1 . .
C C21 0.18807(17) 0.09077(15) 0.14123(9) 0.0228(3) Uani d . 1 . .
H H21A 0.1032 0.0790 0.1209 0.027 Uiso calc R 1 . .
C C22 0.27003(18) 0.03630(15) 0.11511(9) 0.0256(3) Uani d . 1 . .
H H22A 0.2403 -0.0111 0.0770 0.031 Uiso calc R 1 . .
C C23 0.39557(18) 0.05293(15) 0.14596(10) 0.0267(4) Uani d . 1 . .
H H23A 0.4502 0.0165 0.1285 0.032 Uiso calc R 1 . .
C C24 0.44057(17) 0.12360(15) 0.20272(10) 0.0266(4) Uani d . 1 . .
H H24A 0.5249 0.1338 0.2235 0.032 Uiso calc R 1 . .
C C25 0.35995(16) 0.17917(14) 0.22860(9) 0.0222(3) Uani d . 1 . .
H H25A 0.3904 0.2272 0.2664 0.027 Uiso calc R 1 . .
C C26 0.60497(15) 0.69454(13) 0.33824(8) 0.0179(3) Uani d . 1 . .
C C27 0.55549(16) 0.63871(14) 0.38685(8) 0.0197(3) Uani d . 1 . .
H H27A 0.4676 0.6218 0.3861 0.024 Uiso calc R 1 . .
C C28 0.63538(17) 0.60794(15) 0.43627(8) 0.0219(3) Uani d . 1 . .
H H28A 0.6010 0.5717 0.4687 0.026 Uiso calc R 1 . .
C C29 0.76761(17) 0.63140(14) 0.43739(8) 0.0213(3) Uani d . 1 . .
C C30 0.81776(17) 0.68450(16) 0.38786(9) 0.0238(3) Uani d . 1 . .
H H30A 0.9053 0.6987 0.3875 0.029 Uiso calc R 1 . .
C C31 0.73621(16) 0.71633(15) 0.33882(8) 0.0222(3) Uani d . 1 . .
H H31A 0.7701 0.7525 0.3062 0.027 Uiso calc R 1 . .
C C32 0.59651(15) 0.80848(13) 0.21796(8) 0.0178(3) Uani d . 1 . .
C C33 0.64666(17) 0.73863(14) 0.17964(9) 0.0218(3) Uani d . 1 . .
H H33A 0.6304 0.6653 0.1848 0.026 Uiso calc R 1 . .
C C34 0.72016(17) 0.77792(14) 0.13421(9) 0.0223(3) Uani d . 1 . .
H H34A 0.7547 0.7312 0.1099 0.027 Uiso calc R 1 . .
C C35 0.74257(15) 0.88703(14) 0.12467(8) 0.0190(3) Uani d . 1 . .
C C36 0.69174(15) 0.95644(13) 0.16237(8) 0.0198(3) Uani d . 1 . .
H H36A 0.7053 1.0292 0.1560 0.024 Uiso calc R 1 . .
C C37 0.62117(15) 0.91777(13) 0.20920(8) 0.0188(3) Uani d . 1 . .
H H37A 0.5902 0.9653 0.2349 0.023 Uiso calc R 1 . .
C C38 0.48767(16) 0.88287(13) 0.33407(8) 0.0184(3) Uani d . 1 . .
C C39 0.58630(17) 0.92682(14) 0.38610(9) 0.0227(3) Uani d . 1 . .
H H39A 0.6551 0.8948 0.3942 0.027 Uiso calc R 1 . .
C C40 0.58315(18) 1.01828(15) 0.42624(9) 0.0241(3) Uani d . 1 . .
H H40A 0.6491 1.0464 0.4612 0.029 Uiso calc R 1 . .
C C41 0.48100(17) 1.06787(14) 0.41394(8) 0.0209(3) Uani d . 1 . .
C C42 0.38201(18) 1.02368(15) 0.36202(9) 0.0243(3) Uani d . 1 . .
H H42A 0.3134 1.0559 0.3537 0.029 Uiso calc R 1 . .
C C43 0.38508(17) 0.93201(15) 0.32264(9) 0.0231(3) Uani d . 1 . .
H H43A 0.3181 0.9029 0.2882 0.028 Uiso calc R 1 . .
C C44 1.02155(19) 0.65328(19) 0.49658(10) 0.0325(4) Uani d . 1 . .
H H44A 1.0789 0.6379 0.5322 0.049 Uiso calc R 1 . .
H H44B 1.0310 0.7302 0.4981 0.049 Uiso calc R 1 . .
H H44C 1.0412 0.6259 0.4562 0.049 Uiso calc R 1 . .
C C45 0.9014(2) 0.84077(18) 0.03799(11) 0.0369(5) Uani d . 1 . .
H H45A 0.9614 0.8696 0.0109 0.055 Uiso calc R 1 . .
H H45B 0.8370 0.7813 0.0135 0.055 Uiso calc R 1 . .
H H45C 0.9454 0.8160 0.0749 0.055 Uiso calc R 1 . .
C C46 0.6196(2) 1.22632(18) 0.51238(10) 0.0333(4) Uani d . 1 . .
H H46A 0.6284 1.2970 0.5347 0.050 Uiso calc R 1 . .
H H46B 0.6864 1.2284 0.4870 0.050 Uiso calc R 1 . .
H H46C 0.6258 1.1757 0.5436 0.050 Uiso calc R 1 . .
C C47 0.33234(16) 0.60875(13) 0.15090(8) 0.0202(3) Uani d . 1 . .
C C48 0.21287(16) 0.66581(14) 0.31181(8) 0.0211(3) Uani d . 1 . .
C C49 0.20010(16) 0.75351(14) 0.19592(8) 0.0211(3) Uani d . 1 . .
C C50 0.32480(16) 0.41959(14) 0.35019(8) 0.0211(3) Uani d . 1 . .
C C51 0.35334(16) 0.43797(14) 0.22309(8) 0.0210(3) Uani d . 1 . .
C C52 0.08354(16) 0.45379(13) 0.32111(8) 0.0194(3) Uani d . 1 . .
C C53 0.14356(15) 0.41231(14) 0.11959(8) 0.0193(3) Uani d . 1 . .
C C54 -0.01435(16) 0.55206(14) 0.09543(8) 0.0204(3) Uani d . 1 . .
C C55 -0.02389(15) 0.57839(14) 0.22517(8) 0.0194(3) Uani d . 1 . .
Cl Cl1 0.61496(8) 0.49986(6) 0.04724(4) 0.05599(17) Uani d . 1 . .
C C56 0.4702(4) 0.4354(3) 0.0093(2) 0.0350(9) Uani d P 0.50 . .
H H56A 0.4192 0.4153 0.0420 0.042 Uiso d PR 0.50 . .
H H56B 0.4788 0.3697 -0.0133 0.042 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'
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
C49 Ru1 C48 . . 92.55(7) ?
C49 Ru1 C47 . . 92.99(7) ?
C48 Ru1 C47 . . 173.85(7) ?
C49 Ru1 As3 . . 100.49(5) ?
C48 Ru1 As3 . . 91.09(5) ?
C47 Ru1 As3 . . 90.53(5) ?
C49 Ru1 Ru3 . . 88.60(5) ?
C48 Ru1 Ru3 . . 95.13(5) ?
C47 Ru1 Ru3 . . 82.34(5) ?
As3 Ru1 Ru3 . . 168.757(7) ?
C49 Ru1 Ru2 . . 144.64(5) ?
C48 Ru1 Ru2 . . 75.31(5) ?
C47 Ru1 Ru2 . . 98.60(5) ?
As3 Ru1 Ru2 . . 112.611(6) ?
Ru3 Ru1 Ru2 . . 60.344(4) ?
C50 Ru2 C51 . . 91.86(7) ?
C50 Ru2 C52 . . 91.39(7) ?
C51 Ru2 C52 . . 169.68(7) ?
C50 Ru2 As2 . . 97.87(5) ?
C51 Ru2 As2 . . 93.44(5) ?
C52 Ru2 As2 . . 95.82(5) ?
C50 Ru2 Ru3 . . 168.52(5) ?
C51 Ru2 Ru3 . . 93.27(5) ?
C52 Ru2 Ru3 . . 81.86(5) ?
As2 Ru2 Ru3 . . 92.069(6) ?
C50 Ru2 Ru1 . . 113.64(5) ?
C51 Ru2 Ru1 . . 72.94(5) ?
C52 Ru2 Ru1 . . 96.79(5) ?
As2 Ru2 Ru1 . . 145.613(7) ?
Ru3 Ru2 Ru1 . . 58.448(5) ?
C54 Ru3 C55 . . 90.94(7) ?
C54 Ru3 C53 . . 92.15(7) ?
C55 Ru3 C53 . . 173.56(7) ?
C54 Ru3 As1 . . 103.19(5) ?
C55 Ru3 As1 . . 94.78(5) ?
C53 Ru3 As1 . . 90.01(5) ?
C54 Ru3 Ru1 . . 105.36(5) ?
C55 Ru3 Ru1 . . 80.28(5) ?
C53 Ru3 Ru1 . . 93.45(5) ?
As1 Ru3 Ru1 . . 151.077(7) ?
C54 Ru3 Ru2 . . 163.58(5) ?
C55 Ru3 Ru2 . . 95.58(5) ?
C53 Ru3 Ru2 . . 79.99(5) ?
As1 Ru3 Ru2 . . 91.288(6) ?
Ru1 Ru3 Ru2 . . 61.208(4) ?
C1 As1 C7 . . 104.88(7) ?
C1 As1 C13 . . 103.91(7) ?
C7 As1 C13 . . 98.75(7) ?
C1 As1 Ru3 . . 117.77(5) ?
C7 As1 Ru3 . . 119.04(5) ?
C13 As1 Ru3 . . 109.90(5) ?
C20 As2 C14 . . 97.80(7) ?
C20 As2 C13 . . 101.07(7) ?
C14 As2 C13 . . 102.17(7) ?
C20 As2 Ru2 . . 115.82(5) ?
C14 As2 Ru2 . . 120.82(5) ?
C13 As2 Ru2 . . 115.87(5) ?
C26 As3 C32 . . 101.35(7) ?
C26 As3 C38 . . 99.20(7) ?
C32 As3 C38 . . 102.56(7) ?
C26 As3 Ru1 . . 121.96(5) ?
C32 As3 Ru1 . . 115.64(5) ?
C38 As3 Ru1 . . 113.24(5) ?
C29 S1 C44 . . 103.72(9) ?
C35 S2 C45 . . 103.76(9) ?
C41 S3 C46 . . 102.37(9) ?
C2 C1 C6 . . 119.66(15) ?
C2 C1 As1 . . 118.17(12) ?
C6 C1 As1 . . 121.88(13) ?
C1 C2 C3 . . 120.11(16) ?
C1 C2 H2A . . 119.9 ?
C3 C2 H2A . . 119.9 ?
C4 C3 C2 . . 120.12(18) ?
C4 C3 H3A . . 119.9 ?
C2 C3 H3A . . 119.9 ?
C5 C4 C3 . . 119.80(17) ?
C5 C4 H4A . . 120.1 ?
C3 C4 H4A . . 120.1 ?
C4 C5 C6 . . 120.52(17) ?
C4 C5 H5A . . 119.7 ?
C6 C5 H5A . . 119.7 ?
C5 C6 C1 . . 119.76(17) ?
C5 C6 H6A . . 120.1 ?
C1 C6 H6A . . 120.1 ?
C8 C7 C12 . . 119.96(15) ?
C8 C7 As1 . . 122.94(12) ?
C12 C7 As1 . . 117.08(12) ?
C7 C8 C9 . . 119.75(17) ?
C7 C8 H8A . . 120.1 ?
C9 C8 H8A . . 120.1 ?
C10 C9 C8 . . 120.16(18) ?
C10 C9 H9A . . 119.9 ?
C8 C9 H9A . . 119.9 ?
C9 C10 C11 . . 120.02(17) ?
C9 C10 H10A . . 120.0 ?
C11 C10 H10A . . 120.0 ?
C12 C11 C10 . . 120.23(18) ?
C12 C11 H11A . . 119.9 ?
C10 C11 H11A . . 119.9 ?
C11 C12 C7 . . 119.86(17) ?
C11 C12 H12A . . 120.1 ?
C7 C12 H12A . . 120.1 ?
As1 C13 As2 . . 111.17(8) ?
As1 C13 H13A . . 109.4 ?
As2 C13 H13A . . 109.4 ?
As1 C13 H13B . . 109.4 ?
As2 C13 H13B . . 109.4 ?
H13A C13 H13B . . 108.0 ?
C15 C14 C19 . . 119.98(16) ?
C15 C14 As2 . . 120.30(13) ?
C19 C14 As2 . . 119.58(14) ?
C14 C15 C16 . . 119.89(19) ?
C14 C15 H15A . . 120.1 ?
C16 C15 H15A . . 120.1 ?
C17 C16 C15 . . 119.9(2) ?
C17 C16 H16A . . 120.1 ?
C15 C16 H16A . . 120.1 ?
C16 C17 C18 . . 120.42(19) ?
C16 C17 H17A . . 119.8 ?
C18 C17 H17A . . 119.8 ?
C19 C18 C17 . . 119.8(2) ?
C19 C18 H18A . . 120.1 ?
C17 C18 H18A . . 120.1 ?
C18 C19 C14 . . 120.0(2) ?
C18 C19 H19A . . 120.0 ?
C14 C19 H19A . . 120.0 ?
C21 C20 C25 . . 119.90(16) ?
C21 C20 As2 . . 123.14(12) ?
C25 C20 As2 . . 116.92(13) ?
C20 C21 C22 . . 119.93(16) ?
C20 C21 H21A . . 120.0 ?
C22 C21 H21A . . 120.0 ?
C23 C22 C21 . . 119.83(18) ?
C23 C22 H22A . . 120.1 ?
C21 C22 H22A . . 120.1 ?
C22 C23 C24 . . 120.43(17) ?
C22 C23 H23A . . 119.8 ?
C24 C23 H23A . . 119.8 ?
C23 C24 C25 . . 120.09(17) ?
C23 C24 H24A . . 120.0 ?
C25 C24 H24A . . 120.0 ?
C24 C25 C20 . . 119.82(17) ?
C24 C25 H25A . . 120.1 ?
C20 C25 H25A . . 120.1 ?
C31 C26 C27 . . 118.87(15) ?
C31 C26 As3 . . 123.38(12) ?
C27 C26 As3 . . 117.35(12) ?
C28 C27 C26 . . 120.97(15) ?
C28 C27 H27A . . 119.5 ?
C26 C27 H27A . . 119.5 ?
C27 C28 C29 . . 120.10(16) ?
C27 C28 H28A . . 120.0 ?
C29 C28 H28A . . 120.0 ?
C30 C29 C28 . . 119.37(15) ?
C30 C29 S1 . . 124.46(13) ?
C28 C29 S1 . . 116.17(13) ?
C29 C30 C31 . . 119.87(16) ?
C29 C30 H30A . . 120.1 ?
C31 C30 H30A . . 120.1 ?
C26 C31 C30 . . 120.78(16) ?
C26 C31 H31A . . 119.6 ?
C30 C31 H31A . . 119.6 ?
C37 C32 C33 . . 118.79(15) ?
C37 C32 As3 . . 120.65(12) ?
C33 C32 As3 . . 120.51(12) ?
C34 C33 C32 . . 120.63(16) ?
C34 C33 H33A . . 119.7 ?
C32 C33 H33A . . 119.7 ?
C33 C34 C35 . . 120.42(16) ?
C33 C34 H34A . . 119.8 ?
C35 C34 H34A . . 119.8 ?
C34 C35 C36 . . 118.99(15) ?
C34 C35 S2 . . 124.43(13) ?
C36 C35 S2 . . 116.54(13) ?
C37 C36 C35 . . 120.63(15) ?
C37 C36 H36A . . 119.7 ?
C35 C36 H36A . . 119.7 ?
C36 C37 C32 . . 120.51(15) ?
C36 C37 H37A . . 119.7 ?
C32 C37 H37A . . 119.7 ?
C39 C38 C43 . . 118.88(16) ?
C39 C38 As3 . . 121.12(12) ?
C43 C38 As3 . . 119.97(13) ?
C38 C39 C40 . . 120.73(16) ?
C38 C39 H39A . . 119.6 ?
C40 C39 H39A . . 119.6 ?
C39 C40 C41 . . 120.05(16) ?
C39 C40 H40A . . 120.0 ?
C41 C40 H40A . . 120.0 ?
C42 C41 C40 . . 119.24(16) ?
C42 C41 S3 . . 116.25(13) ?
C40 C41 S3 . . 124.51(14) ?
C43 C42 C41 . . 120.43(16) ?
C43 C42 H42A . . 119.8 ?
C41 C42 H42A . . 119.8 ?
C42 C43 C38 . . 120.67(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 . . 175.32(15) ?
O2 C48 Ru1 . . 171.28(15) ?
O3 C49 Ru1 . . 173.42(16) ?
O4 C50 Ru2 . . 177.06(16) ?
O5 C51 Ru2 . . 172.10(15) ?
O6 C52 Ru2 . . 175.31(14) ?
O7 C53 Ru3 . . 175.10(15) ?
O8 C54 Ru3 . . 177.98(16) ?
O9 C55 Ru3 . . 174.75(15) ?
C56 Cl1 C56 . 2_665 60.8(3) ?
Cl1 C56 C56 . 2_665 62.8(3) ?
Cl1 C56 Cl1 . 2_665 119.2(2) ?
C56 C56 Cl1 2_665 2_665 56.5(3) ?
Cl1 C56 H56A . . 107.5 ?
C56 C56 H56A 2_665 . 127.4 ?
Cl1 C56 H56A 2_665 . 108.3 ?
Cl1 C56 H56B . . 106.7 ?
C56 C56 H56B 2_665 . 125.3 ?
Cl1 C56 H56B 2_665 . 107.3 ?
H56A C56 H56B . . 107.3 ?
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 C49 . 1.8768(17) ?
Ru1 C48 . 1.9246(17) ?
Ru1 C47 . 1.9445(17) ?
Ru1 As3 . 2.4574(2) ?
Ru1 Ru3 . 2.80754(17) ?
Ru1 Ru2 . 2.88731(18) ?
Ru2 C50 . 1.8897(17) ?
Ru2 C51 . 1.9335(18) ?
Ru2 C52 . 1.9414(17) ?
Ru2 As2 . 2.4344(2) ?
Ru2 Ru3 . 2.86304(17) ?
Ru3 C54 . 1.8993(17) ?
Ru3 C55 . 1.9309(17) ?
Ru3 C53 . 1.9338(17) ?
Ru3 As1 . 2.4240(2) ?
As1 C1 . 1.9314(16) ?
As1 C7 . 1.9431(16) ?
As1 C13 . 1.9534(16) ?
As2 C20 . 1.9406(16) ?
As2 C14 . 1.9532(16) ?
As2 C13 . 1.9608(16) ?
As3 C26 . 1.9395(16) ?
As3 C32 . 1.9432(16) ?
As3 C38 . 1.9482(16) ?
S1 C29 . 1.7560(17) ?
S1 C44 . 1.797(2) ?
S2 C35 . 1.7657(17) ?
S2 C45 . 1.798(2) ?
S3 C41 . 1.7589(17) ?
S3 C46 . 1.790(2) ?
O1 C47 . 1.140(2) ?
O2 C48 . 1.149(2) ?
O3 C49 . 1.150(2) ?
O4 C50 . 1.148(2) ?
O5 C51 . 1.147(2) ?
O6 C52 . 1.144(2) ?
O7 C53 . 1.143(2) ?
O8 C54 . 1.142(2) ?
O9 C55 . 1.146(2) ?
C1 C2 . 1.394(2) ?
C1 C6 . 1.395(2) ?
C2 C3 . 1.395(2) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.388(3) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.387(3) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.394(3) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C8 . 1.382(2) ?
C7 C12 . 1.393(2) ?
C8 C9 . 1.400(3) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.374(3) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.388(3) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.384(2) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 C15 . 1.388(3) ?
C14 C19 . 1.400(3) ?
C15 C16 . 1.397(3) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.388(3) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.391(4) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.389(3) ?
C18 H18A . 0.9300 ?
C19 H19A . 0.9300 ?
C20 C21 . 1.393(2) ?
C20 C25 . 1.393(2) ?
C21 C22 . 1.393(2) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.382(3) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.386(3) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.388(3) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 C31 . 1.391(2) ?
C26 C27 . 1.393(2) ?
C27 C28 . 1.387(2) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.399(2) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.396(2) ?
C30 C31 . 1.398(2) ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 C37 . 1.391(2) ?
C32 C33 . 1.404(2) ?
C33 C34 . 1.387(2) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.394(2) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.397(2) ?
C36 C37 . 1.389(2) ?
C36 H36A . 0.9300 ?
C37 H37A . 0.9300 ?
C38 C39 . 1.391(2) ?
C38 C43 . 1.396(2) ?
C39 C40 . 1.392(3) ?
C39 H39A . 0.9300 ?
C40 C41 . 1.397(2) ?
C40 H40A . 0.9300 ?
C41 C42 . 1.392(3) ?
C42 C43 . 1.386(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 . 1.652(5) ?
Cl1 C56 2_665 1.761(5) ?
C56 Cl1 2_665 1.761(5) ?
C56 H56A . 0.9599 ?
C56 H56B . 0.9599 ?
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
C3 H3A Cg1 1_455 0.93 2.59 3.609(2) 134 yes
C10 H10A Cg2 2_565 0.93 2.91 3.788(2) 156 yes
C24 H24A Cg3 1_655 0.93 2.96 3.676(2) 136 yes
C42 H42A Cg4 1_565 0.93 2.81 3.641(2) 155 yes
C46 H46C Cg5 2_676 0.96 2.90 3.742(2) 152 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
C49 Ru1 Ru2 C50 . . . . -138.92(11) ?
C48 Ru1 Ru2 C50 . . . . -65.79(8) ?
C47 Ru1 Ru2 C50 . . . . 113.36(8) ?
As3 Ru1 Ru2 C50 . . . . 19.17(6) ?
Ru3 Ru1 Ru2 C50 . . . . -170.60(6) ?
C49 Ru1 Ru2 C51 . . . . 136.67(10) ?
C48 Ru1 Ru2 C51 . . . . -150.20(7) ?
C47 Ru1 Ru2 C51 . . . . 28.95(7) ?
As3 Ru1 Ru2 C51 . . . . -65.25(5) ?
Ru3 Ru1 Ru2 C51 . . . . 104.98(5) ?
C49 Ru1 Ru2 C52 . . . . -44.40(10) ?
C48 Ru1 Ru2 C52 . . . . 28.73(7) ?
C47 Ru1 Ru2 C52 . . . . -152.12(7) ?
As3 Ru1 Ru2 C52 . . . . 113.69(5) ?
Ru3 Ru1 Ru2 C52 . . . . -76.08(5) ?
C49 Ru1 Ru2 As2 . . . . 66.38(9) ?
C48 Ru1 Ru2 As2 . . . . 139.51(5) ?
C47 Ru1 Ru2 As2 . . . . -41.34(5) ?
As3 Ru1 Ru2 As2 . . . . -135.534(11) ?
Ru3 Ru1 Ru2 As2 . . . . 34.694(11) ?
C49 Ru1 Ru2 Ru3 . . . . 31.68(9) ?
C48 Ru1 Ru2 Ru3 . . . . 104.81(5) ?
C47 Ru1 Ru2 Ru3 . . . . -76.04(5) ?
As3 Ru1 Ru2 Ru3 . . . . -170.228(7) ?
C49 Ru1 Ru3 C54 . . . . 27.93(7) ?
C48 Ru1 Ru3 C54 . . . . 120.36(7) ?
C47 Ru1 Ru3 C54 . . . . -65.28(7) ?
As3 Ru1 Ru3 C54 . . . . -116.29(6) ?
Ru2 Ru1 Ru3 C54 . . . . -169.77(5) ?
C49 Ru1 Ru3 C55 . . . . -60.37(7) ?
C48 Ru1 Ru3 C55 . . . . 32.06(7) ?
C47 Ru1 Ru3 C55 . . . . -153.57(7) ?
As3 Ru1 Ru3 C55 . . . . 155.41(6) ?
Ru2 Ru1 Ru3 C55 . . . . 101.93(5) ?
C49 Ru1 Ru3 C53 . . . . 121.11(7) ?
C48 Ru1 Ru3 C53 . . . . -146.46(7) ?
C47 Ru1 Ru3 C53 . . . . 27.90(7) ?
As3 Ru1 Ru3 C53 . . . . -23.11(6) ?
Ru2 Ru1 Ru3 C53 . . . . -76.59(5) ?
C49 Ru1 Ru3 As1 . . . . -142.62(5) ?
C48 Ru1 Ru3 As1 . . . . -50.18(5) ?
C47 Ru1 Ru3 As1 . . . . 124.18(5) ?
As3 Ru1 Ru3 As1 . . . . 73.16(4) ?
Ru2 Ru1 Ru3 As1 . . . . 19.685(13) ?
C49 Ru1 Ru3 Ru2 . . . . -162.30(5) ?
C48 Ru1 Ru3 Ru2 . . . . -69.87(5) ?
C47 Ru1 Ru3 Ru2 . . . . 104.50(5) ?
As3 Ru1 Ru3 Ru2 . . . . 53.48(3) ?
C50 Ru2 Ru3 C54 . . . . 86.0(3) ?
C51 Ru2 Ru3 C54 . . . . -30.4(2) ?
C52 Ru2 Ru3 C54 . . . . 140.46(19) ?
As2 Ru2 Ru3 C54 . . . . -123.96(19) ?
Ru1 Ru2 Ru3 C54 . . . . 37.28(19) ?
C50 Ru2 Ru3 C55 . . . . -27.0(3) ?
C51 Ru2 Ru3 C55 . . . . -143.36(7) ?
C52 Ru2 Ru3 C55 . . . . 27.50(7) ?
As2 Ru2 Ru3 C55 . . . . 123.08(5) ?
Ru1 Ru2 Ru3 C55 . . . . -75.69(5) ?
C50 Ru2 Ru3 C53 . . . . 148.3(3) ?
C51 Ru2 Ru3 C53 . . . . 31.93(7) ?
C52 Ru2 Ru3 C53 . . . . -157.22(7) ?
As2 Ru2 Ru3 C53 . . . . -61.64(5) ?
Ru1 Ru2 Ru3 C53 . . . . 99.60(5) ?
C50 Ru2 Ru3 As1 . . . . -121.9(3) ?
C51 Ru2 Ru3 As1 . . . . 121.71(5) ?
C52 Ru2 Ru3 As1 . . . . -67.44(5) ?
As2 Ru2 Ru3 As1 . . . . 28.143(7) ?
Ru1 Ru2 Ru3 As1 . . . . -170.622(7) ?
C50 Ru2 Ru3 Ru1 . . . . 48.7(3) ?
C51 Ru2 Ru3 Ru1 . . . . -67.67(5) ?
C52 Ru2 Ru3 Ru1 . . . . 103.18(5) ?
As2 Ru2 Ru3 Ru1 . . . . -161.235(7) ?
C54 Ru3 As1 C1 . . . . -113.07(7) ?
C55 Ru3 As1 C1 . . . . -20.97(7) ?
C53 Ru3 As1 C1 . . . . 154.72(7) ?
Ru1 Ru3 As1 C1 . . . . 57.57(6) ?
Ru2 Ru3 As1 C1 . . . . 74.74(5) ?
C54 Ru3 As1 C7 . . . . 15.56(8) ?
C55 Ru3 As1 C7 . . . . 107.66(7) ?
C53 Ru3 As1 C7 . . . . -76.65(7) ?
Ru1 Ru3 As1 C7 . . . . -173.80(6) ?
Ru2 Ru3 As1 C7 . . . . -156.63(6) ?
C54 Ru3 As1 C13 . . . . 128.27(7) ?
C55 Ru3 As1 C13 . . . . -139.63(7) ?
C53 Ru3 As1 C13 . . . . 36.06(7) ?
Ru1 Ru3 As1 C13 . . . . -61.09(5) ?
Ru2 Ru3 As1 C13 . . . . -43.92(5) ?
C50 Ru2 As2 C20 . . . . -78.97(8) ?
C51 Ru2 As2 C20 . . . . 13.39(7) ?
C52 Ru2 As2 C20 . . . . -171.19(7) ?
Ru3 Ru2 As2 C20 . . . . 106.79(5) ?
Ru1 Ru2 As2 C20 . . . . 77.75(5) ?
C50 Ru2 As2 C14 . . . . 38.70(8) ?
C51 Ru2 As2 C14 . . . . 131.05(7) ?
C52 Ru2 As2 C14 . . . . -53.52(7) ?
Ru3 Ru2 As2 C14 . . . . -135.55(6) ?
Ru1 Ru2 As2 C14 . . . . -164.58(6) ?
C50 Ru2 As2 C13 . . . . 162.89(8) ?
C51 Ru2 As2 C13 . . . . -104.76(7) ?
C52 Ru2 As2 C13 . . . . 70.67(7) ?
Ru3 Ru2 As2 C13 . . . . -11.35(6) ?
Ru1 Ru2 As2 C13 . . . . -40.39(6) ?
C49 Ru1 As3 C26 . . . . 168.10(8) ?
C48 Ru1 As3 C26 . . . . 75.30(8) ?
C47 Ru1 As3 C26 . . . . -98.77(7) ?
Ru3 Ru1 As3 C26 . . . . -48.38(7) ?
Ru2 Ru1 As3 C26 . . . . 0.78(6) ?
C49 Ru1 As3 C32 . . . . -68.08(8) ?
C48 Ru1 As3 C32 . . . . -160.87(7) ?
C47 Ru1 As3 C32 . . . . 25.06(7) ?
Ru3 Ru1 As3 C32 . . . . 75.45(6) ?
Ru2 Ru1 As3 C32 . . . . 124.61(5) ?
C49 Ru1 As3 C38 . . . . 49.87(7) ?
C48 Ru1 As3 C38 . . . . -42.92(7) ?
C47 Ru1 As3 C38 . . . . 143.01(7) ?
Ru3 Ru1 As3 C38 . . . . -166.60(6) ?
Ru2 Ru1 As3 C38 . . . . -117.44(5) ?
C7 As1 C1 C2 . . . . -79.09(14) ?
C13 As1 C1 C2 . . . . 177.73(13) ?
Ru3 As1 C1 C2 . . . . 55.95(14) ?
C7 As1 C1 C6 . . . . 107.05(14) ?
C13 As1 C1 C6 . . . . 3.88(15) ?
Ru3 As1 C1 C6 . . . . -117.91(13) ?
C6 C1 C2 C3 . . . . 1.1(2) ?
As1 C1 C2 C3 . . . . -172.93(13) ?
C1 C2 C3 C4 . . . . -0.2(3) ?
C2 C3 C4 C5 . . . . -1.0(3) ?
C3 C4 C5 C6 . . . . 1.4(3) ?
C4 C5 C6 C1 . . . . -0.6(3) ?
C2 C1 C6 C5 . . . . -0.7(3) ?
As1 C1 C6 C5 . . . . 173.10(14) ?
C1 As1 C7 C8 . . . . -1.40(17) ?
C13 As1 C7 C8 . . . . 105.61(16) ?
Ru3 As1 C7 C8 . . . . -135.74(14) ?
C1 As1 C7 C12 . . . . -179.85(13) ?
C13 As1 C7 C12 . . . . -72.84(14) ?
Ru3 As1 C7 C12 . . . . 45.81(15) ?
C12 C7 C8 C9 . . . . 0.4(3) ?
As1 C7 C8 C9 . . . . -177.99(16) ?
C7 C8 C9 C10 . . . . 0.1(3) ?
C8 C9 C10 C11 . . . . -0.2(3) ?
C9 C10 C11 C12 . . . . -0.1(3) ?
C10 C11 C12 C7 . . . . 0.6(3) ?
C8 C7 C12 C11 . . . . -0.7(3) ?
As1 C7 C12 C11 . . . . 177.76(14) ?
C1 As1 C13 As2 . . . . -83.61(9) ?
C7 As1 C13 As2 . . . . 168.59(8) ?
Ru3 As1 C13 As2 . . . . 43.27(9) ?
C20 As2 C13 As1 . . . . -142.99(8) ?
C14 As2 C13 As1 . . . . 116.42(9) ?
Ru2 As2 C13 As1 . . . . -16.97(10) ?
C20 As2 C14 C15 . . . . 127.08(15) ?
C13 As2 C14 C15 . . . . -129.76(15) ?
Ru2 As2 C14 C15 . . . . 0.66(16) ?
C20 As2 C14 C19 . . . . -48.66(15) ?
C13 As2 C14 C19 . . . . 54.50(15) ?
Ru2 As2 C14 C19 . . . . -175.08(12) ?
C19 C14 C15 C16 . . . . 0.0(3) ?
As2 C14 C15 C16 . . . . -175.76(16) ?
C14 C15 C16 C17 . . . . -0.5(3) ?
C15 C16 C17 C18 . . . . 0.6(4) ?
C16 C17 C18 C19 . . . . -0.2(4) ?
C17 C18 C19 C14 . . . . -0.3(3) ?
C15 C14 C19 C18 . . . . 0.4(3) ?
As2 C14 C19 C18 . . . . 176.16(16) ?
C14 As2 C20 C21 . . . . 95.77(15) ?
C13 As2 C20 C21 . . . . -8.33(16) ?
Ru2 As2 C20 C21 . . . . -134.38(13) ?
C14 As2 C20 C25 . . . . -81.72(14) ?
C13 As2 C20 C25 . . . . 174.18(13) ?
Ru2 As2 C20 C25 . . . . 48.13(14) ?
C25 C20 C21 C22 . . . . -0.9(3) ?
As2 C20 C21 C22 . . . . -178.32(14) ?
C20 C21 C22 C23 . . . . 0.9(3) ?
C21 C22 C23 C24 . . . . -0.1(3) ?
C22 C23 C24 C25 . . . . -0.7(3) ?
C23 C24 C25 C20 . . . . 0.7(3) ?
C21 C20 C25 C24 . . . . 0.1(3) ?
As2 C20 C25 C24 . . . . 177.69(14) ?
C32 As3 C26 C31 . . . . 12.40(16) ?
C38 As3 C26 C31 . . . . -92.50(15) ?
Ru1 As3 C26 C31 . . . . 142.60(13) ?
C32 As3 C26 C27 . . . . -174.97(13) ?
C38 As3 C26 C27 . . . . 80.12(14) ?
Ru1 As3 C26 C27 . . . . -44.78(15) ?
C31 C26 C27 C28 . . . . 1.9(3) ?
As3 C26 C27 C28 . . . . -171.04(13) ?
C26 C27 C28 C29 . . . . -0.9(3) ?
C27 C28 C29 C30 . . . . -0.9(3) ?
C27 C28 C29 S1 . . . . 179.66(14) ?
C44 S1 C29 C30 . . . . 10.75(19) ?
C44 S1 C29 C28 . . . . -169.88(15) ?
C28 C29 C30 C31 . . . . 1.8(3) ?
S1 C29 C30 C31 . . . . -178.86(14) ?
C27 C26 C31 C30 . . . . -1.1(3) ?
As3 C26 C31 C30 . . . . 171.47(14) ?
C29 C30 C31 C26 . . . . -0.8(3) ?
C26 As3 C32 C37 . . . . -120.37(13) ?
C38 As3 C32 C37 . . . . -18.14(15) ?
Ru1 As3 C32 C37 . . . . 105.59(13) ?
C26 As3 C32 C33 . . . . 62.45(14) ?
C38 As3 C32 C33 . . . . 164.68(13) ?
Ru1 As3 C32 C33 . . . . -71.59(14) ?
C37 C32 C33 C34 . . . . 0.4(3) ?
As3 C32 C33 C34 . . . . 177.68(13) ?
C32 C33 C34 C35 . . . . -1.7(3) ?
C33 C34 C35 C36 . . . . 1.1(3) ?
C33 C34 C35 S2 . . . . -176.40(14) ?
C45 S2 C35 C34 . . . . -12.60(18) ?
C45 S2 C35 C36 . . . . 169.84(14) ?
C34 C35 C36 C37 . . . . 0.7(2) ?
S2 C35 C36 C37 . . . . 178.44(13) ?
C35 C36 C37 C32 . . . . -2.0(2) ?
C33 C32 C37 C36 . . . . 1.4(2) ?
As3 C32 C37 C36 . . . . -175.82(12) ?
C26 As3 C38 C39 . . . . 20.61(15) ?
C32 As3 C38 C39 . . . . -83.30(15) ?
Ru1 As3 C38 C39 . . . . 151.38(12) ?
C26 As3 C38 C43 . . . . -157.37(14) ?
C32 As3 C38 C43 . . . . 98.72(14) ?
Ru1 As3 C38 C43 . . . . -26.59(15) ?
C43 C38 C39 C40 . . . . 0.0(3) ?
As3 C38 C39 C40 . . . . -178.00(14) ?
C38 C39 C40 C41 . . . . -0.9(3) ?
C39 C40 C41 C42 . . . . 1.1(3) ?
C39 C40 C41 S3 . . . . -178.79(14) ?
C46 S3 C41 C42 . . . . -171.86(15) ?
C46 S3 C41 C40 . . . . 8.04(18) ?
C40 C41 C42 C43 . . . . -0.5(3) ?
S3 C41 C42 C43 . . . . 179.43(14) ?
C41 C42 C43 C38 . . . . -0.4(3) ?
C39 C38 C43 C42 . . . . 0.6(3) ?
As3 C38 C43 C42 . . . . 178.66(14) ?
