#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/51/2225120.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225120
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
;Bis{[μ-bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-1κ³C,2κ³C,3κ³C-[tris(4-methoxyphenyl)arsine-3κAs]-triangulo-triruthenium(0)}
 dichloromethane solvate
;
_journal_coeditor_code           TK2594
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m180
_journal_page_last               m181
_journal_paper_doi               10.1107/S160053680905315X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'2[Ru3 (C25 H22 As2) (C21 H21 As) (C O)9], C H2 Cl2'
_chemical_formula_moiety         '2(C55 H43 As3 O12 Ru3), C H2 Cl2'
_chemical_formula_sum            'C111 H88 As6 Cl2 O24 Ru6'
_chemical_formula_weight         2932.65
_chemical_name_systematic
;
Bis[μ-bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-
1κ³C,2κ³C,3κ³C-
[tris(4-methoxyphenyl)arsine-3κAs]-triangulo-triruthenium(0)
dichloromethane solvatene-3\kAs]-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                95.9970(10)
_cell_angle_beta                 101.2590(10)
_cell_angle_gamma                103.4510(10)
_cell_formula_units_Z            1
_cell_length_a                   10.76690(10)
_cell_length_b                   12.8159(2)
_cell_length_c                   20.7167(2)
_cell_measurement_reflns_used    9265
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.3
_cell_measurement_theta_min      2.4
_cell_volume                     2692.85(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.025
_diffrn_reflns_av_sigmaI/netI    0.021
_diffrn_reflns_limit_h_max       16
_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            90976
_diffrn_reflns_theta_full        32.5
_diffrn_reflns_theta_max         32.5
_diffrn_reflns_theta_min         2.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.771
_exptl_absorpt_correction_T_max  0.631
_exptl_absorpt_correction_T_min  0.472
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1442
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.73
_refine_diff_density_min         -1.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         19440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.027
_refine_ls_R_factor_gt           0.021
_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)+(0.0223P)²+2.0523P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.050
_refine_ls_wR_factor_ref         0.052
_reflns_number_gt                17122
_reflns_number_total             19440
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2594.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2225120
_cod_database_fobs_code          2225120
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 0.748217(11) 0.570966(9) 0.225464(6) 0.01353(2) Uani d . 1 . .
Ru Ru2 0.923559(11) 0.508430(9) 0.327473(5) 0.01269(2) Uani d . 1 . .
Ru Ru3 0.691165(11) 0.354235(9) 0.257861(6) 0.01359(2) Uani d . 1 . .
As As1 0.850968(14) 0.763617(12) 0.262954(7) 0.01454(3) Uani d . 1 . .
As As2 1.092347(14) 0.673703(12) 0.332126(7) 0.01360(3) Uani d . 1 . .
As As3 0.464318(14) 0.251824(12) 0.208703(7) 0.01442(3) Uani d . 1 . .
O O1 0.53976(12) 0.57997(11) 0.30693(7) 0.0276(3) Uani d . 1 . .
O O2 0.57004(12) 0.59551(11) 0.09838(6) 0.0274(3) Uani d . 1 . .
O O3 0.95014(12) 0.53629(10) 0.14399(6) 0.0227(2) Uani d . 1 . .
O O4 1.02873(12) 0.36228(10) 0.23643(6) 0.0255(2) Uani d . 1 . .
O O5 1.03705(14) 0.40670(12) 0.44375(7) 0.0312(3) Uani d . 1 . .
O O6 0.80068(12) 0.63916(10) 0.41856(6) 0.0243(2) Uani d . 1 . .
O O7 0.60368(13) 0.40703(10) 0.38771(6) 0.0254(2) Uani d . 1 . .
O O8 0.80348(14) 0.17286(11) 0.30517(7) 0.0299(3) Uani d . 1 . .
O O9 0.76267(13) 0.31181(11) 0.12285(6) 0.0281(3) Uani d . 1 . .
O O10 0.09041(12) 0.38956(11) -0.00395(6) 0.0268(3) Uani d . 1 . .
O O11 0.38176(14) -0.16804(10) 0.01920(6) 0.0294(3) Uani d . 1 . .
O O12 0.15856(13) 0.08073(10) 0.41159(6) 0.0268(3) Uani d . 1 . .
C C1 0.89112(15) 0.85813(13) 0.19751(8) 0.0192(3) Uani d . 1 . .
C C2 0.92364(18) 0.97072(14) 0.21647(10) 0.0271(3) Uani d . 1 . .
H H2A 0.9295 1.0002 0.2603 0.033 Uiso calc R 1 . .
C C3 0.9473(2) 1.03876(15) 0.16951(11) 0.0341(4) Uani d . 1 . .
H H3A 0.9688 1.1137 0.1820 0.041 Uiso calc R 1 . .
C C4 0.9387(2) 0.99484(17) 0.10422(10) 0.0345(4) Uani d . 1 . .
H H4A 0.9549 1.0405 0.0731 0.041 Uiso calc R 1 . .
C C5 0.9062(2) 0.88321(16) 0.08523(10) 0.0321(4) Uani d . 1 . .
H H5A 0.9003 0.8542 0.0413 0.038 Uiso calc R 1 . .
C C6 0.88232(17) 0.81427(14) 0.13187(8) 0.0243(3) Uani d . 1 . .
H H6A 0.8606 0.7393 0.1191 0.029 Uiso calc R 1 . .
C C7 0.75040(15) 0.84464(12) 0.30631(8) 0.0180(3) Uani d . 1 . .
C C8 0.80015(17) 0.91164(14) 0.36772(9) 0.0246(3) Uani d . 1 . .
H H8A 0.8858 0.9186 0.3906 0.029 Uiso calc R 1 . .
C C9 0.72189(19) 0.96824(16) 0.39495(10) 0.0296(4) Uani d . 1 . .
H H9A 0.7549 1.0124 0.4362 0.036 Uiso calc R 1 . .
C C10 0.59524(18) 0.95882(15) 0.36063(11) 0.0300(4) Uani d . 1 . .
H H10A 0.5431 0.9968 0.3788 0.036 Uiso calc R 1 . .
C C11 0.54584(17) 0.89312(15) 0.29933(11) 0.0300(4) Uani d . 1 . .
H H11A 0.4607 0.8874 0.2762 0.036 Uiso calc R 1 . .
C C12 0.62267(16) 0.83559(14) 0.27205(9) 0.0245(3) Uani d . 1 . .
H H12A 0.5888 0.7910 0.2309 0.029 Uiso calc R 1 . .
C C13 1.01597(14) 0.79804(12) 0.33037(8) 0.0175(3) Uani d . 1 . .
H H13A 1.0774 0.8594 0.3206 0.021 Uiso calc R 1 . .
H H13B 1.0000 0.8183 0.3738 0.021 Uiso calc R 1 . .
C C14 1.22911(15) 0.72635(12) 0.41276(7) 0.0174(3) Uani d . 1 . .
C C15 1.19085(17) 0.72494(14) 0.47329(8) 0.0230(3) Uani d . 1 . .
H H15A 1.1029 0.6990 0.4738 0.028 Uiso calc R 1 . .
C C16 1.28408(19) 0.76219(15) 0.53279(8) 0.0281(4) Uani d . 1 . .
H H16A 1.2584 0.7620 0.5731 0.034 Uiso calc R 1 . .
C C17 1.41483(19) 0.79953(16) 0.53228(9) 0.0314(4) Uani d . 1 . .
H H17A 1.4773 0.8230 0.5723 0.038 Uiso calc R 1 . .
C C18 1.45289(19) 0.80199(18) 0.47264(10) 0.0360(4) Uani d . 1 . .
H H18A 1.5409 0.8284 0.4725 0.043 Uiso calc R 1 . .
C C19 1.36012(17) 0.76501(16) 0.41236(9) 0.0284(4) Uani d . 1 . .
H H19A 1.3862 0.7663 0.3722 0.034 Uiso calc R 1 . .
C C20 1.18625(14) 0.68358(13) 0.26161(7) 0.0171(3) Uani d . 1 . .
C C21 1.24764(15) 0.60231(13) 0.24738(8) 0.0204(3) Uani d . 1 . .
H H21A 1.2484 0.5479 0.2737 0.024 Uiso calc R 1 . .
C C22 1.30791(16) 0.60245(15) 0.19368(8) 0.0245(3) Uani d . 1 . .
H H22A 1.3482 0.5478 0.1840 0.029 Uiso calc R 1 . .
C C23 1.30788(17) 0.68386(17) 0.15467(8) 0.0278(4) Uani d . 1 . .
H H23A 1.3481 0.6838 0.1188 0.033 Uiso calc R 1 . .
C C24 1.24798(17) 0.76539(16) 0.16906(9) 0.0278(4) Uani d . 1 . .
H H24A 1.2486 0.8202 0.1429 0.033 Uiso calc R 1 . .
C C25 1.18693(15) 0.76580(14) 0.22238(8) 0.0211(3) Uani d . 1 . .
H H25A 1.1467 0.8206 0.2318 0.025 Uiso calc R 1 . .
C C26 0.34264(14) 0.31040(12) 0.15043(7) 0.0162(3) Uani d . 1 . .
C C27 0.38765(15) 0.36185(12) 0.10008(8) 0.0188(3) Uani d . 1 . .
H H27A 0.4766 0.3785 0.1005 0.023 Uiso calc R 1 . .
C C28 0.30132(17) 0.38827(14) 0.04953(8) 0.0218(3) Uani d . 1 . .
H H28A 0.3323 0.4222 0.0161 0.026 Uiso calc R 1 . .
C C29 0.16790(16) 0.36393(13) 0.04880(8) 0.0198(3) Uani d . 1 . .
C C30 0.12182(16) 0.31616(13) 0.10001(8) 0.0204(3) Uani d . 1 . .
H H30A 0.0334 0.3024 0.1007 0.024 Uiso calc R 1 . .
C C31 0.20998(15) 0.28927(13) 0.15017(8) 0.0191(3) Uani d . 1 . .
H H31A 0.1795 0.2566 0.1841 0.023 Uiso calc R 1 . .
C C32 0.44377(15) 0.11738(12) 0.14984(7) 0.0172(3) Uani d . 1 . .
C C33 0.32017(16) 0.06402(13) 0.10922(8) 0.0212(3) Uani d . 1 . .
H H33A 0.2486 0.0921 0.1116 0.025 Uiso calc R 1 . .
C C34 0.30393(18) -0.02992(13) 0.06566(9) 0.0248(3) Uani d . 1 . .
H H34A 0.2217 -0.0646 0.0387 0.030 Uiso calc R 1 . .
C C35 0.41039(18) -0.07291(13) 0.06199(8) 0.0218(3) Uani d . 1 . .
C C36 0.53369(17) -0.02054(13) 0.10135(8) 0.0229(3) Uani d . 1 . .
H H36A 0.6053 -0.0484 0.0987 0.027 Uiso calc R 1 . .
C C37 0.54874(16) 0.07457(13) 0.14493(8) 0.0215(3) Uani d . 1 . .
H H37A 0.6313 0.1099 0.1713 0.026 Uiso calc R 1 . .
C C38 0.36401(14) 0.20005(12) 0.27262(7) 0.0162(3) Uani d . 1 . .
C C39 0.31161(16) 0.26948(13) 0.30952(8) 0.0206(3) Uani d . 1 . .
H H39A 0.3242 0.3416 0.3030 0.025 Uiso calc R 1 . .
C C40 0.24104(17) 0.23255(13) 0.35581(8) 0.0222(3) Uani d . 1 . .
H H40A 0.2043 0.2790 0.3790 0.027 Uiso calc R 1 . .
C C41 0.22564(15) 0.12585(13) 0.36729(8) 0.0195(3) Uani d . 1 . .
C C42 0.28230(15) 0.05689(13) 0.33270(8) 0.0195(3) Uani d . 1 . .
H H42A 0.2754 -0.0136 0.3417 0.023 Uiso calc R 1 . .
C C43 0.34871(15) 0.09347(12) 0.28500(8) 0.0180(3) Uani d . 1 . .
H H43A 0.3834 0.0464 0.2610 0.022 Uiso calc R 1 . .
C C44 0.61826(15) 0.57114(13) 0.27824(8) 0.0195(3) Uani d . 1 . .
C C45 0.63364(15) 0.58388(13) 0.14722(8) 0.0191(3) Uani d . 1 . .
C C46 0.87797(15) 0.54744(12) 0.17636(7) 0.0184(3) Uani d . 1 . .
C C47 0.98557(14) 0.41806(13) 0.26738(8) 0.0180(3) Uani d . 1 . .
C C48 0.99577(15) 0.44521(13) 0.39973(8) 0.0193(3) Uani d . 1 . .
C C49 0.84055(14) 0.58853(12) 0.38269(7) 0.0173(3) Uani d . 1 . .
C C50 0.64039(15) 0.39241(12) 0.34029(8) 0.0191(3) Uani d . 1 . .
C C51 0.75530(16) 0.23904(13) 0.28797(8) 0.0200(3) Uani d . 1 . .
C C52 0.73926(15) 0.33497(13) 0.17343(8) 0.0198(3) Uani d . 1 . .
C C53 -0.04799(18) 0.36350(16) -0.00756(9) 0.0295(4) Uani d . 1 . .
H H53A -0.0915 0.3866 -0.0464 0.044 Uiso calc R 1 . .
H H53B -0.0643 0.4001 0.0316 0.044 Uiso calc R 1 . .
H H53C -0.0807 0.2864 -0.0102 0.044 Uiso calc R 1 . .
C C54 0.4875(2) -0.21280(16) 0.01151(10) 0.0334(4) Uani d . 1 . .
H H54A 0.4543 -0.2822 -0.0167 0.050 Uiso calc R 1 . .
H H54B 0.5335 -0.2216 0.0544 0.050 Uiso calc R 1 . .
H H54C 0.5463 -0.1649 -0.0084 0.050 Uiso calc R 1 . .
C C55 0.0980(2) 0.14896(17) 0.44722(10) 0.0350(4) Uani d . 1 . .
H H55A 0.0518 0.1084 0.4756 0.052 Uiso calc R 1 . .
H H55B 0.0375 0.1742 0.4161 0.052 Uiso calc R 1 . .
H H55C 0.1641 0.2101 0.4738 0.052 Uiso calc R 1 . .
Cl Cl1 0.62312(7) 0.49780(6) 0.54517(3) 0.05626(16) Uani d . 1 . .
C C56 0.5351(4) 0.5640(3) 0.4957(2) 0.0337(8) Uani d P 0.50 . .
H H56A 0.5828 0.5856 0.4626 0.040 Uiso d PR 0.50 . .
H H56B 0.5342 0.6294 0.5225 0.040 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'
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
C45 Ru1 C44 . . 92.98(7) ?
C45 Ru1 C46 . . 91.58(7) ?
C44 Ru1 C46 . . 170.65(6) ?
C45 Ru1 As1 . . 97.62(5) ?
C44 Ru1 As1 . . 92.39(5) ?
C46 Ru1 As1 . . 95.09(4) ?
C45 Ru1 Ru2 . . 167.46(5) ?
C44 Ru1 Ru2 . . 93.41(4) ?
C46 Ru1 Ru2 . . 80.64(4) ?
As1 Ru1 Ru2 . . 92.883(6) ?
C45 Ru1 Ru3 . . 112.52(5) ?
C44 Ru1 Ru3 . . 76.37(5) ?
C46 Ru1 Ru3 . . 94.34(4) ?
As1 Ru1 Ru3 . . 148.088(6) ?
Ru2 Ru1 Ru3 . . 58.806(4) ?
C48 Ru2 C47 . . 90.02(7) ?
C48 Ru2 C49 . . 92.26(6) ?
C47 Ru2 C49 . . 173.16(6) ?
C48 Ru2 As2 . . 103.42(5) ?
C47 Ru2 As2 . . 95.92(5) ?
C49 Ru2 As2 . . 89.82(4) ?
C48 Ru2 Ru3 . . 106.08(5) ?
C47 Ru2 Ru3 . . 77.30(4) ?
C49 Ru2 Ru3 . . 95.87(4) ?
As2 Ru2 Ru3 . . 149.666(6) ?
C48 Ru2 Ru1 . . 164.14(5) ?
C47 Ru2 Ru1 . . 95.47(4) ?
C49 Ru2 Ru1 . . 80.70(4) ?
As2 Ru2 Ru1 . . 90.831(6) ?
Ru3 Ru2 Ru1 . . 60.990(4) ?
C51 Ru3 C52 . . 93.67(7) ?
C51 Ru3 C50 . . 93.66(7) ?
C52 Ru3 C50 . . 172.38(7) ?
C51 Ru3 As3 . . 98.10(5) ?
C52 Ru3 As3 . . 91.69(5) ?
C50 Ru3 As3 . . 89.31(5) ?
C51 Ru3 Ru2 . . 91.66(5) ?
C52 Ru3 Ru2 . . 97.43(4) ?
C50 Ru3 Ru2 . . 80.30(5) ?
As3 Ru3 Ru2 . . 166.195(7) ?
C51 Ru3 Ru1 . . 148.00(5) ?
C52 Ru3 Ru1 . . 76.72(5) ?
C50 Ru3 Ru1 . . 95.92(4) ?
As3 Ru3 Ru1 . . 112.451(6) ?
Ru2 Ru3 Ru1 . . 60.204(4) ?
C7 As1 C1 . . 98.44(7) ?
C7 As1 C13 . . 101.20(6) ?
C1 As1 C13 . . 103.56(6) ?
C7 As1 Ru1 . . 116.04(4) ?
C1 As1 Ru1 . . 119.41(5) ?
C13 As1 Ru1 . . 115.32(4) ?
C20 As2 C14 . . 103.87(6) ?
C20 As2 C13 . . 103.95(7) ?
C14 As2 C13 . . 99.26(6) ?
C20 As2 Ru2 . . 118.46(5) ?
C14 As2 Ru2 . . 118.68(4) ?
C13 As2 Ru2 . . 110.06(4) ?
C26 As3 C38 . . 102.24(6) ?
C26 As3 C32 . . 97.67(6) ?
C38 As3 C32 . . 101.39(6) ?
C26 As3 Ru3 . . 122.47(4) ?
C38 As3 Ru3 . . 114.66(4) ?
C32 As3 Ru3 . . 115.14(5) ?
C29 O10 C53 . . 117.47(14) ?
C35 O11 C54 . . 117.28(15) ?
C41 O12 C55 . . 116.78(14) ?
C6 C1 C2 . . 119.99(15) ?
C6 C1 As1 . . 120.64(12) ?
C2 C1 As1 . . 119.32(13) ?
C3 C2 C1 . . 119.77(18) ?
C3 C2 H2A . . 120.1 ?
C1 C2 H2A . . 120.1 ?
C4 C3 C2 . . 120.10(18) ?
C4 C3 H3A . . 120.0 ?
C2 C3 H3A . . 120.0 ?
C5 C4 C3 . . 120.27(17) ?
C5 C4 H4A . . 119.9 ?
C3 C4 H4A . . 119.9 ?
C4 C5 C6 . . 120.12(18) ?
C4 C5 H5A . . 119.9 ?
C6 C5 H5A . . 119.9 ?
C1 C6 C5 . . 119.75(16) ?
C1 C6 H6A . . 120.1 ?
C5 C6 H6A . . 120.1 ?
C8 C7 C12 . . 119.57(15) ?
C8 C7 As1 . . 123.70(12) ?
C12 C7 As1 . . 116.71(12) ?
C7 C8 C9 . . 120.07(16) ?
C7 C8 H8A . . 120.0 ?
C9 C8 H8A . . 120.0 ?
C10 C9 C8 . . 119.99(17) ?
C10 C9 H9A . . 120.0 ?
C8 C9 H9A . . 120.0 ?
C9 C10 C11 . . 120.13(17) ?
C9 C10 H10A . . 119.9 ?
C11 C10 H10A . . 119.9 ?
C10 C11 C12 . . 120.32(17) ?
C10 C11 H11A . . 119.8 ?
C12 C11 H11A . . 119.8 ?
C11 C12 C7 . . 119.92(16) ?
C11 C12 H12A . . 120.0 ?
C7 C12 H12A . . 120.0 ?
As2 C13 As1 . . 111.05(7) ?
As2 C13 H13A . . 109.4 ?
As1 C13 H13A . . 109.4 ?
As2 C13 H13B . . 109.4 ?
As1 C13 H13B . . 109.4 ?
H13A C13 H13B . . 108.0 ?
C19 C14 C15 . . 119.75(14) ?
C19 C14 As2 . . 123.05(12) ?
C15 C14 As2 . . 117.19(11) ?
C16 C15 C14 . . 119.96(16) ?
C16 C15 H15A . . 120.0 ?
C14 C15 H15A . . 120.0 ?
C17 C16 C15 . . 120.17(17) ?
C17 C16 H16A . . 119.9 ?
C15 C16 H16A . . 119.9 ?
C18 C17 C16 . . 120.05(16) ?
C18 C17 H17A . . 120.0 ?
C16 C17 H17A . . 120.0 ?
C17 C18 C19 . . 120.41(18) ?
C17 C18 H18A . . 119.8 ?
C19 C18 H18A . . 119.8 ?
C14 C19 C18 . . 119.64(17) ?
C14 C19 H19A . . 120.2 ?
C18 C19 H19A . . 120.2 ?
C21 C20 C25 . . 119.72(14) ?
C21 C20 As2 . . 118.52(11) ?
C25 C20 As2 . . 121.64(12) ?
C22 C21 C20 . . 120.06(15) ?
C22 C21 H21A . . 120.0 ?
C20 C21 H21A . . 120.0 ?
C23 C22 C21 . . 120.08(16) ?
C23 C22 H22A . . 120.0 ?
C21 C22 H22A . . 120.0 ?
C22 C23 C24 . . 120.02(15) ?
C22 C23 H23A . . 120.0 ?
C24 C23 H23A . . 120.0 ?
C23 C24 C25 . . 120.41(16) ?
C23 C24 H24A . . 119.8 ?
C25 C24 H24A . . 119.8 ?
C24 C25 C20 . . 119.71(16) ?
C24 C25 H25A . . 120.1 ?
C20 C25 H25A . . 120.1 ?
C31 C26 C27 . . 118.82(14) ?
C31 C26 As3 . . 123.03(11) ?
C27 C26 As3 . . 117.42(11) ?
C28 C27 C26 . . 120.76(14) ?
C28 C27 H27A . . 119.6 ?
C26 C27 H27A . . 119.6 ?
C27 C28 C29 . . 119.88(15) ?
C27 C28 H28A . . 120.1 ?
C29 C28 H28A . . 120.1 ?
O10 C29 C28 . . 115.59(14) ?
O10 C29 C30 . . 124.26(15) ?
C28 C29 C30 . . 120.15(14) ?
C31 C30 C29 . . 119.14(14) ?
C31 C30 H30A . . 120.4 ?
C29 C30 H30A . . 120.4 ?
C26 C31 C30 . . 121.20(14) ?
C26 C31 H31A . . 119.4 ?
C30 C31 H31A . . 119.4 ?
C37 C32 C33 . . 118.66(14) ?
C37 C32 As3 . . 121.90(12) ?
C33 C32 As3 . . 119.40(11) ?
C34 C33 C32 . . 120.45(15) ?
C34 C33 H33A . . 119.8 ?
C32 C33 H33A . . 119.8 ?
C33 C34 C35 . . 120.18(16) ?
C33 C34 H34A . . 119.9 ?
C35 C34 H34A . . 119.9 ?
O11 C35 C36 . . 124.82(16) ?
O11 C35 C34 . . 115.04(15) ?
C36 C35 C34 . . 120.13(15) ?
C35 C36 C37 . . 119.06(15) ?
C35 C36 H36A . . 120.5 ?
C37 C36 H36A . . 120.5 ?
C32 C37 C36 . . 121.52(15) ?
C32 C37 H37A . . 119.2 ?
C36 C37 H37A . . 119.2 ?
C43 C38 C39 . . 118.62(14) ?
C43 C38 As3 . . 120.13(11) ?
C39 C38 As3 . . 121.17(11) ?
C40 C39 C38 . . 121.08(14) ?
C40 C39 H39A . . 119.5 ?
C38 C39 H39A . . 119.5 ?
C41 C40 C39 . . 119.66(15) ?
C41 C40 H40A . . 120.2 ?
C39 C40 H40A . . 120.2 ?
O12 C41 C40 . . 124.78(15) ?
O12 C41 C42 . . 115.45(14) ?
C40 C41 C42 . . 119.76(14) ?
C43 C42 C41 . . 120.07(14) ?
C43 C42 H42A . . 120.0 ?
C41 C42 H42A . . 120.0 ?
C42 C43 C38 . . 120.71(14) ?
C42 C43 H43A . . 119.6 ?
C38 C43 H43A . . 119.6 ?
O1 C44 Ru1 . . 173.41(14) ?
O2 C45 Ru1 . . 175.91(14) ?
O3 C46 Ru1 . . 175.41(13) ?
O4 C47 Ru2 . . 174.12(14) ?
O5 C48 Ru2 . . 178.63(14) ?
O6 C49 Ru2 . . 174.76(13) ?
O7 C50 Ru3 . . 174.62(14) ?
O8 C51 Ru3 . . 174.61(15) ?
O9 C52 Ru3 . . 172.70(14) ?
O10 C53 H53A . . 109.5 ?
O10 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
O10 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
O11 C54 H54A . . 109.5 ?
O11 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
O11 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
O12 C55 H55A . . 109.5 ?
O12 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
O12 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
C56 Cl1 C56 . 2_666 59.4(2) ?
C56 C56 Cl1 2_666 . 60.9(3) ?
C56 C56 Cl1 2_666 2_666 59.7(3) ?
Cl1 C56 Cl1 . 2_666 120.6(2) ?
C56 C56 H56A 2_666 . 126.6 ?
Cl1 C56 H56A . . 107.2 ?
Cl1 C56 H56A 2_666 . 107.2 ?
C56 C56 H56B 2_666 . 126.6 ?
Cl1 C56 H56B . . 107.2 ?
Cl1 C56 H56B 2_666 . 107.2 ?
H56A C56 H56B . . 106.8 ?
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 C45 . 1.8834(16) ?
Ru1 C44 . 1.9369(16) ?
Ru1 C46 . 1.9402(16) ?
Ru1 As1 . 2.43231(19) ?
Ru1 Ru2 . 2.85874(16) ?
Ru1 Ru3 . 2.88091(16) ?
Ru2 C48 . 1.8958(16) ?
Ru2 C47 . 1.9288(16) ?
Ru2 C49 . 1.9344(15) ?
Ru2 As2 . 2.42827(18) ?
Ru2 Ru3 . 2.81795(16) ?
Ru3 C51 . 1.8825(16) ?
Ru3 C52 . 1.9265(16) ?
Ru3 C50 . 1.9413(16) ?
Ru3 As3 . 2.44608(19) ?
As1 C7 . 1.9404(15) ?
As1 C1 . 1.9546(15) ?
As1 C13 . 1.9594(15) ?
As2 C20 . 1.9309(15) ?
As2 C14 . 1.9380(15) ?
As2 C13 . 1.9562(15) ?
As3 C26 . 1.9408(15) ?
As3 C38 . 1.9413(14) ?
As3 C32 . 1.9450(15) ?
O1 C44 . 1.143(2) ?
O2 C45 . 1.1502(19) ?
O3 C46 . 1.1442(19) ?
O4 C47 . 1.1458(19) ?
O5 C48 . 1.145(2) ?
O6 C49 . 1.1449(19) ?
O7 C50 . 1.1419(19) ?
O8 C51 . 1.145(2) ?
O9 C52 . 1.150(2) ?
O10 C29 . 1.3582(19) ?
O10 C53 . 1.434(2) ?
O11 C35 . 1.3639(19) ?
O11 C54 . 1.416(2) ?
O12 C41 . 1.3688(19) ?
O12 C55 . 1.433(2) ?
C1 C6 . 1.393(2) ?
C1 C2 . 1.397(2) ?
C2 C3 . 1.394(3) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.387(3) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.385(3) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.396(2) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C8 . 1.391(2) ?
C7 C12 . 1.391(2) ?
C8 C9 . 1.392(2) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.381(3) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.382(3) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.388(2) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 C19 . 1.384(2) ?
C14 C15 . 1.395(2) ?
C15 C16 . 1.388(2) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.380(3) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.377(3) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.397(2) ?
C18 H18A . 0.9300 ?
C19 H19A . 0.9300 ?
C20 C21 . 1.393(2) ?
C20 C25 . 1.396(2) ?
C21 C22 . 1.393(2) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.385(3) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.386(3) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.391(2) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 C31 . 1.389(2) ?
C26 C27 . 1.396(2) ?
C27 C28 . 1.384(2) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.394(2) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.395(2) ?
C30 C31 . 1.393(2) ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 C37 . 1.382(2) ?
C32 C33 . 1.402(2) ?
C33 C34 . 1.381(2) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.394(2) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.388(2) ?
C36 C37 . 1.396(2) ?
C36 H36A . 0.9300 ?
C37 H37A . 0.9300 ?
C38 C43 . 1.394(2) ?
C38 C39 . 1.398(2) ?
C39 C40 . 1.390(2) ?
C39 H39A . 0.9300 ?
C40 C41 . 1.390(2) ?
C40 H40A . 0.9300 ?
C41 C42 . 1.399(2) ?
C42 C43 . 1.387(2) ?
C42 H42A . 0.9300 ?
C43 H43A . 0.9300 ?
C53 H53A . 0.9600 ?
C53 H53B . 0.9600 ?
C53 H53C . 0.9600 ?
C54 H54A . 0.9600 ?
C54 H54B . 0.9600 ?
C54 H54C . 0.9600 ?
C55 H55A . 0.9600 ?
C55 H55B . 0.9600 ?
C55 H55C . 0.9600 ?
Cl1 C56 . 1.687(4) ?
Cl1 C56 2_666 1.707(4) ?
C56 C56 2_666 1.682(8) ?
C56 Cl1 2_666 1.707(4) ?
C56 H56A . 0.9601 ?
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
C17 H17A Cg1 2_766 0.93 2.92 3.813(2) 161 y
C22 H22A Cg2 1_655 0.93 2.89 3.5863(19) 133 y
C54 H54C Cg3 2_655 0.96 2.87 3.710(2) 147 y
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
C45 Ru1 Ru2 C48 . . . . -86.2(3) ?
C44 Ru1 Ru2 C48 . . . . 34.25(18) ?
C46 Ru1 Ru2 C48 . . . . -138.49(18) ?
As1 Ru1 Ru2 C48 . . . . 126.82(18) ?
Ru3 Ru1 Ru2 C48 . . . . -37.56(18) ?
C45 Ru1 Ru2 C47 . . . . 23.5(2) ?
C44 Ru1 Ru2 C47 . . . . 144.02(7) ?
C46 Ru1 Ru2 C47 . . . . -28.72(6) ?
As1 Ru1 Ru2 C47 . . . . -123.41(5) ?
Ru3 Ru1 Ru2 C47 . . . . 72.21(5) ?
C45 Ru1 Ru2 C49 . . . . -150.8(2) ?
C44 Ru1 Ru2 C49 . . . . -30.26(7) ?
C46 Ru1 Ru2 C49 . . . . 157.00(6) ?
As1 Ru1 Ru2 C49 . . . . 62.30(4) ?
Ru3 Ru1 Ru2 C49 . . . . -102.08(4) ?
C45 Ru1 Ru2 As2 . . . . 119.5(2) ?
C44 Ru1 Ru2 As2 . . . . -119.95(5) ?
C46 Ru1 Ru2 As2 . . . . 67.31(5) ?
As1 Ru1 Ru2 As2 . . . . -27.382(7) ?
Ru3 Ru1 Ru2 As2 . . . . 168.231(6) ?
C45 Ru1 Ru2 Ru3 . . . . -48.7(2) ?
C44 Ru1 Ru2 Ru3 . . . . 71.82(5) ?
C46 Ru1 Ru2 Ru3 . . . . -100.92(5) ?
As1 Ru1 Ru2 Ru3 . . . . 164.387(6) ?
C48 Ru2 Ru3 C51 . . . . -26.04(7) ?
C47 Ru2 Ru3 C51 . . . . 60.26(7) ?
C49 Ru2 Ru3 C51 . . . . -120.10(6) ?
As2 Ru2 Ru3 C51 . . . . 140.13(5) ?
Ru1 Ru2 Ru3 C51 . . . . 163.95(5) ?
C48 Ru2 Ru3 C52 . . . . -119.96(7) ?
C47 Ru2 Ru3 C52 . . . . -33.67(7) ?
C49 Ru2 Ru3 C52 . . . . 145.97(7) ?
As2 Ru2 Ru3 C52 . . . . 46.21(5) ?
Ru1 Ru2 Ru3 C52 . . . . 70.03(5) ?
C48 Ru2 Ru3 C50 . . . . 67.39(7) ?
C47 Ru2 Ru3 C50 . . . . 153.69(7) ?
C49 Ru2 Ru3 C50 . . . . -26.67(6) ?
As2 Ru2 Ru3 C50 . . . . -126.44(5) ?
Ru1 Ru2 Ru3 C50 . . . . -102.62(5) ?
C48 Ru2 Ru3 As3 . . . . 109.10(6) ?
C47 Ru2 Ru3 As3 . . . . -164.60(5) ?
C49 Ru2 Ru3 As3 . . . . 15.04(5) ?
As2 Ru2 Ru3 As3 . . . . -84.73(3) ?
Ru1 Ru2 Ru3 As3 . . . . -60.91(3) ?
C48 Ru2 Ru3 Ru1 . . . . 170.01(5) ?
C47 Ru2 Ru3 Ru1 . . . . -103.69(5) ?
C49 Ru2 Ru3 Ru1 . . . . 75.95(4) ?
As2 Ru2 Ru3 Ru1 . . . . -23.816(12) ?
C45 Ru1 Ru3 C51 . . . . 138.41(10) ?
C44 Ru1 Ru3 C51 . . . . -134.04(10) ?
C46 Ru1 Ru3 C51 . . . . 44.88(10) ?
As1 Ru1 Ru3 C51 . . . . -61.99(9) ?
Ru2 Ru1 Ru3 C51 . . . . -31.43(9) ?
C45 Ru1 Ru3 C52 . . . . 63.08(7) ?
C44 Ru1 Ru3 C52 . . . . 150.64(7) ?
C46 Ru1 Ru3 C52 . . . . -30.44(7) ?
As1 Ru1 Ru3 C52 . . . . -137.32(5) ?
Ru2 Ru1 Ru3 C52 . . . . -106.75(5) ?
C45 Ru1 Ru3 C50 . . . . -114.91(7) ?
C44 Ru1 Ru3 C50 . . . . -27.36(7) ?
C46 Ru1 Ru3 C50 . . . . 151.56(6) ?
As1 Ru1 Ru3 C50 . . . . 44.69(5) ?
Ru2 Ru1 Ru3 C50 . . . . 75.25(5) ?
C45 Ru1 Ru3 As3 . . . . -23.20(5) ?
C44 Ru1 Ru3 As3 . . . . 64.35(5) ?
C46 Ru1 Ru3 As3 . . . . -116.73(4) ?
As1 Ru1 Ru3 As3 . . . . 136.396(12) ?
Ru2 Ru1 Ru3 As3 . . . . 166.961(7) ?
C45 Ru1 Ru3 Ru2 . . . . 169.84(5) ?
C44 Ru1 Ru3 Ru2 . . . . -102.61(5) ?
C46 Ru1 Ru3 Ru2 . . . . 76.31(4) ?
As1 Ru1 Ru3 Ru2 . . . . -30.564(12) ?
C45 Ru1 As1 C7 . . . . 78.69(7) ?
C44 Ru1 As1 C7 . . . . -14.63(7) ?
C46 Ru1 As1 C7 . . . . 170.98(7) ?
Ru2 Ru1 As1 C7 . . . . -108.17(5) ?
Ru3 Ru1 As1 C7 . . . . -82.35(5) ?
C45 Ru1 As1 C1 . . . . -38.88(7) ?
C44 Ru1 As1 C1 . . . . -132.21(7) ?
C46 Ru1 As1 C1 . . . . 53.41(7) ?
Ru2 Ru1 As1 C1 . . . . 134.26(5) ?
Ru3 Ru1 As1 C1 . . . . 160.07(5) ?
C45 Ru1 As1 C13 . . . . -163.25(7) ?
C44 Ru1 As1 C13 . . . . 103.43(7) ?
C46 Ru1 As1 C13 . . . . -70.96(7) ?
Ru2 Ru1 As1 C13 . . . . 9.89(5) ?
Ru3 Ru1 As1 C13 . . . . 35.71(5) ?
C48 Ru2 As2 C20 . . . . 111.52(7) ?
C47 Ru2 As2 C20 . . . . 20.08(7) ?
C49 Ru2 As2 C20 . . . . -156.20(7) ?
Ru3 Ru2 As2 C20 . . . . -54.83(5) ?
Ru1 Ru2 As2 C20 . . . . -75.51(5) ?
C48 Ru2 As2 C14 . . . . -15.89(7) ?
C47 Ru2 As2 C14 . . . . -107.32(7) ?
C49 Ru2 As2 C14 . . . . 76.40(7) ?
Ru3 Ru2 As2 C14 . . . . 177.77(5) ?
Ru1 Ru2 As2 C14 . . . . 157.09(5) ?
C48 Ru2 As2 C13 . . . . -129.15(7) ?
C47 Ru2 As2 C13 . . . . 139.41(7) ?
C49 Ru2 As2 C13 . . . . -36.87(7) ?
Ru3 Ru2 As2 C13 . . . . 64.51(5) ?
Ru1 Ru2 As2 C13 . . . . 43.83(5) ?
C51 Ru3 As3 C26 . . . . -166.95(7) ?
C52 Ru3 As3 C26 . . . . -73.00(7) ?
C50 Ru3 As3 C26 . . . . 99.45(7) ?
Ru2 Ru3 As3 C26 . . . . 58.46(6) ?
Ru1 Ru3 As3 C26 . . . . 3.32(5) ?
C51 Ru3 As3 C38 . . . . 68.39(7) ?
C52 Ru3 As3 C38 . . . . 162.35(7) ?
C50 Ru3 As3 C38 . . . . -25.20(7) ?
Ru2 Ru3 As3 C38 . . . . -66.19(6) ?
Ru1 Ru3 As3 C38 . . . . -121.33(5) ?
C51 Ru3 As3 C32 . . . . -48.70(7) ?
C52 Ru3 As3 C32 . . . . 45.25(7) ?
C50 Ru3 As3 C32 . . . . -142.30(7) ?
Ru2 Ru3 As3 C32 . . . . 176.71(5) ?
Ru1 Ru3 As3 C32 . . . . 121.57(5) ?
C7 As1 C1 C6 . . . . -137.28(14) ?
C13 As1 C1 C6 . . . . 118.97(14) ?
Ru1 As1 C1 C6 . . . . -10.90(15) ?
C7 As1 C1 C2 . . . . 40.08(14) ?
C13 As1 C1 C2 . . . . -63.68(14) ?
Ru1 As1 C1 C2 . . . . 166.45(12) ?
C6 C1 C2 C3 . . . . 0.0(3) ?
As1 C1 C2 C3 . . . . -177.41(15) ?
C1 C2 C3 C4 . . . . -0.1(3) ?
C2 C3 C4 C5 . . . . 0.3(3) ?
C3 C4 C5 C6 . . . . -0.2(3) ?
C2 C1 C6 C5 . . . . 0.0(3) ?
As1 C1 C6 C5 . . . . 177.38(14) ?
C4 C5 C6 C1 . . . . 0.1(3) ?
C1 As1 C7 C8 . . . . -102.24(14) ?
C13 As1 C7 C8 . . . . 3.48(15) ?
Ru1 As1 C7 C8 . . . . 129.08(13) ?
C1 As1 C7 C12 . . . . 76.16(13) ?
C13 As1 C7 C12 . . . . -178.11(13) ?
Ru1 As1 C7 C12 . . . . -52.52(13) ?
C12 C7 C8 C9 . . . . 0.7(3) ?
As1 C7 C8 C9 . . . . 179.07(14) ?
C7 C8 C9 C10 . . . . -0.7(3) ?
C8 C9 C10 C11 . . . . 0.1(3) ?
C9 C10 C11 C12 . . . . 0.5(3) ?
C10 C11 C12 C7 . . . . -0.5(3) ?
C8 C7 C12 C11 . . . . -0.1(3) ?
As1 C7 C12 C11 . . . . -178.59(14) ?
C20 As2 C13 As1 . . . . 83.43(8) ?
C14 As2 C13 As1 . . . . -169.67(8) ?
Ru2 As2 C13 As1 . . . . -44.41(8) ?
C7 As1 C13 As2 . . . . 144.77(8) ?
C1 As1 C13 As2 . . . . -113.60(8) ?
Ru1 As1 C13 As2 . . . . 18.69(9) ?
C20 As2 C14 C19 . . . . 2.79(16) ?
C13 As2 C14 C19 . . . . -104.18(15) ?
Ru2 As2 C14 C19 . . . . 136.78(14) ?
C20 As2 C14 C15 . . . . -177.63(12) ?
C13 As2 C14 C15 . . . . 75.40(13) ?
Ru2 As2 C14 C15 . . . . -43.63(14) ?
C19 C14 C15 C16 . . . . 0.0(3) ?
As2 C14 C15 C16 . . . . -179.62(13) ?
C14 C15 C16 C17 . . . . -0.7(3) ?
C15 C16 C17 C18 . . . . 1.3(3) ?
C16 C17 C18 C19 . . . . -1.2(3) ?
C15 C14 C19 C18 . . . . 0.2(3) ?
As2 C14 C19 C18 . . . . 179.75(16) ?
C17 C18 C19 C14 . . . . 0.4(3) ?
C14 As2 C20 C21 . . . . 79.70(13) ?
C13 As2 C20 C21 . . . . -176.88(12) ?
Ru2 As2 C20 C21 . . . . -54.42(13) ?
C14 As2 C20 C25 . . . . -104.31(13) ?
C13 As2 C20 C25 . . . . -0.89(14) ?
Ru2 As2 C20 C25 . . . . 121.56(12) ?
C25 C20 C21 C22 . . . . -0.8(2) ?
As2 C20 C21 C22 . . . . 175.23(12) ?
C20 C21 C22 C23 . . . . 0.5(2) ?
C21 C22 C23 C24 . . . . 0.1(3) ?
C22 C23 C24 C25 . . . . -0.4(3) ?
C23 C24 C25 C20 . . . . 0.1(3) ?
C21 C20 C25 C24 . . . . 0.5(2) ?
As2 C20 C25 C24 . . . . -175.41(13) ?
C38 As3 C26 C31 . . . . -14.08(14) ?
C32 As3 C26 C31 . . . . 89.40(13) ?
Ru3 As3 C26 C31 . . . . -144.18(11) ?
C38 As3 C26 C27 . . . . 175.92(12) ?
C32 As3 C26 C27 . . . . -80.60(12) ?
Ru3 As3 C26 C27 . . . . 45.83(13) ?
C31 C26 C27 C28 . . . . -2.1(2) ?
As3 C26 C27 C28 . . . . 168.36(12) ?
C26 C27 C28 C29 . . . . 0.3(2) ?
C53 O10 C29 C28 . . . . 178.52(15) ?
C53 O10 C29 C30 . . . . -1.3(2) ?
C27 C28 C29 O10 . . . . -177.84(15) ?
C27 C28 C29 C30 . . . . 2.0(2) ?
O10 C29 C30 C31 . . . . 177.28(15) ?
C28 C29 C30 C31 . . . . -2.6(2) ?
C27 C26 C31 C30 . . . . 1.5(2) ?
As3 C26 C31 C30 . . . . -168.36(12) ?
C29 C30 C31 C26 . . . . 0.8(2) ?
C26 As3 C32 C37 . . . . 141.49(13) ?
C38 As3 C32 C37 . . . . -114.31(13) ?
Ru3 As3 C32 C37 . . . . 10.07(15) ?
C26 As3 C32 C33 . . . . -36.08(13) ?
C38 As3 C32 C33 . . . . 68.13(13) ?
Ru3 As3 C32 C33 . . . . -167.49(11) ?
C37 C32 C33 C34 . . . . 0.5(2) ?
As3 C32 C33 C34 . . . . 178.18(13) ?
C32 C33 C34 C35 . . . . 0.4(3) ?
C54 O11 C35 C36 . . . . -4.1(2) ?
C54 O11 C35 C34 . . . . 177.41(15) ?
C33 C34 C35 O11 . . . . 177.55(15) ?
C33 C34 C35 C36 . . . . -1.0(3) ?
O11 C35 C36 C37 . . . . -177.68(16) ?
C34 C35 C36 C37 . . . . 0.8(2) ?
C33 C32 C37 C36 . . . . -0.8(2) ?
As3 C32 C37 C36 . . . . -178.41(13) ?
C35 C36 C37 C32 . . . . 0.2(3) ?
C26 As3 C38 C43 . . . . 127.25(12) ?
C32 As3 C38 C43 . . . . 26.71(13) ?
Ru3 As3 C38 C43 . . . . -97.99(12) ?
C26 As3 C38 C39 . . . . -56.06(14) ?
C32 As3 C38 C39 . . . . -156.61(13) ?
Ru3 As3 C38 C39 . . . . 78.69(13) ?
C43 C38 C39 C40 . . . . -2.5(2) ?
As3 C38 C39 C40 . . . . -179.28(13) ?
C38 C39 C40 C41 . . . . 2.1(3) ?
C55 O12 C41 C40 . . . . 1.5(2) ?
C55 O12 C41 C42 . . . . -179.25(16) ?
C39 C40 C41 O12 . . . . 179.91(16) ?
C39 C40 C41 C42 . . . . 0.6(2) ?
O12 C41 C42 C43 . . . . 177.84(14) ?
C40 C41 C42 C43 . . . . -2.8(2) ?
C41 C42 C43 C38 . . . . 2.3(2) ?
C39 C38 C43 C42 . . . . 0.3(2) ?
As3 C38 C43 C42 . . . . 177.09(12) ?
C56 Cl1 C56 Cl1 2_666 . . 2_666 -0.003(2) ?
