#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/47/2224778.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_2224778
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
(Benzyldiphenylphosphine-3κP)[μ-bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-1κ³C,2κ³C,3κ³C-triangulo-triruthenium(0)
_journal_coeditor_code           SJ2709
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m73
_journal_page_last               m74
_journal_paper_doi               10.1107/S1600536809053045
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ru3 (C25 H22 As2) (C19 H17 P) (C O)9]'
_chemical_formula_moiety         'C53 H39 As2 O9 P Ru3'
_chemical_formula_sum            'C53 H39 As2 O9 P Ru3'
_chemical_formula_weight         1303.86
_chemical_name_systematic
;
(Benzyldiphenylphosphine-3κP)[μ-bis(diphenylarsino)methane-
1:2κ²As:As']nonacarbonyl-
1κ³C,2κ³C,3κ³C-triangulo-triruthenium(0)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.5970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.4824(2)
_cell_length_b                   35.5978(6)
_cell_length_c                   23.3473(4)
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.19
_cell_measurement_theta_min      2.29
_cell_volume                     9930.5(3)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0958
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            131198
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         1.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.312
_exptl_absorpt_correction_T_max  0.9445
_exptl_absorpt_correction_T_min  0.4020
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5136
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.079
_refine_diff_density_min         -1.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1226
_refine_ls_number_reflns         29004
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1121
_refine_ls_R_factor_gt           0.0615
_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)+(0.0284P)²+35.7105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                18757
_reflns_number_total             29004
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2709.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2224778
_cod_database_fobs_code          2224778
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 Ru1A 0.76373(3) 0.886190(11) 0.500136(19) 0.01238(9) Uani d . 1 . .
Ru Ru2A 0.65234(3) 0.851053(11) 0.375632(19) 0.01265(9) Uani d . 1 . .
Ru Ru3A 0.88866(3) 0.859273(11) 0.436070(19) 0.01141(8) Uani d . 1 . .
As As1A 0.59031(4) 0.886381(14) 0.50761(2) 0.01318(11) Uani d . 1 . .
As As2A 0.46232(4) 0.864590(14) 0.35505(2) 0.01289(11) Uani d . 1 . .
P P1A 1.07682(10) 0.86564(4) 0.51268(6) 0.0133(3) Uani d . 1 . .
O O1A 0.7068(3) 0.96100(10) 0.4261(2) 0.0276(9) Uani d . 1 . .
O O2A 0.9059(3) 0.92692(11) 0.62601(19) 0.0306(10) Uani d . 1 . .
O O3A 0.8498(3) 0.81485(10) 0.58225(18) 0.0223(8) Uani d . 1 . .
O O4A 0.6528(3) 0.78247(10) 0.45562(18) 0.0237(9) Uani d . 1 . .
O O5A 0.6323(3) 0.80072(11) 0.26561(19) 0.0305(10) Uani d . 1 . .
O O6A 0.6353(3) 0.92231(11) 0.29746(19) 0.0277(9) Uani d . 1 . .
O O7A 0.8800(3) 0.93986(10) 0.38671(17) 0.0179(8) Uani d . 1 . .
O O8A 0.9127(3) 0.83289(10) 0.3200(2) 0.0262(9) Uani d . 1 . .
O O9A 0.8950(3) 0.77640(10) 0.47621(18) 0.0223(8) Uani d . 1 . .
C C1A 0.5646(4) 0.92845(14) 0.5528(2) 0.0165(11) Uani d . 1 . .
C C2A 0.6195(4) 0.96206(14) 0.5569(2) 0.0172(11) Uani d . 1 . .
H H1 0.6700 0.9635 0.5402 0.021 Uiso calc R 1 . .
C C3A 0.6007(5) 0.99346(14) 0.5852(3) 0.0205(12) Uani d . 1 . .
H H2 0.6388 1.0157 0.5881 0.025 Uiso calc R 1 . .
C C4A 0.5245(4) 0.99142(16) 0.6092(3) 0.0223(12) Uani d . 1 . .
H H3 0.5111 1.0124 0.6283 0.027 Uiso calc R 1 . .
C C5A 0.4685(4) 0.95852(16) 0.6050(3) 0.0231(12) Uani d . 1 . .
H H4 0.4170 0.9575 0.6210 0.028 Uiso calc R 1 . .
C C6A 0.4878(4) 0.92695(16) 0.5773(3) 0.0229(12) Uani d . 1 . .
H H5 0.4497 0.9047 0.5749 0.027 Uiso calc R 1 . .
C C7A 0.5601(4) 0.84357(14) 0.5489(3) 0.0172(11) Uani d . 1 . .
C C8A 0.6318(4) 0.83769(14) 0.6143(3) 0.0204(12) Uani d . 1 . .
H H6 0.6905 0.8543 0.6369 0.025 Uiso calc R 1 . .
C C9A 0.6155(5) 0.80729(16) 0.6456(3) 0.0282(14) Uani d . 1 . .
H H7 0.6624 0.8036 0.6895 0.034 Uiso calc R 1 . .
C C10A 0.5294(5) 0.78217(16) 0.6117(3) 0.0282(14) Uani d . 1 . .
H H10A 0.5186 0.7617 0.6329 0.034 Uiso calc R 1 . .
C C11A 0.4599(5) 0.78746(15) 0.5468(3) 0.0264(13) Uani d . 1 . .
H H11A 0.4032 0.7702 0.5243 0.032 Uiso calc R 1 . .
C C12A 0.4733(4) 0.81818(14) 0.5147(3) 0.0209(12) Uani d . 1 . .
H H12A 0.4252 0.8219 0.4711 0.025 Uiso calc R 1 . .
C C13A 0.4541(4) 0.89210(13) 0.4250(2) 0.0149(10) Uani d . 1 . .
H H13A 0.3904 0.8831 0.4299 0.018 Uiso calc R 1 . .
H H13B 0.4422 0.9185 0.4139 0.018 Uiso calc R 1 . .
C C14A 0.3564(4) 0.82396(14) 0.3375(2) 0.0166(11) Uani d . 1 . .
C C15A 0.3831(4) 0.78765(13) 0.3276(2) 0.0152(11) Uani d . 1 . .
H H15A 0.4531 0.7826 0.3307 0.018 Uiso calc R 1 . .
C C16A 0.3058(4) 0.75911(14) 0.3130(2) 0.0188(11) Uani d . 1 . .
H H16A 0.3244 0.7347 0.3074 0.023 Uiso calc R 1 . .
C C17A 0.2004(4) 0.76683(15) 0.3067(3) 0.0221(12) Uani d . 1 . .
H H17A 0.1482 0.7476 0.2967 0.026 Uiso calc R 1 . .
C C18A 0.1729(5) 0.80301(15) 0.3154(3) 0.0277(14) Uani d . 1 . .
H H18A 0.1024 0.8082 0.3113 0.033 Uiso calc R 1 . .
C C19A 0.2504(4) 0.83151(15) 0.3301(3) 0.0259(13) Uani d . 1 . .
H H19A 0.2313 0.8559 0.3351 0.031 Uiso calc R 1 . .
C C20A 0.3729(4) 0.89564(14) 0.2808(2) 0.0171(11) Uani d . 1 . .
C C21A 0.3098(4) 0.92572(15) 0.2820(3) 0.0224(12) Uani d . 1 . .
H H21A 0.3100 0.9327 0.3205 0.027 Uiso calc R 1 . .
C C22A 0.2450(5) 0.94595(16) 0.2250(3) 0.0303(14) Uani d . 1 . .
H H22A 0.2036 0.9666 0.2262 0.036 Uiso calc R 1 . .
C C23A 0.2424(5) 0.93566(17) 0.1681(3) 0.0290(14) Uani d . 1 . .
H H23A 0.2003 0.9494 0.1307 0.035 Uiso calc R 1 . .
C C24A 0.3029(5) 0.90466(16) 0.1664(3) 0.0274(13) Uani d . 1 . .
H H24A 0.2993 0.8971 0.1274 0.033 Uiso calc R 1 . .
C C25A 0.3686(4) 0.88493(16) 0.2222(3) 0.0243(12) Uani d . 1 . .
H H25A 0.4102 0.8644 0.2207 0.029 Uiso calc R 1 . .
C C26A 1.1224(4) 0.90445(13) 0.5703(2) 0.0140(10) Uani d . 1 . .
C C27A 1.2271(4) 0.90382(15) 0.6253(3) 0.0196(11) Uani d . 1 . .
H H27A 1.2702 0.8821 0.6355 0.024 Uiso calc R 1 . .
C C28A 1.2671(4) 0.93504(15) 0.6644(3) 0.0231(12) Uani d . 1 . .
H H28A 1.3364 0.9340 0.7010 0.028 Uiso calc R 1 . .
C C29A 1.2053(4) 0.96770(15) 0.6498(3) 0.0214(12) Uani d . 1 . .
H H29A 1.2334 0.9888 0.6760 0.026 Uiso calc R 1 . .
C C30A 1.1011(5) 0.96911(14) 0.5959(3) 0.0214(12) Uani d . 1 . .
H H30A 1.0588 0.9910 0.5859 0.026 Uiso calc R 1 . .
C C31A 1.0604(4) 0.93770(13) 0.5570(2) 0.0165(11) Uani d . 1 . .
H H31A 0.9901 0.9387 0.5212 0.020 Uiso calc R 1 . .
C C32A 1.1319(4) 0.82436(13) 0.5641(3) 0.0162(11) Uani d . 1 . .
C C33A 1.1788(4) 0.79435(14) 0.5468(3) 0.0232(12) Uani d . 1 . .
H H33A 1.1893 0.7962 0.5103 0.028 Uiso calc R 1 . .
C C34A 1.2098(5) 0.76191(16) 0.5831(3) 0.0294(14) Uani d . 1 . .
H H34A 1.2413 0.7422 0.5710 0.035 Uiso calc R 1 . .
C C35A 1.1942(5) 0.75856(15) 0.6374(3) 0.0285(14) Uani d . 1 . .
H H35A 1.2152 0.7366 0.6618 0.034 Uiso calc R 1 . .
C C36A 1.1470(4) 0.78813(15) 0.6554(3) 0.0230(12) Uani d . 1 . .
H H36A 1.1362 0.7861 0.6918 0.028 Uiso calc R 1 . .
C C37A 1.1163(4) 0.82044(14) 0.6186(3) 0.0204(12) Uani d . 1 . .
H H37A 1.0844 0.8401 0.6306 0.024 Uiso calc R 1 . .
C C38A 1.1753(4) 0.87114(14) 0.4783(3) 0.0174(11) Uani d . 1 . .
H H38A 1.2513 0.8711 0.5133 0.021 Uiso calc R 1 . .
H H38B 1.1676 0.8497 0.4508 0.021 Uiso calc R 1 . .
C C39A 1.1569(4) 0.90676(14) 0.4392(3) 0.0174(11) Uani d . 1 . .
C C40A 1.1878(4) 0.94205(15) 0.4688(3) 0.0215(12) Uani d . 1 . .
H H40A 1.2272 0.9438 0.5136 0.026 Uiso calc R 1 . .
C C41A 1.1596(5) 0.97433(15) 0.4316(3) 0.0264(13) Uani d . 1 . .
H H41A 1.1774 0.9977 0.4518 0.032 Uiso calc R 1 . .
C C42A 1.1057(5) 0.97248(16) 0.3650(3) 0.0270(13) Uani d . 1 . .
H H42A 1.0862 0.9944 0.3405 0.032 Uiso calc R 1 . .
C C43A 1.0811(5) 0.93808(16) 0.3351(3) 0.0266(13) Uani d . 1 . .
H H43A 1.0487 0.9367 0.2902 0.032 Uiso calc R 1 . .
C C44A 1.1044(4) 0.90529(15) 0.3716(3) 0.0198(12) Uani d . 1 . .
H H44A 1.0848 0.8821 0.3508 0.024 Uiso calc R 1 . .
C C45A 0.7269(4) 0.93195(15) 0.4502(3) 0.0190(12) Uani d . 1 . .
C C46A 0.8544(4) 0.91159(15) 0.5775(3) 0.0185(11) Uani d . 1 . .
C C47A 0.8161(4) 0.83991(15) 0.5474(3) 0.0170(11) Uani d . 1 . .
C C48A 0.6587(4) 0.80877(15) 0.4286(3) 0.0193(12) Uani d . 1 . .
C C49A 0.6364(4) 0.82009(15) 0.3053(3) 0.0197(12) Uani d . 1 . .
C C50A 0.6473(4) 0.89623(15) 0.3288(3) 0.0198(12) Uani d . 1 . .
C C51A 0.8788(4) 0.91046(14) 0.4065(2) 0.0137(10) Uani d . 1 . .
C C52A 0.9062(4) 0.84217(13) 0.3651(3) 0.0161(11) Uani d . 1 . .
C C53A 0.8882(4) 0.80748(15) 0.4629(2) 0.0161(11) Uani d . 1 . .
Ru Ru1B 0.42063(3) 0.640248(11) 0.520022(19) 0.01315(9) Uani d . 1 . .
Ru Ru2B 0.30365(3) 0.605718(11) 0.395962(19) 0.01302(9) Uani d . 1 . .
Ru Ru3B 0.18372(3) 0.637768(11) 0.460014(19) 0.01191(8) Uani d . 1 . .
As As1B 0.47520(4) 0.605726(14) 0.38588(2) 0.01345(11) Uani d . 1 . .
As As2B 0.60936(4) 0.625216(14) 0.53966(2) 0.01376(11) Uani d . 1 . .
P P1B -0.00699(10) 0.63514(4) 0.38705(6) 0.0135(3) Uani d . 1 . .
O O1B 0.4252(3) 0.70809(10) 0.43994(18) 0.0231(9) Uani d . 1 . .
O O2B 0.4427(3) 0.68995(11) 0.6308(2) 0.0325(10) Uani d . 1 . .
O O3B 0.4406(3) 0.56760(11) 0.59609(19) 0.0288(10) Uani d . 1 . .
O O4B 0.3627(4) 0.53067(11) 0.4695(2) 0.0338(10) Uani d . 1 . .
O O5B 0.1563(3) 0.56302(11) 0.27274(19) 0.0287(9) Uani d . 1 . .
O O6B 0.2145(3) 0.67645(10) 0.31295(18) 0.0206(8) Uani d . 1 . .
O O7B 0.1899(3) 0.72067(10) 0.42444(19) 0.0235(9) Uani d . 1 . .
O O8B 0.1584(3) 0.66850(10) 0.57293(19) 0.0258(9) Uani d . 1 . .
O O9B 0.1874(3) 0.55697(10) 0.50761(18) 0.0217(8) Uani d . 1 . .
C C1B 0.4941(4) 0.56427(14) 0.3373(2) 0.0156(11) Uani d . 1 . .
C C2B 0.4412(4) 0.53019(14) 0.3351(3) 0.0199(12) Uani d . 1 . .
H H8 0.3959 0.5281 0.3552 0.024 Uiso calc R 1 . .
C C3B 0.4553(4) 0.49962(14) 0.3036(3) 0.0199(12) Uani d . 1 . .
H H9 0.4195 0.4771 0.3025 0.024 Uiso calc R 1 . .
C C4B 0.5229(4) 0.50231(15) 0.2733(3) 0.0221(12) Uani d . 1 . .
H H10 0.5330 0.4816 0.2521 0.027 Uiso calc R 1 . .
C C5B 0.5748(4) 0.53597(15) 0.2749(3) 0.0229(12) Uani d . 1 . .
H H11 0.6195 0.5379 0.2544 0.027 Uiso calc R 1 . .
C C6B 0.5612(4) 0.56703(14) 0.3067(3) 0.0185(11) Uani d . 1 . .
H H12 0.5968 0.5895 0.3076 0.022 Uiso calc R 1 . .
C C7B 0.5030(4) 0.64876(13) 0.3448(2) 0.0141(10) Uani d . 1 . .
C C8B 0.4311(4) 0.65480(15) 0.2796(3) 0.0217(12) Uani d . 1 . .
H H13 0.3721 0.6383 0.2576 0.026 Uiso calc R 1 . .
C C9B 0.4457(5) 0.68492(15) 0.2470(3) 0.0249(13) Uani d . 1 . .
H H14 0.3972 0.6886 0.2034 0.030 Uiso calc R 1 . .
C C10B 0.5342(5) 0.70981(15) 0.2803(3) 0.0279(14) Uani d . 1 . .
H H10B 0.5454 0.7300 0.2586 0.033 Uiso calc R 1 . .
C C11B 0.6051(5) 0.70449(15) 0.3454(3) 0.0299(14) Uani d . 1 . .
H H11B 0.6630 0.7214 0.3676 0.036 Uiso calc R 1 . .
C C12B 0.5899(4) 0.67398(14) 0.3777(3) 0.0203(12) Uani d . 1 . .
H H12B 0.6379 0.6704 0.4215 0.024 Uiso calc R 1 . .
C C13B 0.6145(4) 0.60009(14) 0.4663(2) 0.0157(11) Uani d . 1 . .
H H13C 0.6757 0.6105 0.4604 0.019 Uiso calc R 1 . .
H H13D 0.6294 0.5736 0.4760 0.019 Uiso calc R 1 . .
C C14B 0.7160(4) 0.66613(13) 0.5608(2) 0.0143(10) Uani d . 1 . .
C C15B 0.8239(4) 0.65883(17) 0.5704(3) 0.0290(14) Uani d . 1 . .
H H15B 0.8446 0.6345 0.5663 0.035 Uiso calc R 1 . .
C C16B 0.9001(5) 0.68764(16) 0.5862(3) 0.0333(15) Uani d . 1 . .
H H16B 0.9715 0.6828 0.5912 0.040 Uiso calc R 1 . .
C C17B 0.8714(5) 0.72387(16) 0.5945(3) 0.0262(13) Uani d . 1 . .
H H17B 0.9232 0.7433 0.6052 0.031 Uiso calc R 1 . .
C C18B 0.7661(4) 0.73080(14) 0.5868(3) 0.0190(11) Uani d . 1 . .
H H18B 0.7466 0.7550 0.5928 0.023 Uiso calc R 1 . .
C C19B 0.6876(4) 0.70188(14) 0.5702(3) 0.0183(11) Uani d . 1 . .
H H19B 0.6165 0.7068 0.5655 0.022 Uiso calc R 1 . .
C C20B 0.6949(4) 0.59094(15) 0.6106(2) 0.0172(11) Uani d . 1 . .
C C21B 0.7132(5) 0.55357(14) 0.6023(3) 0.0232(12) Uani d . 1 . .
H H21B 0.6862 0.5438 0.5609 0.028 Uiso calc R 1 . .
C C22B 0.7715(5) 0.53071(16) 0.6554(3) 0.0273(14) Uani d . 1 . .
H H22B 0.7833 0.5056 0.6492 0.033 Uiso calc R 1 . .
C C23B 0.8123(5) 0.54455(17) 0.7169(3) 0.0295(14) Uani d . 1 . .
H H23B 0.8514 0.5291 0.7525 0.035 Uiso calc R 1 . .
C C24B 0.7941(5) 0.58221(17) 0.7253(3) 0.0321(15) Uani d . 1 . .
H H24B 0.8215 0.5919 0.7668 0.038 Uiso calc R 1 . .
C C25B 0.7365(5) 0.60513(15) 0.6732(3) 0.0272(13) Uani d . 1 . .
H H25B 0.7250 0.6302 0.6796 0.033 Uiso calc R 1 . .
C C26B -0.0677(4) 0.59789(14) 0.3264(2) 0.0148(10) Uani d . 1 . .
C C27B -0.1726(4) 0.60277(16) 0.2732(3) 0.0217(12) Uani d . 1 . .
H H27B -0.2098 0.6256 0.2672 0.026 Uiso calc R 1 . .
C C28B -0.2215(4) 0.57395(15) 0.2294(3) 0.0218(12) Uani d . 1 . .
H H28B -0.2916 0.5774 0.1942 0.026 Uiso calc R 1 . .
C C29B -0.1667(5) 0.54020(16) 0.2378(3) 0.0243(13) Uani d . 1 . .
H H29B -0.1995 0.5210 0.2079 0.029 Uiso calc R 1 . .
C C30B -0.0630(4) 0.53481(15) 0.2905(3) 0.0220(12) Uani d . 1 . .
H H30B -0.0264 0.5119 0.2965 0.026 Uiso calc R 1 . .
C C31B -0.0134(4) 0.56385(14) 0.3346(3) 0.0183(11) Uani d . 1 . .
H H31B 0.0567 0.5603 0.3699 0.022 Uiso calc R 1 . .
C C32B -0.0570(4) 0.67746(14) 0.3375(2) 0.0171(11) Uani d . 1 . .
C C33B -0.0476(4) 0.68106(15) 0.2808(3) 0.0191(11) Uani d . 1 . .
H H33B -0.0194 0.6611 0.2671 0.023 Uiso calc R 1 . .
C C34B -0.0793(4) 0.71365(14) 0.2446(3) 0.0216(12) Uani d . 1 . .
H H34B -0.0728 0.7155 0.2068 0.026 Uiso calc R 1 . .
C C35B -0.1208(5) 0.74337(15) 0.2649(3) 0.0269(14) Uani d . 1 . .
H H35B -0.1425 0.7653 0.2406 0.032 Uiso calc R 1 . .
C C36B -0.1305(5) 0.74073(15) 0.3214(3) 0.0254(13) Uani d . 1 . .
H H36B -0.1584 0.7609 0.3349 0.030 Uiso calc R 1 . .
C C37B -0.0985(4) 0.70808(14) 0.3577(3) 0.0213(12) Uani d . 1 . .
H H37B -0.1047 0.7064 0.3957 0.026 Uiso calc R 1 . .
C C38B -0.1007(4) 0.63267(14) 0.4252(3) 0.0179(11) Uani d . 1 . .
H H38C -0.0812 0.6529 0.4564 0.021 Uiso calc R 1 . .
H H38D -0.1769 0.6370 0.3921 0.021 Uiso calc R 1 . .
C C39B -0.0973(4) 0.59617(13) 0.4590(2) 0.0137(10) Uani d . 1 . .
C C40B -0.0375(4) 0.59257(14) 0.5254(3) 0.0205(12) Uani d . 1 . .
H H40B 0.0064 0.6125 0.5499 0.025 Uiso calc R 1 . .
C C41B -0.0420(5) 0.55975(15) 0.5562(3) 0.0257(13) Uani d . 1 . .
H H41B -0.0015 0.5580 0.6009 0.031 Uiso calc R 1 . .
C C42B -0.1057(5) 0.52972(16) 0.5211(3) 0.0296(14) Uani d . 1 . .
H H42B -0.1084 0.5078 0.5420 0.036 Uiso calc R 1 . .
C C43B -0.1655(5) 0.53243(15) 0.4546(3) 0.0281(14) Uani d . 1 . .
H H43B -0.2090 0.5123 0.4306 0.034 Uiso calc R 1 . .
C C44B -0.1606(4) 0.56521(15) 0.4236(3) 0.0231(12) Uani d . 1 . .
H H44B -0.1997 0.5666 0.3787 0.028 Uiso calc R 1 . .
C C45B 0.4183(4) 0.68217(15) 0.4670(3) 0.0171(11) Uani d . 1 . .
C C46B 0.4380(4) 0.67100(15) 0.5898(3) 0.0194(12) Uani d . 1 . .
C C47B 0.4260(4) 0.59422(16) 0.5656(3) 0.0207(12) Uani d . 1 . .
C C48B 0.3413(4) 0.55982(15) 0.4451(3) 0.0205(12) Uani d . 1 . .
C C49B 0.2097(4) 0.57950(14) 0.3192(3) 0.0196(12) Uani d . 1 . .
C C50B 0.2496(4) 0.65152(15) 0.3488(3) 0.0169(11) Uani d . 1 . .
C C51B 0.1914(4) 0.68920(15) 0.4352(3) 0.0174(11) Uani d . 1 . .
C C52B 0.1674(4) 0.65675(14) 0.5298(3) 0.0167(11) Uani d . 1 . .
C C53B 0.1895(4) 0.58647(15) 0.4877(2) 0.0167(11) Uani d . 1 . .
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'
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
C46A Ru1A C47A . . 87.6(2) ?
C46A Ru1A C45A . . 92.6(2) ?
C47A Ru1A C45A . . 172.7(2) ?
C46A Ru1A As1A . . 98.57(16) ?
C47A Ru1A As1A . . 94.04(15) ?
C45A Ru1A As1A . . 93.12(15) ?
C46A Ru1A Ru2A . . 170.58(16) ?
C47A Ru1A Ru2A . . 95.09(15) ?
C45A Ru1A Ru2A . . 83.59(16) ?
As1A Ru1A Ru2A . . 90.257(19) ?
C46A Ru1A Ru3A . . 112.48(16) ?
C47A Ru1A Ru3A . . 82.32(15) ?
C45A Ru1A Ru3A . . 90.89(15) ?
As1A Ru1A Ru3A . . 148.47(2) ?
Ru2A Ru1A Ru3A . . 59.145(13) ?
C49A Ru2A C48A . . 93.1(2) ?
C49A Ru2A C50A . . 91.9(2) ?
C48A Ru2A C50A . . 174.9(2) ?
C49A Ru2A As2A . . 104.90(15) ?
C48A Ru2A As2A . . 90.66(15) ?
C50A Ru2A As2A . . 88.01(15) ?
C49A Ru2A Ru3A . . 98.08(15) ?
C48A Ru2A Ru3A . . 93.17(15) ?
C50A Ru2A Ru3A . . 86.14(15) ?
As2A Ru2A Ru3A . . 156.46(2) ?
C49A Ru2A Ru1A . . 157.34(15) ?
C48A Ru2A Ru1A . . 81.00(15) ?
C50A Ru2A Ru1A . . 94.32(16) ?
As2A Ru2A Ru1A . . 97.08(2) ?
Ru3A Ru2A Ru1A . . 60.736(14) ?
C52A Ru3A C51A . . 90.4(2) ?
C52A Ru3A C53A . . 89.8(2) ?
C51A Ru3A C53A . . 176.3(2) ?
C52A Ru3A P1A . . 99.80(15) ?
C51A Ru3A P1A . . 93.01(14) ?
C53A Ru3A P1A . . 90.56(15) ?
C52A Ru3A Ru2A . . 95.69(15) ?
C51A Ru3A Ru2A . . 92.53(14) ?
C53A Ru3A Ru2A . . 83.81(14) ?
P1A Ru3A Ru2A . . 163.50(4) ?
C52A Ru3A Ru1A . . 155.00(15) ?
C51A Ru3A Ru1A . . 84.96(14) ?
C53A Ru3A Ru1A . . 93.33(15) ?
P1A Ru3A Ru1A . . 104.95(4) ?
Ru2A Ru3A Ru1A . . 60.119(14) ?
C7A As1A C1A . . 101.7(2) ?
C7A As1A C13A . . 104.6(2) ?
C1A As1A C13A . . 97.5(2) ?
C7A As1A Ru1A . . 117.66(14) ?
C1A As1A Ru1A . . 117.37(15) ?
C13A As1A Ru1A . . 115.14(15) ?
C20A As2A C14A . . 98.3(2) ?
C20A As2A C13A . . 102.1(2) ?
C14A As2A C13A . . 103.2(2) ?
C20A As2A Ru2A . . 116.95(15) ?
C14A As2A Ru2A . . 120.04(15) ?
C13A As2A Ru2A . . 113.48(14) ?
C32A P1A C26A . . 103.3(2) ?
C32A P1A C38A . . 102.4(2) ?
C26A P1A C38A . . 100.1(2) ?
C32A P1A Ru3A . . 113.06(16) ?
C26A P1A Ru3A . . 120.81(17) ?
C38A P1A Ru3A . . 114.80(17) ?
C2A C1A C6A . . 118.6(5) ?
C2A C1A As1A . . 118.4(4) ?
C6A C1A As1A . . 122.9(4) ?
C3A C2A C1A . . 121.4(5) ?
C3A C2A H1 . . 119.3 ?
C1A C2A H1 . . 119.3 ?
C4A C3A C2A . . 119.2(5) ?
C4A C3A H2 . . 120.4 ?
C2A C3A H2 . . 120.4 ?
C5A C4A C3A . . 120.2(5) ?
C5A C4A H3 . . 119.9 ?
C3A C4A H3 . . 119.9 ?
C4A C5A C6A . . 120.8(5) ?
C4A C5A H4 . . 119.6 ?
C6A C5A H4 . . 119.6 ?
C5A C6A C1A . . 119.8(5) ?
C5A C6A H5 . . 120.1 ?
C1A C6A H5 . . 120.1 ?
C8A C7A C12A . . 120.0(5) ?
C8A C7A As1A . . 117.6(4) ?
C12A C7A As1A . . 122.4(4) ?
C9A C8A C7A . . 119.9(5) ?
C9A C8A H6 . . 120.0 ?
C7A C8A H6 . . 120.0 ?
C8A C9A C10A . . 120.0(6) ?
C8A C9A H7 . . 120.0 ?
C10A C9A H7 . . 120.0 ?
C11A C10A C9A . . 120.2(5) ?
C11A C10A H10A . . 119.9 ?
C9A C10A H10A . . 119.9 ?
C10A C11A C12A . . 120.7(5) ?
C10A C11A H11A . . 119.6 ?
C12A C11A H11A . . 119.6 ?
C11A C12A C7A . . 119.1(5) ?
C11A C12A H12A . . 120.4 ?
C7A C12A H12A . . 120.4 ?
As2A C13A As1A . . 112.3(2) ?
As2A C13A H13A . . 109.1 ?
As1A C13A H13A . . 109.1 ?
As2A C13A H13B . . 109.1 ?
As1A C13A H13B . . 109.1 ?
H13A C13A H13B . . 107.9 ?
C19A C14A C15A . . 119.5(5) ?
C19A C14A As2A . . 119.9(4) ?
C15A C14A As2A . . 120.5(4) ?
C16A C15A C14A . . 120.1(5) ?
C16A C15A H15A . . 120.0 ?
C14A C15A H15A . . 120.0 ?
C15A C16A C17A . . 120.0(5) ?
C15A C16A H16A . . 120.0 ?
C17A C16A H16A . . 120.0 ?
C18A C17A C16A . . 120.0(5) ?
C18A C17A H17A . . 120.0 ?
C16A C17A H17A . . 120.0 ?
C19A C18A C17A . . 119.9(5) ?
C19A C18A H18A . . 120.0 ?
C17A C18A H18A . . 120.0 ?
C18A C19A C14A . . 120.5(5) ?
C18A C19A H19A . . 119.8 ?
C14A C19A H19A . . 119.8 ?
C21A C20A C25A . . 119.1(5) ?
C21A C20A As2A . . 124.1(4) ?
C25A C20A As2A . . 116.6(4) ?
C20A C21A C22A . . 119.9(5) ?
C20A C21A H21A . . 120.0 ?
C22A C21A H21A . . 120.0 ?
C23A C22A C21A . . 120.6(5) ?
C23A C22A H22A . . 119.7 ?
C21A C22A H22A . . 119.7 ?
C22A C23A C24A . . 119.5(5) ?
C22A C23A H23A . . 120.2 ?
C24A C23A H23A . . 120.2 ?
C25A C24A C23A . . 120.5(6) ?
C25A C24A H24A . . 119.7 ?
C23A C24A H24A . . 119.7 ?
C24A C25A C20A . . 120.2(5) ?
C24A C25A H25A . . 119.9 ?
C20A C25A H25A . . 119.9 ?
C31A C26A C27A . . 117.5(5) ?
C31A C26A P1A . . 121.0(4) ?
C27A C26A P1A . . 121.1(4) ?
C28A C27A C26A . . 120.9(5) ?
C28A C27A H27A . . 119.6 ?
C26A C27A H27A . . 119.6 ?
C29A C28A C27A . . 120.6(5) ?
C29A C28A H28A . . 119.7 ?
C27A C28A H28A . . 119.7 ?
C28A C29A C30A . . 119.8(5) ?
C28A C29A H29A . . 120.1 ?
C30A C29A H29A . . 120.1 ?
C31A C30A C29A . . 119.5(5) ?
C31A C30A H30A . . 120.2 ?
C29A C30A H30A . . 120.2 ?
C30A C31A C26A . . 121.6(5) ?
C30A C31A H31A . . 119.2 ?
C26A C31A H31A . . 119.2 ?
C37A C32A C33A . . 118.0(5) ?
C37A C32A P1A . . 119.7(4) ?
C33A C32A P1A . . 121.9(4) ?
C34A C33A C32A . . 120.9(6) ?
C34A C33A H33A . . 119.6 ?
C32A C33A H33A . . 119.6 ?
C33A C34A C35A . . 120.3(5) ?
C33A C34A H34A . . 119.8 ?
C35A C34A H34A . . 119.8 ?
C34A C35A C36A . . 119.8(5) ?
C34A C35A H35A . . 120.1 ?
C36A C35A H35A . . 120.1 ?
C37A C36A C35A . . 119.3(5) ?
C37A C36A H36A . . 120.3 ?
C35A C36A H36A . . 120.3 ?
C36A C37A C32A . . 121.7(5) ?
C36A C37A H37A . . 119.2 ?
C32A C37A H37A . . 119.2 ?
C39A C38A P1A . . 113.5(3) ?
C39A C38A H38A . . 108.9 ?
P1A C38A H38A . . 108.9 ?
C39A C38A H38B . . 108.9 ?
P1A C38A H38B . . 108.9 ?
H38A C38A H38B . . 107.7 ?
C44A C39A C40A . . 118.1(5) ?
C44A C39A C38A . . 120.3(5) ?
C40A C39A C38A . . 121.6(5) ?
C41A C40A C39A . . 120.1(5) ?
C41A C40A H40A . . 119.9 ?
C39A C40A H40A . . 119.9 ?
C42A C41A C40A . . 121.1(5) ?
C42A C41A H41A . . 119.5 ?
C40A C41A H41A . . 119.5 ?
C43A C42A C41A . . 119.6(5) ?
C43A C42A H42A . . 120.2 ?
C41A C42A H42A . . 120.2 ?
C42A C43A C44A . . 120.2(5) ?
C42A C43A H43A . . 119.9 ?
C44A C43A H43A . . 119.9 ?
C43A C44A C39A . . 120.8(5) ?
C43A C44A H44A . . 119.6 ?
C39A C44A H44A . . 119.6 ?
O1A C45A Ru1A . . 173.1(5) ?
O2A C46A Ru1A . . 176.5(5) ?
O3A C47A Ru1A . . 171.6(4) ?
O4A C48A Ru2A . . 173.5(4) ?
O5A C49A Ru2A . . 176.2(5) ?
O6A C50A Ru2A . . 174.3(4) ?
O7A C51A Ru3A . . 173.4(4) ?
O8A C52A Ru3A . . 176.6(5) ?
O9A C53A Ru3A . . 173.3(4) ?
C46B Ru1B C45B . . 93.7(2) ?
C46B Ru1B C47B . . 93.3(2) ?
C45B Ru1B C47B . . 172.8(2) ?
C46B Ru1B As2B . . 105.38(16) ?
C45B Ru1B As2B . . 89.77(14) ?
C47B Ru1B As2B . . 86.61(15) ?
C46B Ru1B Ru3B . . 96.06(15) ?
C45B Ru1B Ru3B . . 91.56(14) ?
C47B Ru1B Ru3B . . 89.53(15) ?
As2B Ru1B Ru3B . . 158.39(2) ?
C46B Ru1B Ru2B . . 156.29(15) ?
C45B Ru1B Ru2B . . 81.09(15) ?
C47B Ru1B Ru2B . . 93.21(16) ?
As2B Ru1B Ru2B . . 97.74(2) ?
Ru3B Ru1B Ru2B . . 61.225(14) ?
C49B Ru2B C50B . . 88.1(2) ?
C49B Ru2B C48B . . 91.2(2) ?
C50B Ru2B C48B . . 172.7(2) ?
C49B Ru2B As1B . . 99.08(16) ?
C50B Ru2B As1B . . 94.01(15) ?
C48B Ru2B As1B . . 93.29(16) ?
C49B Ru2B Ru1B . . 170.15(16) ?
C50B Ru2B Ru1B . . 95.78(15) ?
C48B Ru2B Ru1B . . 83.77(16) ?
As1B Ru2B Ru1B . . 89.711(19) ?
C49B Ru2B Ru3B . . 113.21(16) ?
C50B Ru2B Ru3B . . 78.84(15) ?
C48B Ru2B Ru3B . . 94.76(16) ?
As1B Ru2B Ru3B . . 146.46(2) ?
Ru1B Ru2B Ru3B . . 59.003(14) ?
C52B Ru3B C53B . . 93.0(2) ?
C52B Ru3B C51B . . 87.9(2) ?
C53B Ru3B C51B . . 175.2(2) ?
C52B Ru3B P1B . . 96.66(15) ?
C53B Ru3B P1B . . 93.83(15) ?
C51B Ru3B P1B . . 90.74(15) ?
C52B Ru3B Ru1B . . 96.81(15) ?
C53B Ru3B Ru1B . . 90.14(14) ?
C51B Ru3B Ru1B . . 85.09(15) ?
P1B Ru3B Ru1B . . 165.73(4) ?
C52B Ru3B Ru2B . . 155.75(15) ?
C53B Ru3B Ru2B . . 81.65(15) ?
C51B Ru3B Ru2B . . 95.63(15) ?
P1B Ru3B Ru2B . . 107.25(4) ?
Ru1B Ru3B Ru2B . . 59.772(14) ?
C7B As1B C1B . . 101.7(2) ?
C7B As1B C13B . . 103.7(2) ?
C1B As1B C13B . . 98.9(2) ?
C7B As1B Ru2B . . 117.40(14) ?
C1B As1B Ru2B . . 116.30(15) ?
C13B As1B Ru2B . . 116.16(15) ?
C14B As2B C20B . . 100.2(2) ?
C14B As2B C13B . . 104.0(2) ?
C20B As2B C13B . . 102.1(2) ?
C14B As2B Ru1B . . 118.05(15) ?
C20B As2B Ru1B . . 117.07(15) ?
C13B As2B Ru1B . . 113.18(14) ?
C32B P1B C26B . . 101.9(2) ?
C32B P1B C38B . . 102.1(2) ?
C26B P1B C38B . . 100.2(2) ?
C32B P1B Ru3B . . 112.77(16) ?
C26B P1B Ru3B . . 122.61(17) ?
C38B P1B Ru3B . . 114.57(18) ?
C6B C1B C2B . . 119.0(5) ?
C6B C1B As1B . . 122.5(4) ?
C2B C1B As1B . . 118.5(4) ?
C3B C2B C1B . . 120.9(5) ?
C3B C2B H8 . . 119.5 ?
C1B C2B H8 . . 119.5 ?
C2B C3B C4B . . 120.1(5) ?
C2B C3B H9 . . 119.9 ?
C4B C3B H9 . . 119.9 ?
C5B C4B C3B . . 119.2(5) ?
C5B C4B H10 . . 120.4 ?
C3B C4B H10 . . 120.4 ?
C4B C5B C6B . . 121.0(5) ?
C4B C5B H11 . . 119.5 ?
C6B C5B H11 . . 119.5 ?
C5B C6B C1B . . 119.7(5) ?
C5B C6B H12 . . 120.1 ?
C1B C6B H12 . . 120.1 ?
C8B C7B C12B . . 119.2(5) ?
C8B C7B As1B . . 117.9(4) ?
C12B C7B As1B . . 122.9(4) ?
C9B C8B C7B . . 121.2(5) ?
C9B C8B H13 . . 119.4 ?
C7B C8B H13 . . 119.4 ?
C8B C9B C10B . . 119.3(5) ?
C8B C9B H14 . . 120.4 ?
C10B C9B H14 . . 120.4 ?
C11B C10B C9B . . 120.1(5) ?
C11B C10B H10B . . 120.0 ?
C9B C10B H10B . . 120.0 ?
C10B C11B C12B . . 120.2(5) ?
C10B C11B H11B . . 119.9 ?
C12B C11B H11B . . 119.9 ?
C11B C12B C7B . . 120.1(5) ?
C11B C12B H12B . . 120.0 ?
C7B C12B H12B . . 120.0 ?
As1B C13B As2B . . 112.6(2) ?
As1B C13B H13C . . 109.1 ?
As2B C13B H13C . . 109.1 ?
As1B C13B H13D . . 109.1 ?
As2B C13B H13D . . 109.1 ?
H13C C13B H13D . . 107.8 ?
C19B C14B C15B . . 119.6(5) ?
C19B C14B As2B . . 120.5(4) ?
C15B C14B As2B . . 119.8(4) ?
C16B C15B C14B . . 120.0(5) ?
C16B C15B H15B . . 120.0 ?
C14B C15B H15B . . 120.0 ?
C15B C16B C17B . . 120.6(5) ?
C15B C16B H16B . . 119.7 ?
C17B C16B H16B . . 119.7 ?
C18B C17B C16B . . 119.3(5) ?
C18B C17B H17B . . 120.3 ?
C16B C17B H17B . . 120.3 ?
C17B C18B C19B . . 120.6(5) ?
C17B C18B H18B . . 119.7 ?
C19B C18B H18B . . 119.7 ?
C14B C19B C18B . . 119.8(5) ?
C14B C19B H19B . . 120.1 ?
C18B C19B H19B . . 120.1 ?
C21B C20B C25B . . 118.9(5) ?
C21B C20B As2B . . 123.9(4) ?
C25B C20B As2B . . 117.2(4) ?
C22B C21B C20B . . 120.4(5) ?
C22B C21B H21B . . 119.8 ?
C20B C21B H21B . . 119.8 ?
C23B C22B C21B . . 120.9(5) ?
C23B C22B H22B . . 119.6 ?
C21B C22B H22B . . 119.6 ?
C22B C23B C24B . . 118.8(5) ?
C22B C23B H23B . . 120.6 ?
C24B C23B H23B . . 120.6 ?
C25B C24B C23B . . 120.9(5) ?
C25B C24B H24B . . 119.5 ?
C23B C24B H24B . . 119.5 ?
C24B C25B C20B . . 120.2(5) ?
C24B C25B H25B . . 119.9 ?
C20B C25B H25B . . 119.9 ?
C31B C26B C27B . . 119.1(5) ?
C31B C26B P1B . . 120.6(4) ?
C27B C26B P1B . . 120.2(4) ?
C28B C27B C26B . . 120.4(5) ?
C28B C27B H27B . . 119.8 ?
C26B C27B H27B . . 119.8 ?
C29B C28B C27B . . 120.2(5) ?
C29B C28B H28B . . 119.9 ?
C27B C28B H28B . . 119.9 ?
C28B C29B C30B . . 120.1(5) ?
C28B C29B H29B . . 119.9 ?
C30B C29B H29B . . 119.9 ?
C29B C30B C31B . . 119.8(5) ?
C29B C30B H30B . . 120.1 ?
C31B C30B H30B . . 120.1 ?
C26B C31B C30B . . 120.4(5) ?
C26B C31B H31B . . 119.8 ?
C30B C31B H31B . . 119.8 ?
C33B C32B C37B . . 118.3(5) ?
C33B C32B P1B . . 120.6(4) ?
C37B C32B P1B . . 121.0(4) ?
C34B C33B C32B . . 121.4(5) ?
C34B C33B H33B . . 119.3 ?
C32B C33B H33B . . 119.3 ?
C35B C34B C33B . . 119.5(5) ?
C35B C34B H34B . . 120.2 ?
C33B C34B H34B . . 120.2 ?
C34B C35B C36B . . 120.5(5) ?
C34B C35B H35B . . 119.8 ?
C36B C35B H35B . . 119.8 ?
C37B C36B C35B . . 119.9(5) ?
C37B C36B H36B . . 120.0 ?
C35B C36B H36B . . 120.0 ?
C36B C37B C32B . . 120.4(5) ?
C36B C37B H37B . . 119.8 ?
C32B C37B H37B . . 119.8 ?
C39B C38B P1B . . 115.4(3) ?
C39B C38B H38C . . 108.4 ?
P1B C38B H38C . . 108.4 ?
C39B C38B H38D . . 108.4 ?
P1B C38B H38D . . 108.4 ?
H38C C38B H38D . . 107.5 ?
C40B C39B C44B . . 117.9(5) ?
C40B C39B C38B . . 121.7(4) ?
C44B C39B C38B . . 120.3(5) ?
C39B C40B C41B . . 121.0(5) ?
C39B C40B H40B . . 119.5 ?
C41B C40B H40B . . 119.5 ?
C42B C41B C40B . . 120.7(6) ?
C42B C41B H41B . . 119.6 ?
C40B C41B H41B . . 119.6 ?
C41B C42B C43B . . 119.4(5) ?
C41B C42B H42B . . 120.3 ?
C43B C42B H42B . . 120.3 ?
C42B C43B C44B . . 120.0(5) ?
C42B C43B H43B . . 120.0 ?
C44B C43B H43B . . 120.0 ?
C43B C44B C39B . . 120.9(5) ?
C43B C44B H44B . . 119.5 ?
C39B C44B H44B . . 119.5 ?
O1B C45B Ru1B . . 174.1(4) ?
O2B C46B Ru1B . . 176.5(5) ?
O3B C47B Ru1B . . 173.1(5) ?
O4B C48B Ru2B . . 173.8(5) ?
O5B C49B Ru2B . . 177.5(5) ?
O6B C50B Ru2B . . 170.7(4) ?
O7B C51B Ru3B . . 172.4(5) ?
O8B C52B Ru3B . . 179.4(5) ?
O9B C53B Ru3B . . 173.2(4) ?
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
Ru1A C46A . 1.878(6) ?
Ru1A C47A . 1.926(5) ?
Ru1A C45A . 1.930(6) ?
Ru1A As1A . 2.4240(6) ?
Ru1A Ru2A . 2.8679(6) ?
Ru1A Ru3A . 2.8855(6) ?
Ru2A C49A . 1.905(6) ?
Ru2A C48A . 1.924(6) ?
Ru2A C50A . 1.928(6) ?
Ru2A As2A . 2.4261(6) ?
Ru2A Ru3A . 2.8395(5) ?
Ru3A C52A . 1.880(6) ?
Ru3A C51A . 1.931(5) ?
Ru3A C53A . 1.948(5) ?
Ru3A P1A . 2.3414(13) ?
As1A C7A . 1.945(5) ?
As1A C1A . 1.953(5) ?
As1A C13A . 1.962(5) ?
As2A C20A . 1.935(5) ?
As2A C14A . 1.938(5) ?
As2A C13A . 1.952(5) ?
P1A C32A . 1.824(5) ?
P1A C26A . 1.825(5) ?
P1A C38A . 1.854(5) ?
O1A C45A . 1.148(6) ?
O2A C46A . 1.155(6) ?
O3A C47A . 1.149(6) ?
O4A C48A . 1.153(6) ?
O5A C49A . 1.136(6) ?
O6A C50A . 1.146(6) ?
O7A C51A . 1.147(6) ?
O8A C52A . 1.146(6) ?
O9A C53A . 1.142(6) ?
C1A C2A . 1.387(7) ?
C1A C6A . 1.396(7) ?
C2A C3A . 1.381(7) ?
C2A H1 . 0.9300 ?
C3A C4A . 1.381(7) ?
C3A H2 . 0.9300 ?
C4A C5A . 1.372(8) ?
C4A H3 . 0.9300 ?
C5A C6A . 1.380(7) ?
C5A H4 . 0.9300 ?
C6A H5 . 0.9300 ?
C7A C8A . 1.394(7) ?
C7A C12A . 1.399(7) ?
C8A C9A . 1.378(7) ?
C8A H6 . 0.9300 ?
C9A C10A . 1.387(8) ?
C9A H7 . 0.9300 ?
C10A C11A . 1.377(8) ?
C10A H10A . 0.9300 ?
C11A C12A . 1.384(7) ?
C11A H11A . 0.9300 ?
C12A H12A . 0.9300 ?
C13A H13A . 0.9700 ?
C13A H13B . 0.9700 ?
C14A C19A . 1.384(7) ?
C14A C15A . 1.390(7) ?
C15A C16A . 1.380(7) ?
C15A H15A . 0.9300 ?
C16A C17A . 1.387(7) ?
C16A H16A . 0.9300 ?
C17A C18A . 1.381(7) ?
C17A H17A . 0.9300 ?
C18A C19A . 1.381(7) ?
C18A H18A . 0.9300 ?
C19A H19A . 0.9300 ?
C20A C21A . 1.376(7) ?
C20A C25A . 1.396(7) ?
C21A C22A . 1.405(7) ?
C21A H21A . 0.9300 ?
C22A C23A . 1.362(8) ?
C22A H22A . 0.9300 ?
C23A C24A . 1.384(8) ?
C23A H23A . 0.9300 ?
C24A C25A . 1.380(8) ?
C24A H24A . 0.9300 ?
C25A H25A . 0.9300 ?
C26A C31A . 1.398(7) ?
C26A C27A . 1.401(7) ?
C27A C28A . 1.380(7) ?
C27A H27A . 0.9300 ?
C28A C29A . 1.378(7) ?
C28A H28A . 0.9300 ?
C29A C30A . 1.387(7) ?
C29A H29A . 0.9300 ?
C30A C31A . 1.383(7) ?
C30A H30A . 0.9300 ?
C31A H31A . 0.9300 ?
C32A C37A . 1.390(7) ?
C32A C33A . 1.393(7) ?
C33A C34A . 1.378(7) ?
C33A H33A . 0.9300 ?
C34A C35A . 1.382(8) ?
C34A H34A . 0.9300 ?
C35A C36A . 1.392(8) ?
C35A H35A . 0.9300 ?
C36A C37A . 1.379(7) ?
C36A H36A . 0.9300 ?
C37A H37A . 0.9300 ?
C38A C39A . 1.514(7) ?
C38A H38A . 0.9700 ?
C38A H38B . 0.9700 ?
C39A C44A . 1.399(7) ?
C39A C40A . 1.401(7) ?
C40A C41A . 1.383(7) ?
C40A H40A . 0.9300 ?
C41A C42A . 1.380(8) ?
C41A H41A . 0.9300 ?
C42A C43A . 1.372(8) ?
C42A H42A . 0.9300 ?
C43A C44A . 1.393(7) ?
C43A H43A . 0.9300 ?
C44A H44A . 0.9300 ?
Ru1B C46B . 1.886(6) ?
Ru1B C45B . 1.929(6) ?
Ru1B C47B . 1.937(6) ?
Ru1B As2B . 2.4271(6) ?
Ru1B Ru3B . 2.8331(5) ?
Ru1B Ru2B . 2.8558(6) ?
Ru2B C49B . 1.893(6) ?
Ru2B C50B . 1.912(5) ?
Ru2B C48B . 1.924(6) ?
Ru2B As1B . 2.4308(6) ?
Ru2B Ru3B . 2.8970(6) ?
Ru3B C52B . 1.869(6) ?
Ru3B C53B . 1.927(5) ?
Ru3B C51B . 1.937(5) ?
Ru3B P1B . 2.3374(13) ?
As1B C7B . 1.935(5) ?
As1B C1B . 1.949(5) ?
As1B C13B . 1.956(5) ?
As2B C14B . 1.942(5) ?
As2B C20B . 1.947(5) ?
As2B C13B . 1.962(5) ?
P1B C32B . 1.828(5) ?
P1B C26B . 1.833(5) ?
P1B C38B . 1.855(5) ?
O1B C45B . 1.147(6) ?
O2B C46B . 1.147(6) ?
O3B C47B . 1.146(6) ?
O4B C48B . 1.155(6) ?
O5B C49B . 1.147(6) ?
O6B C50B . 1.160(6) ?
O7B C51B . 1.146(6) ?
O8B C52B . 1.148(6) ?
O9B C53B . 1.153(6) ?
C1B C6B . 1.391(7) ?
C1B C2B . 1.396(7) ?
C2B C3B . 1.374(7) ?
C2B H8 . 0.9300 ?
C3B C4B . 1.393(7) ?
C3B H9 . 0.9300 ?
C4B C5B . 1.378(7) ?
C4B H10 . 0.9300 ?
C5B C6B . 1.391(7) ?
C5B H11 . 0.9300 ?
C6B H12 . 0.9300 ?
C7B C8B . 1.390(7) ?
C7B C12B . 1.391(7) ?
C8B C9B . 1.381(7) ?
C8B H13 . 0.9300 ?
C9B C10B . 1.398(8) ?
C9B H14 . 0.9300 ?
C10B C11B . 1.384(8) ?
C10B H10B . 0.9300 ?
C11B C12B . 1.391(7) ?
C11B H11B . 0.9300 ?
C12B H12B . 0.9300 ?
C13B H13C . 0.9700 ?
C13B H13D . 0.9700 ?
C14B C19B . 1.375(7) ?
C14B C15B . 1.391(7) ?
C15B C16B . 1.376(7) ?
C15B H15B . 0.9300 ?
C16B C17B . 1.386(8) ?
C16B H16B . 0.9300 ?
C17B C18B . 1.369(7) ?
C17B H17B . 0.9300 ?
C18B C19B . 1.396(7) ?
C18B H18B . 0.9300 ?
C19B H19B . 0.9300 ?
C20B C21B . 1.383(7) ?
C20B C25B . 1.396(7) ?
C21B C22B . 1.383(7) ?
C21B H21B . 0.9300 ?
C22B C23B . 1.371(8) ?
C22B H22B . 0.9300 ?
C23B C24B . 1.393(8) ?
C23B H23B . 0.9300 ?
C24B C25B . 1.368(8) ?
C24B H24B . 0.9300 ?
C25B H25B . 0.9300 ?
C26B C31B . 1.382(7) ?
C26B C27B . 1.395(7) ?
C27B C28B . 1.381(7) ?
C27B H27B . 0.9300 ?
C28B C29B . 1.376(8) ?
C28B H28B . 0.9300 ?
C29B C30B . 1.384(7) ?
C29B H29B . 0.9300 ?
C30B C31B . 1.392(7) ?
C30B H30B . 0.9300 ?
C31B H31B . 0.9300 ?
C32B C33B . 1.391(7) ?
C32B C37B . 1.403(7) ?
C33B C34B . 1.382(7) ?
C33B H33B . 0.9300 ?
C34B C35B . 1.380(8) ?
C34B H34B . 0.9300 ?
C35B C36B . 1.387(8) ?
C35B H35B . 0.9300 ?
C36B C37B . 1.384(7) ?
C36B H36B . 0.9300 ?
C37B H37B . 0.9300 ?
C38B C39B . 1.510(7) ?
C38B H38C . 0.9700 ?
C38B H38D . 0.9700 ?
C39B C40B . 1.383(7) ?
C39B C44B . 1.404(7) ?
C40B C41B . 1.387(7) ?
C40B H40B . 0.9300 ?
C41B C42B . 1.378(8) ?
C41B H41B . 0.9300 ?
C42B C43B . 1.383(8) ?
C42B H42B . 0.9300 ?
C43B C44B . 1.391(7) ?
C43B H43B . 0.9300 ?
C44B H44B . 0.9300 ?
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
C16A H16A O6B . 0.9300 2.5900 3.189(6) 123.00 yes
C30A H30A O7A 3_776 0.9300 2.5800 3.261(6) 130.00 yes
C42B H42B O9B 3_566 0.9300 2.5800 3.241(7) 129.00 yes
C28A H28A Cg1 4_665 0.9300 2.7200 3.570(7) 152.00 y
C28B H28B Cg2 4_464 0.9300 2.8700 3.648(7) 142.00 y
C40A H40A Cg3 1_555 0.9300 2.7700 3.474(7) 133.00 y
C44B H44B Cg4 1_555 0.9300 2.9400 3.615(7) 130.00 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
C47A Ru1A Ru2A C49A . . . . -55.4(4) ?
C45A Ru1A Ru2A C49A . . . . 117.4(4) ?
As1A Ru1A Ru2A C49A . . . . -149.5(4) ?
Ru3A Ru1A Ru2A C49A . . . . 22.5(4) ?
C47A Ru1A Ru2A C48A . . . . 20.9(2) ?
C45A Ru1A Ru2A C48A . . . . -166.3(2) ?
As1A Ru1A Ru2A C48A . . . . -73.19(15) ?
Ru3A Ru1A Ru2A C48A . . . . 98.80(15) ?
C47A Ru1A Ru2A C50A . . . . -161.0(2) ?
C45A Ru1A Ru2A C50A . . . . 11.8(2) ?
As1A Ru1A Ru2A C50A . . . . 104.88(15) ?
Ru3A Ru1A Ru2A C50A . . . . -83.13(15) ?
C47A Ru1A Ru2A As2A . . . . 110.44(15) ?
C45A Ru1A Ru2A As2A . . . . -76.75(15) ?
As1A Ru1A Ru2A As2A . . . . 16.36(2) ?
Ru3A Ru1A Ru2A As2A . . . . -171.65(2) ?
C47A Ru1A Ru2A Ru3A . . . . -77.91(15) ?
C45A Ru1A Ru2A Ru3A . . . . 94.90(15) ?
As1A Ru1A Ru2A Ru3A . . . . -171.99(2) ?
C49A Ru2A Ru3A C52A . . . . 15.2(2) ?
C48A Ru2A Ru3A C52A . . . . 108.8(2) ?
C50A Ru2A Ru3A C52A . . . . -76.2(2) ?
As2A Ru2A Ru3A C52A . . . . -152.18(16) ?
Ru1A Ru2A Ru3A C52A . . . . -173.33(15) ?
C49A Ru2A Ru3A C51A . . . . 105.8(2) ?
C48A Ru2A Ru3A C51A . . . . -160.6(2) ?
C50A Ru2A Ru3A C51A . . . . 14.4(2) ?
As2A Ru2A Ru3A C51A . . . . -61.56(16) ?
Ru1A Ru2A Ru3A C51A . . . . -82.71(15) ?
C49A Ru2A Ru3A C53A . . . . -74.0(2) ?
C48A Ru2A Ru3A C53A . . . . 19.6(2) ?
C50A Ru2A Ru3A C53A . . . . -165.4(2) ?
As2A Ru2A Ru3A C53A . . . . 118.60(16) ?
Ru1A Ru2A Ru3A C53A . . . . 97.45(15) ?
C49A Ru2A Ru3A P1A . . . . -144.6(2) ?
C48A Ru2A Ru3A P1A . . . . -51.0(2) ?
C50A Ru2A Ru3A P1A . . . . 124.0(2) ?
As2A Ru2A Ru3A P1A . . . . 47.96(15) ?
Ru1A Ru2A Ru3A P1A . . . . 26.81(13) ?
C49A Ru2A Ru3A Ru1A . . . . -171.45(16) ?
C48A Ru2A Ru3A Ru1A . . . . -77.84(16) ?
C50A Ru2A Ru3A Ru1A . . . . 97.14(16) ?
As2A Ru2A Ru3A Ru1A . . . . 21.15(5) ?
C46A Ru1A Ru3A C52A . . . . -159.3(4) ?
C47A Ru1A Ru3A C52A . . . . 116.5(4) ?
C45A Ru1A Ru3A C52A . . . . -66.1(4) ?
As1A Ru1A Ru3A C52A . . . . 31.3(4) ?
Ru2A Ru1A Ru3A C52A . . . . 15.9(3) ?
C46A Ru1A Ru3A C51A . . . . -79.3(2) ?
C47A Ru1A Ru3A C51A . . . . -163.5(2) ?
C45A Ru1A Ru3A C51A . . . . 13.9(2) ?
As1A Ru1A Ru3A C51A . . . . 111.30(15) ?
Ru2A Ru1A Ru3A C51A . . . . 95.84(14) ?
C46A Ru1A Ru3A C53A . . . . 103.9(2) ?
C47A Ru1A Ru3A C53A . . . . 19.7(2) ?
C45A Ru1A Ru3A C53A . . . . -162.9(2) ?
As1A Ru1A Ru3A C53A . . . . -65.45(15) ?
Ru2A Ru1A Ru3A C53A . . . . -80.91(15) ?
C46A Ru1A Ru3A P1A . . . . 12.45(18) ?
C47A Ru1A Ru3A P1A . . . . -71.73(15) ?
C45A Ru1A Ru3A P1A . . . . 105.63(16) ?
As1A Ru1A Ru3A P1A . . . . -156.93(5) ?
Ru2A Ru1A Ru3A P1A . . . . -172.38(4) ?
C46A Ru1A Ru3A Ru2A . . . . -175.17(17) ?
C47A Ru1A Ru3A Ru2A . . . . 100.66(15) ?
C45A Ru1A Ru3A Ru2A . . . . -81.99(16) ?
As1A Ru1A Ru3A Ru2A . . . . 15.46(4) ?
C46A Ru1A As1A C7A . . . . -91.6(2) ?
C47A Ru1A As1A C7A . . . . -3.4(2) ?
C45A Ru1A As1A C7A . . . . 175.3(2) ?
Ru2A Ru1A As1A C7A . . . . 91.74(18) ?
Ru3A Ru1A As1A C7A . . . . 78.52(18) ?
C46A Ru1A As1A C1A . . . . 30.4(2) ?
C47A Ru1A As1A C1A . . . . 118.6(2) ?
C45A Ru1A As1A C1A . . . . -62.7(2) ?
Ru2A Ru1A As1A C1A . . . . -146.32(16) ?
Ru3A Ru1A As1A C1A . . . . -159.54(16) ?
C46A Ru1A As1A C13A . . . . 144.3(2) ?
C47A Ru1A As1A C13A . . . . -127.5(2) ?
C45A Ru1A As1A C13A . . . . 51.2(2) ?
Ru2A Ru1A As1A C13A . . . . -32.36(15) ?
Ru3A Ru1A As1A C13A . . . . -45.58(16) ?
C49A Ru2A As2A C20A . . . . -67.3(2) ?
C48A Ru2A As2A C20A . . . . -160.7(2) ?
C50A Ru2A As2A C20A . . . . 24.2(2) ?
Ru3A Ru2A As2A C20A . . . . 99.81(18) ?
Ru1A Ru2A As2A C20A . . . . 118.31(17) ?
C49A Ru2A As2A C14A . . . . 51.5(2) ?
C48A Ru2A As2A C14A . . . . -41.9(2) ?
C50A Ru2A As2A C14A . . . . 143.0(2) ?
Ru3A Ru2A As2A C14A . . . . -141.37(18) ?
Ru1A Ru2A As2A C14A . . . . -122.88(18) ?
C49A Ru2A As2A C13A . . . . 174.2(2) ?
C48A Ru2A As2A C13A . . . . 80.8(2) ?
C50A Ru2A As2A C13A . . . . -94.3(2) ?
Ru3A Ru2A As2A C13A . . . . -18.73(17) ?
Ru1A Ru2A As2A C13A . . . . -0.23(16) ?
C52A Ru3A P1A C32A . . . . -94.6(2) ?
C51A Ru3A P1A C32A . . . . 174.5(2) ?
C53A Ru3A P1A C32A . . . . -4.7(2) ?
Ru2A Ru3A P1A C32A . . . . 65.0(2) ?
Ru1A Ru3A P1A C32A . . . . 88.89(19) ?
C52A Ru3A P1A C26A . . . . 142.4(2) ?
C51A Ru3A P1A C26A . . . . 51.5(2) ?
C53A Ru3A P1A C26A . . . . -127.7(2) ?
Ru2A Ru3A P1A C26A . . . . -58.0(2) ?
Ru1A Ru3A P1A C26A . . . . -34.08(19) ?
C52A Ru3A P1A C38A . . . . 22.4(2) ?
C51A Ru3A P1A C38A . . . . -68.5(2) ?
C53A Ru3A P1A C38A . . . . 112.3(2) ?
Ru2A Ru3A P1A C38A . . . . -177.95(18) ?
Ru1A Ru3A P1A C38A . . . . -154.08(17) ?
C7A As1A C1A C2A . . . . 153.9(4) ?
C13A As1A C1A C2A . . . . -99.4(4) ?
Ru1A As1A C1A C2A . . . . 24.0(4) ?
C7A As1A C1A C6A . . . . -30.5(5) ?
C13A As1A C1A C6A . . . . 76.2(4) ?
Ru1A As1A C1A C6A . . . . -160.4(4) ?
C6A C1A C2A C3A . . . . 0.9(8) ?
As1A C1A C2A C3A . . . . 176.7(4) ?
C1A C2A C3A C4A . . . . -0.8(8) ?
C2A C3A C4A C5A . . . . 0.2(8) ?
C3A C4A C5A C6A . . . . 0.5(8) ?
C4A C5A C6A C1A . . . . -0.4(8) ?
C2A C1A C6A C5A . . . . -0.2(8) ?
As1A C1A C6A C5A . . . . -175.8(4) ?
C1A As1A C7A C8A . . . . -65.2(4) ?
C13A As1A C7A C8A . . . . -166.3(4) ?
Ru1A As1A C7A C8A . . . . 64.5(4) ?
C1A As1A C7A C12A . . . . 117.6(4) ?
C13A As1A C7A C12A . . . . 16.5(5) ?
Ru1A As1A C7A C12A . . . . -112.7(4) ?
C12A C7A C8A C9A . . . . -1.4(8) ?
As1A C7A C8A C9A . . . . -178.6(4) ?
C7A C8A C9A C10A . . . . 1.3(8) ?
C8A C9A C10A C11A . . . . 0.0(9) ?
C9A C10A C11A C12A . . . . -1.3(9) ?
C10A C11A C12A C7A . . . . 1.2(8) ?
C8A C7A C12A C11A . . . . 0.1(8) ?
As1A C7A C12A C11A . . . . 177.2(4) ?
C20A As2A C13A As1A . . . . -148.4(2) ?
C14A As2A C13A As1A . . . . 109.8(3) ?
Ru2A As2A C13A As1A . . . . -21.7(3) ?
C7A As1A C13A As2A . . . . -92.1(3) ?
C1A As1A C13A As2A . . . . 163.7(3) ?
Ru1A As1A C13A As2A . . . . 38.6(3) ?
C20A As2A C14A C19A . . . . -56.5(5) ?
C13A As2A C14A C19A . . . . 48.2(5) ?
Ru2A As2A C14A C19A . . . . 175.7(4) ?
C20A As2A C14A C15A . . . . 118.7(4) ?
C13A As2A C14A C15A . . . . -136.7(4) ?
Ru2A As2A C14A C15A . . . . -9.2(5) ?
C19A C14A C15A C16A . . . . -2.7(8) ?
As2A C14A C15A C16A . . . . -177.9(4) ?
C14A C15A C16A C17A . . . . 1.6(8) ?
C15A C16A C17A C18A . . . . -0.4(8) ?
C16A C17A C18A C19A . . . . 0.2(9) ?
C17A C18A C19A C14A . . . . -1.3(9) ?
C15A C14A C19A C18A . . . . 2.5(9) ?
As2A C14A C19A C18A . . . . 177.7(5) ?
C14A As2A C20A C21A . . . . 97.1(5) ?
C13A As2A C20A C21A . . . . -8.4(5) ?
Ru2A As2A C20A C21A . . . . -132.9(4) ?
C14A As2A C20A C25A . . . . -79.1(4) ?
C13A As2A C20A C25A . . . . 175.4(4) ?
Ru2A As2A C20A C25A . . . . 50.9(4) ?
C25A C20A C21A C22A . . . . -2.1(8) ?
As2A C20A C21A C22A . . . . -178.2(4) ?
C20A C21A C22A C23A . . . . 1.2(9) ?
C21A C22A C23A C24A . . . . 0.9(9) ?
C22A C23A C24A C25A . . . . -2.2(9) ?
C23A C24A C25A C20A . . . . 1.3(8) ?
C21A C20A C25A C24A . . . . 0.9(8) ?
As2A C20A C25A C24A . . . . 177.3(4) ?
C32A P1A C26A C31A . . . . -150.9(4) ?
C38A P1A C26A C31A . . . . 103.7(4) ?
Ru3A P1A C26A C31A . . . . -23.4(5) ?
C32A P1A C26A C27A . . . . 37.1(5) ?
C38A P1A C26A C27A . . . . -68.4(4) ?
Ru3A P1A C26A C27A . . . . 164.6(3) ?
C31A C26A C27A C28A . . . . -0.4(8) ?
P1A C26A C27A C28A . . . . 171.9(4) ?
C26A C27A C28A C29A . . . . -0.7(8) ?
C27A C28A C29A C30A . . . . 1.1(8) ?
C28A C29A C30A C31A . . . . -0.4(8) ?
C29A C30A C31A C26A . . . . -0.7(8) ?
C27A C26A C31A C30A . . . . 1.1(8) ?
P1A C26A C31A C30A . . . . -171.2(4) ?
C26A P1A C32A C37A . . . . 47.6(4) ?
C38A P1A C32A C37A . . . . 151.2(4) ?
Ru3A P1A C32A C37A . . . . -84.6(4) ?
C26A P1A C32A C33A . . . . -139.7(4) ?
C38A P1A C32A C33A . . . . -36.0(5) ?
Ru3A P1A C32A C33A . . . . 88.1(4) ?
C37A C32A C33A C34A . . . . -0.7(8) ?
P1A C32A C33A C34A . . . . -173.5(4) ?
C32A C33A C34A C35A . . . . 0.3(9) ?
C33A C34A C35A C36A . . . . 0.0(9) ?
C34A C35A C36A C37A . . . . 0.0(8) ?
C35A C36A C37A C32A . . . . -0.4(8) ?
C33A C32A C37A C36A . . . . 0.7(8) ?
P1A C32A C37A C36A . . . . 173.7(4) ?
C32A P1A C38A C39A . . . . -173.0(4) ?
C26A P1A C38A C39A . . . . -66.9(4) ?
Ru3A P1A C38A C39A . . . . 64.1(4) ?
P1A C38A C39A C44A . . . . -104.1(5) ?
P1A C38A C39A C40A . . . . 73.6(5) ?
C44A C39A C40A C41A . . . . 4.3(7) ?
C38A C39A C40A C41A . . . . -173.5(5) ?
C39A C40A C41A C42A . . . . -3.0(8) ?
C40A C41A C42A C43A . . . . -1.0(8) ?
C41A C42A C43A C44A . . . . 3.7(8) ?
C42A C43A C44A C39A . . . . -2.4(8) ?
C40A C39A C44A C43A . . . . -1.6(7) ?
C38A C39A C44A C43A . . . . 176.2(5) ?
C46B Ru1B Ru2B C50B . . . . 55.2(4) ?
C45B Ru1B Ru2B C50B . . . . -23.5(2) ?
C47B Ru1B Ru2B C50B . . . . 161.0(2) ?
As2B Ru1B Ru2B C50B . . . . -112.02(15) ?
Ru3B Ru1B Ru2B C50B . . . . 73.27(15) ?
C46B Ru1B Ru2B C48B . . . . -117.4(4) ?
C45B Ru1B Ru2B C48B . . . . 163.9(2) ?
C47B Ru1B Ru2B C48B . . . . -11.7(2) ?
As2B Ru1B Ru2B C48B . . . . 75.34(16) ?
Ru3B Ru1B Ru2B C48B . . . . -99.38(16) ?
C46B Ru1B Ru2B As1B . . . . 149.2(4) ?
C45B Ru1B Ru2B As1B . . . . 70.53(14) ?
C47B Ru1B Ru2B As1B . . . . -105.03(15) ?
As2B Ru1B Ru2B As1B . . . . -18.01(2) ?
Ru3B Ru1B Ru2B As1B . . . . 167.27(2) ?
C46B Ru1B Ru2B Ru3B . . . . -18.0(4) ?
C45B Ru1B Ru2B Ru3B . . . . -96.75(14) ?
C47B Ru1B Ru2B Ru3B . . . . 87.70(15) ?
As2B Ru1B Ru2B Ru3B . . . . 174.72(2) ?
C46B Ru1B Ru3B C52B . . . . -13.9(2) ?
C45B Ru1B Ru3B C52B . . . . -107.8(2) ?
C47B Ru1B Ru3B C52B . . . . 79.4(2) ?
As2B Ru1B Ru3B C52B . . . . 158.95(16) ?
Ru2B Ru1B Ru3B C52B . . . . 173.30(15) ?
C46B Ru1B Ru3B C53B . . . . -107.0(2) ?
C45B Ru1B Ru3B C53B . . . . 159.2(2) ?
C47B Ru1B Ru3B C53B . . . . -13.7(2) ?
As2B Ru1B Ru3B C53B . . . . 65.89(16) ?
Ru2B Ru1B Ru3B C53B . . . . 80.24(15) ?
C46B Ru1B Ru3B C51B . . . . 73.4(2) ?
C45B Ru1B Ru3B C51B . . . . -20.5(2) ?
C47B Ru1B Ru3B C51B . . . . 166.6(2) ?
As2B Ru1B Ru3B C51B . . . . -113.79(17) ?
Ru2B Ru1B Ru3B C51B . . . . -99.44(16) ?
C46B Ru1B Ru3B P1B . . . . 146.8(2) ?
C45B Ru1B Ru3B P1B . . . . 52.9(2) ?
C47B Ru1B Ru3B P1B . . . . -120.0(2) ?
As2B Ru1B Ru3B P1B . . . . -40.38(17) ?
Ru2B Ru1B Ru3B P1B . . . . -26.04(15) ?
C46B Ru1B Ru3B Ru2B . . . . 172.81(16) ?
C45B Ru1B Ru3B Ru2B . . . . 78.95(15) ?
C47B Ru1B Ru3B Ru2B . . . . -93.92(16) ?
As2B Ru1B Ru3B Ru2B . . . . -14.35(6) ?
C49B Ru2B Ru3B C52B . . . . 156.8(4) ?
C50B Ru2B Ru3B C52B . . . . -120.2(4) ?
C48B Ru2B Ru3B C52B . . . . 63.4(4) ?
As1B Ru2B Ru3B C52B . . . . -39.9(4) ?
Ru1B Ru2B Ru3B C52B . . . . -16.4(4) ?
C49B Ru2B Ru3B C53B . . . . 78.1(2) ?
C50B Ru2B Ru3B C53B . . . . 161.1(2) ?
C48B Ru2B Ru3B C53B . . . . -15.3(2) ?
As1B Ru2B Ru3B C53B . . . . -118.56(15) ?
Ru1B Ru2B Ru3B C53B . . . . -95.07(15) ?
C49B Ru2B Ru3B C51B . . . . -105.8(2) ?
C50B Ru2B Ru3B C51B . . . . -22.8(2) ?
C48B Ru2B Ru3B C51B . . . . 160.8(2) ?
As1B Ru2B Ru3B C51B . . . . 57.47(16) ?
Ru1B Ru2B Ru3B C51B . . . . 80.97(15) ?
C49B Ru2B Ru3B P1B . . . . -13.29(17) ?
C50B Ru2B Ru3B P1B . . . . 69.71(15) ?
C48B Ru2B Ru3B P1B . . . . -106.70(16) ?
As1B Ru2B Ru3B P1B . . . . 150.00(5) ?
Ru1B Ru2B Ru3B P1B . . . . 173.50(4) ?
C49B Ru2B Ru3B Ru1B . . . . 173.21(17) ?
C50B Ru2B Ru3B Ru1B . . . . -103.79(15) ?
C48B Ru2B Ru3B Ru1B . . . . 79.80(16) ?
As1B Ru2B Ru3B Ru1B . . . . -23.50(4) ?
C49B Ru2B As1B C7B . . . . 93.1(2) ?
C50B Ru2B As1B C7B . . . . 4.4(2) ?
C48B Ru2B As1B C7B . . . . -175.2(2) ?
Ru1B Ru2B As1B C7B . . . . -91.41(17) ?
Ru3B Ru2B As1B C7B . . . . -71.42(17) ?
C49B Ru2B As1B C1B . . . . -27.7(2) ?
C50B Ru2B As1B C1B . . . . -116.4(2) ?
C48B Ru2B As1B C1B . . . . 64.1(2) ?
Ru1B Ru2B As1B C1B . . . . 147.84(17) ?
Ru3B Ru2B As1B C1B . . . . 167.82(17) ?
C49B Ru2B As1B C13B . . . . -143.5(2) ?
C50B Ru2B As1B C13B . . . . 127.8(2) ?
C48B Ru2B As1B C13B . . . . -51.7(2) ?
Ru1B Ru2B As1B C13B . . . . 32.06(16) ?
Ru3B Ru2B As1B C13B . . . . 52.04(17) ?
C46B Ru1B As2B C14B . . . . -48.8(2) ?
C45B Ru1B As2B C14B . . . . 45.0(2) ?
C47B Ru1B As2B C14B . . . . -141.3(2) ?
Ru3B Ru1B As2B C14B . . . . 138.59(17) ?
Ru2B Ru1B As2B C14B . . . . 125.93(17) ?
C46B Ru1B As2B C20B . . . . 71.0(2) ?
C45B Ru1B As2B C20B . . . . 164.7(2) ?
C47B Ru1B As2B C20B . . . . -21.5(2) ?
Ru3B Ru1B As2B C20B . . . . -101.62(19) ?
Ru2B Ru1B As2B C20B . . . . -114.28(18) ?
C46B Ru1B As2B C13B . . . . -170.6(2) ?
C45B Ru1B As2B C13B . . . . -76.9(2) ?
C47B Ru1B As2B C13B . . . . 96.9(2) ?
Ru3B Ru1B As2B C13B . . . . 16.78(18) ?
Ru2B Ru1B As2B C13B . . . . 4.12(16) ?
C52B Ru3B P1B C32B . . . . 93.2(2) ?
C53B Ru3B P1B C32B . . . . -173.3(2) ?
C51B Ru3B P1B C32B . . . . 5.3(2) ?
Ru1B Ru3B P1B C32B . . . . -67.5(3) ?
Ru2B Ru3B P1B C32B . . . . -90.86(19) ?
C52B Ru3B P1B C26B . . . . -144.6(2) ?
C53B Ru3B P1B C26B . . . . -51.1(2) ?
C51B Ru3B P1B C26B . . . . 127.5(2) ?
Ru1B Ru3B P1B C26B . . . . 54.8(3) ?
Ru2B Ru3B P1B C26B . . . . 31.4(2) ?
C52B Ru3B P1B C38B . . . . -23.0(2) ?
C53B Ru3B P1B C38B . . . . 70.5(2) ?
C51B Ru3B P1B C38B . . . . -111.0(2) ?
Ru1B Ru3B P1B C38B . . . . 176.30(19) ?
Ru2B Ru3B P1B C38B . . . . 152.90(17) ?
C7B As1B C1B C6B . . . . 26.2(5) ?
C13B As1B C1B C6B . . . . -79.9(4) ?
Ru2B As1B C1B C6B . . . . 155.0(4) ?
C7B As1B C1B C2B . . . . -156.0(4) ?
C13B As1B C1B C2B . . . . 97.9(4) ?
Ru2B As1B C1B C2B . . . . -27.2(4) ?
C6B C1B C2B C3B . . . . 0.4(8) ?
As1B C1B C2B C3B . . . . -177.5(4) ?
C1B C2B C3B C4B . . . . 0.0(8) ?
C2B C3B C4B C5B . . . . -0.4(8) ?
C3B C4B C5B C6B . . . . 0.5(8) ?
C4B C5B C6B C1B . . . . -0.2(8) ?
C2B C1B C6B C5B . . . . -0.3(8) ?
As1B C1B C6B C5B . . . . 177.5(4) ?
C1B As1B C7B C8B . . . . 62.4(4) ?
C13B As1B C7B C8B . . . . 164.7(4) ?
Ru2B As1B C7B C8B . . . . -65.8(4) ?
C1B As1B C7B C12B . . . . -118.9(4) ?
C13B As1B C7B C12B . . . . -16.6(5) ?
Ru2B As1B C7B C12B . . . . 113.0(4) ?
C12B C7B C8B C9B . . . . 1.2(8) ?
As1B C7B C8B C9B . . . . -180.0(4) ?
C7B C8B C9B C10B . . . . -0.3(8) ?
C8B C9B C10B C11B . . . . -0.9(8) ?
C9B C10B C11B C12B . . . . 1.2(9) ?
C10B C11B C12B C7B . . . . -0.3(8) ?
C8B C7B C12B C11B . . . . -0.9(8) ?
As1B C7B C12B C11B . . . . -179.7(4) ?
C7B As1B C13B As2B . . . . 94.8(3) ?
C1B As1B C13B As2B . . . . -160.8(3) ?
Ru2B As1B C13B As2B . . . . -35.6(3) ?
C14B As2B C13B As1B . . . . -112.5(3) ?
C20B As2B C13B As1B . . . . 143.7(2) ?
Ru1B As2B C13B As1B . . . . 16.9(3) ?
C20B As2B C14B C19B . . . . -122.3(4) ?
C13B As2B C14B C19B . . . . 132.3(4) ?
Ru1B As2B C14B C19B . . . . 6.0(5) ?
C20B As2B C14B C15B . . . . 53.7(5) ?
C13B As2B C14B C15B . . . . -51.7(5) ?
Ru1B As2B C14B C15B . . . . -178.0(4) ?
C19B C14B C15B C16B . . . . -3.2(9) ?
As2B C14B C15B C16B . . . . -179.3(5) ?
C14B C15B C16B C17B . . . . 2.0(10) ?
C15B C16B C17B C18B . . . . -0.1(10) ?
C16B C17B C18B C19B . . . . -0.6(9) ?
C15B C14B C19B C18B . . . . 2.5(8) ?
As2B C14B C19B C18B . . . . 178.5(4) ?
C17B C18B C19B C14B . . . . -0.6(8) ?
C14B As2B C20B C21B . . . . -127.7(4) ?
C13B As2B C20B C21B . . . . -20.8(5) ?
Ru1B As2B C20B C21B . . . . 103.4(4) ?
C14B As2B C20B C25B . . . . 54.5(4) ?
C13B As2B C20B C25B . . . . 161.4(4) ?
Ru1B As2B C20B C25B . . . . -74.4(4) ?
C25B C20B C21B C22B . . . . 0.2(8) ?
As2B C20B C21B C22B . . . . -177.6(4) ?
C20B C21B C22B C23B . . . . -0.1(9) ?
C21B C22B C23B C24B . . . . -0.1(9) ?
C22B C23B C24B C25B . . . . 0.1(9) ?
C23B C24B C25B C20B . . . . 0.0(9) ?
C21B C20B C25B C24B . . . . -0.1(8) ?
As2B C20B C25B C24B . . . . 177.8(5) ?
C32B P1B C26B C31B . . . . 149.0(4) ?
C38B P1B C26B C31B . . . . -106.2(4) ?
Ru3B P1B C26B C31B . . . . 21.8(5) ?
C32B P1B C26B C27B . . . . -34.8(5) ?
C38B P1B C26B C27B . . . . 70.0(5) ?
Ru3B P1B C26B C27B . . . . -161.9(3) ?
C31B C26B C27B C28B . . . . 0.1(8) ?
P1B C26B C27B C28B . . . . -176.2(4) ?
C26B C27B C28B C29B . . . . -0.4(8) ?
C27B C28B C29B C30B . . . . 0.8(8) ?
C28B C29B C30B C31B . . . . -1.0(8) ?
C27B C26B C31B C30B . . . . -0.3(8) ?
P1B C26B C31B C30B . . . . 176.1(4) ?
C29B C30B C31B C26B . . . . 0.7(8) ?
C26B P1B C32B C33B . . . . -47.7(4) ?
C38B P1B C32B C33B . . . . -151.0(4) ?
Ru3B P1B C32B C33B . . . . 85.6(4) ?
C26B P1B C32B C37B . . . . 136.7(4) ?
C38B P1B C32B C37B . . . . 33.4(5) ?
Ru3B P1B C32B C37B . . . . -90.0(4) ?
C37B C32B C33B C34B . . . . -0.7(7) ?
P1B C32B C33B C34B . . . . -176.5(4) ?
C32B C33B C34B C35B . . . . 0.2(8) ?
C33B C34B C35B C36B . . . . 0.2(8) ?
C34B C35B C36B C37B . . . . -0.1(8) ?
C35B C36B C37B C32B . . . . -0.4(8) ?
C33B C32B C37B C36B . . . . 0.8(8) ?
P1B C32B C37B C36B . . . . 176.5(4) ?
C32B P1B C38B C39B . . . . 167.8(4) ?
C26B P1B C38B C39B . . . . 63.2(4) ?
Ru3B P1B C38B C39B . . . . -69.9(4) ?
P1B C38B C39B C40B . . . . 100.8(5) ?
P1B C38B C39B C44B . . . . -82.6(5) ?
C44B C39B C40B C41B . . . . -1.5(7) ?
C38B C39B C40B C41B . . . . 175.1(5) ?
C39B C40B C41B C42B . . . . 0.5(8) ?
C40B C41B C42B C43B . . . . 0.1(9) ?
C41B C42B C43B C44B . . . . 0.3(9) ?
C42B C43B C44B C39B . . . . -1.4(8) ?
C40B C39B C44B C43B . . . . 2.0(8) ?
C38B C39B C44B C43B . . . . -174.7(5) ?
