#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/01/2230147.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_2230147
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Alam, Mohd. Gulfam'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
;
 [μ-Bis(diphenylarsanyl)methane-1:2κ²As:As']nonacarbonyl-1κ³C,2κ³C,3κ³C-(triisopropyl
 phosphite-3κP)-triangulo-triruthenium(0)
;
_journal_coeditor_code           SJ5121
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m545
_journal_page_last               m546
_journal_paper_doi               10.1107/S1600536811012050
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ru3 (C25 H22 As2) (C9 H21 O3 P) (C O)9]'
_chemical_formula_moiety         'C43 H43 As2 O12 P Ru3'
_chemical_formula_sum            'C43 H43 As2 O12 P Ru3'
_chemical_formula_weight         1235.79
_chemical_name_systematic
'[μ-Bis(diphenylarsanyl)methane-1:2κ²As:As']nonacarbonyl-1κ³C,2κ³C,3κ³C-(triisopropyl phosphite-3κP)-triangulo-triruthenium(0)'
_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                93.4940(10)
_cell_angle_beta                 103.2300(10)
_cell_angle_gamma                90.3830(10)
_cell_formula_units_Z            4
_cell_length_a                   12.3481(3)
_cell_length_b                   18.1697(4)
_cell_length_c                   21.5295(5)
_cell_measurement_reflns_used    9785
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      37.57
_cell_measurement_theta_min      2.83
_cell_volume                     4692.39(19)
_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      100.0(10)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type
;
Bruker APEXII DUO CCD area-detector
;
_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  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            161249
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.445
_exptl_absorpt_correction_T_max  0.6591
_exptl_absorpt_correction_T_min  0.4833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.257
_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     1093
_refine_ls_number_reflns         40931
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0239
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0207P)²+3.4447P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0545
_reflns_number_gt                35153
_reflns_number_total             40931
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj5121.cif
_cod_data_source_block           I
_cod_original_cell_volume        4692.38(19)
_cod_database_code               2230147
_cod_database_fobs_code          2230147
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 Ru1A 0.185622(9) 0.312340(6) 0.427544(5) 0.01368(2) Uani d . 1 . .
Ru Ru2A 0.340063(9) 0.193747(6) 0.432267(5) 0.01354(2) Uani d . 1 . .
Ru Ru3A 0.197922(9) 0.197674(6) 0.517361(5) 0.01439(2) Uani d . 1 . .
As As1A 0.236634(11) 0.355824(7) 0.331871(6) 0.01348(2) Uani d . 1 . .
As As2A 0.428726(11) 0.234754(8) 0.351165(6) 0.01387(2) Uani d . 1 . .
P P1A 0.05349(3) 0.20550(2) 0.567872(17) 0.01507(6) Uani d . 1 . .
O O1A -0.03079(10) 0.22772(7) 0.36225(6) 0.0276(2) Uani d . 1 . .
O O2A 0.03402(11) 0.43647(7) 0.44928(6) 0.0281(3) Uani d . 1 . .
O O3A 0.37695(11) 0.39986(7) 0.51876(6) 0.0268(2) Uani d . 1 . .
O O4A 0.51675(10) 0.26282(7) 0.54581(6) 0.0247(2) Uani d . 1 . .
O O5A 0.43156(12) 0.03960(7) 0.44851(7) 0.0338(3) Uani d . 1 . .
O O6A 0.16098(10) 0.13352(7) 0.31667(6) 0.0269(2) Uani d . 1 . .
O O7A 0.04765(11) 0.08535(7) 0.42250(6) 0.0293(2) Uani d . 1 . .
O O8A 0.32119(11) 0.06903(7) 0.58178(6) 0.0302(3) Uani d . 1 . .
O O9A 0.33184(11) 0.30623(8) 0.62211(6) 0.0303(3) Uani d . 1 . .
O O10A 0.04745(9) 0.14607(6) 0.61850(5) 0.01956(19) Uani d . 1 . .
O O11A -0.06140(9) 0.18840(6) 0.51830(5) 0.01920(19) Uani d . 1 . .
O O12A 0.03848(9) 0.27785(6) 0.61109(5) 0.01966(19) Uani d . 1 . .
C C1A 0.12125(11) 0.38267(7) 0.25888(7) 0.0154(2) Uani d . 1 . .
C C2A 0.02752(13) 0.41811(9) 0.27021(8) 0.0230(3) Uani d . 1 . .
H H2AA 0.0163 0.4234 0.3115 0.028 Uiso calc R 1 . .
C C3A -0.04975(14) 0.44579(10) 0.21959(9) 0.0270(3) Uani d . 1 . .
H H3AA -0.1118 0.4701 0.2274 0.032 Uiso calc R 1 . .
C C4A -0.03447(13) 0.43732(9) 0.15792(8) 0.0229(3) Uani d . 1 . .
H H4AA -0.0861 0.4560 0.1244 0.027 Uiso calc R 1 . .
C C5A 0.05729(14) 0.40114(10) 0.14619(8) 0.0258(3) Uani d . 1 . .
H H5AA 0.0667 0.3945 0.1046 0.031 Uiso calc R 1 . .
C C6A 0.13607(13) 0.37452(9) 0.19675(7) 0.0234(3) Uani d . 1 . .
H H6AA 0.1988 0.3512 0.1888 0.028 Uiso calc R 1 . .
C C7A 0.32135(11) 0.44843(8) 0.34206(7) 0.0158(2) Uani d . 1 . .
C C8A 0.38946(14) 0.46559(9) 0.30141(8) 0.0221(3) Uani d . 1 . .
H H8AA 0.4005 0.4307 0.2701 0.027 Uiso calc R 1 . .
C C9A 0.44112(14) 0.53480(9) 0.30737(8) 0.0239(3) Uani d . 1 . .
H H9AA 0.4866 0.5458 0.2801 0.029 Uiso calc R 1 . .
C C10A 0.42536(13) 0.58731(9) 0.35355(8) 0.0222(3) Uani d . 1 . .
H H10A 0.4602 0.6334 0.3574 0.027 Uiso calc R 1 . .
C C11A 0.35700(14) 0.57061(9) 0.39414(8) 0.0231(3) Uani d . 1 . .
H H11A 0.3459 0.6058 0.4252 0.028 Uiso calc R 1 . .
C C12A 0.30522(13) 0.50151(8) 0.38852(7) 0.0195(2) Uani d . 1 . .
H H12A 0.2597 0.4907 0.4158 0.023 Uiso calc R 1 . .
C C13A 0.32281(12) 0.28819(8) 0.28830(6) 0.0162(2) Uani d . 1 . .
H H13A 0.2728 0.2533 0.2594 0.019 Uiso calc R 1 . .
H H13B 0.3628 0.3159 0.2632 0.019 Uiso calc R 1 . .
C C14A 0.47177(12) 0.15555(7) 0.29804(7) 0.0163(2) Uani d . 1 . .
C C15A 0.54633(13) 0.10433(9) 0.32842(7) 0.0217(3) Uani d . 1 . .
H H15A 0.5753 0.1102 0.3723 0.026 Uiso calc R 1 . .
C C16A 0.57737(14) 0.04462(9) 0.29348(8) 0.0243(3) Uani d . 1 . .
H H16A 0.6276 0.0110 0.3138 0.029 Uiso calc R 1 . .
C C17A 0.53324(14) 0.03528(8) 0.22813(8) 0.0230(3) Uani d . 1 . .
H H17A 0.5542 -0.0046 0.2046 0.028 Uiso calc R 1 . .
C C18A 0.45801(14) 0.08520(8) 0.19785(7) 0.0219(3) Uani d . 1 . .
H H18A 0.4278 0.0784 0.1541 0.026 Uiso calc R 1 . .
C C19A 0.42734(13) 0.14551(8) 0.23259(7) 0.0184(2) Uani d . 1 . .
H H19A 0.3771 0.1791 0.2120 0.022 Uiso calc R 1 . .
C C20A 0.55895(12) 0.30004(8) 0.37121(7) 0.0171(2) Uani d . 1 . .
C C21A 0.56048(13) 0.36082(8) 0.41418(7) 0.0208(3) Uani d . 1 . .
H H21A 0.5007 0.3686 0.4332 0.025 Uiso calc R 1 . .
C C22A 0.65110(15) 0.40982(9) 0.42867(8) 0.0267(3) Uani d . 1 . .
H H22A 0.6512 0.4509 0.4567 0.032 Uiso calc R 1 . .
C C23A 0.74138(14) 0.39751(10) 0.40137(9) 0.0288(3) Uani d . 1 . .
H H23A 0.8021 0.4302 0.4112 0.035 Uiso calc R 1 . .
C C24A 0.74112(14) 0.33647(10) 0.35934(9) 0.0271(3) Uani d . 1 . .
H H24A 0.8021 0.3279 0.3415 0.033 Uiso calc R 1 . .
C C25A 0.64965(13) 0.28783(9) 0.34373(8) 0.0216(3) Uani d . 1 . .
H H25A 0.6492 0.2474 0.3151 0.026 Uiso calc R 1 . .
C C26A 0.13545(13) 0.13752(9) 0.67551(7) 0.0226(3) Uani d . 1 . .
H H26A 0.2071 0.1510 0.6666 0.027 Uiso calc R 1 . .
C C27A 0.1157(2) 0.18750(15) 0.73067(11) 0.0520(5) Uani d . 1 . .
H H27A 0.1225 0.2381 0.7213 0.078 Uiso calc R 1 . .
H H27B 0.1698 0.1780 0.7689 0.078 Uiso calc R 1 . .
H H27C 0.0424 0.1781 0.7368 0.078 Uiso calc R 1 . .
C C28A 0.13514(19) 0.05692(11) 0.68819(11) 0.0395(5) Uani d . 1 . .
H H28A 0.1436 0.0279 0.6509 0.059 Uiso calc R 1 . .
H H28B 0.0660 0.0437 0.6982 0.059 Uiso calc R 1 . .
H H28C 0.1956 0.0477 0.7235 0.059 Uiso calc R 1 . .
C C29A -0.16430(12) 0.16323(9) 0.53451(8) 0.0219(3) Uani d . 1 . .
H H29A -0.1631 0.1786 0.5791 0.026 Uiso calc R 1 . .
C C30A -0.17230(18) 0.08025(11) 0.52515(13) 0.0427(4) Uani d . 1 . .
H H30A -0.1106 0.0593 0.5537 0.064 Uiso calc R 1 . .
H H30B -0.1707 0.0654 0.4818 0.064 Uiso calc R 1 . .
H H30C -0.2407 0.0632 0.5340 0.064 Uiso calc R 1 . .
C C31A -0.25866(18) 0.19967(14) 0.49048(12) 0.0440(4) Uani d . 1 . .
H H31A -0.2528 0.2521 0.4996 0.066 Uiso calc R 1 . .
H H31B -0.3283 0.1818 0.4969 0.066 Uiso calc R 1 . .
H H31C -0.2549 0.1883 0.4469 0.066 Uiso calc R 1 . .
C C32A 0.04283(14) 0.35253(8) 0.59024(8) 0.0223(3) Uani d . 1 . .
H H32A 0.0905 0.3536 0.5596 0.027 Uiso calc R 1 . .
C C33A -0.07353(16) 0.37404(10) 0.55800(10) 0.0302(4) Uani d . 1 . .
H H33A -0.0996 0.3430 0.5197 0.045 Uiso calc R 1 . .
H H33B -0.0728 0.4246 0.5474 0.045 Uiso calc R 1 . .
H H33C -0.1221 0.3683 0.5865 0.045 Uiso calc R 1 . .
C C34A 0.09399(19) 0.40151(10) 0.64906(10) 0.0348(4) Uani d . 1 . .
H H34A 0.1656 0.3833 0.6688 0.052 Uiso calc R 1 . .
H H34B 0.0466 0.4014 0.6787 0.052 Uiso calc R 1 . .
H H34C 0.1023 0.4509 0.6370 0.052 Uiso calc R 1 . .
C C35A 0.05387(13) 0.25422(8) 0.38600(7) 0.0198(3) Uani d . 1 . .
C C36A 0.09066(13) 0.38836(8) 0.44165(7) 0.0186(2) Uani d . 1 . .
C C37A 0.30942(13) 0.36302(8) 0.48535(7) 0.0194(2) Uani d . 1 . .
C C38A 0.44768(12) 0.23894(8) 0.50448(7) 0.0181(2) Uani d . 1 . .
C C39A 0.40018(13) 0.09858(9) 0.44396(7) 0.0209(3) Uani d . 1 . .
C C40A 0.22252(12) 0.15734(8) 0.36194(7) 0.0189(2) Uani d . 1 . .
C C41A 0.10377(13) 0.12908(8) 0.45433(7) 0.0207(3) Uani d . 1 . .
C C42A 0.27394(13) 0.11760(9) 0.55825(7) 0.0208(3) Uani d . 1 . .
C C43A 0.28449(13) 0.26821(9) 0.58020(7) 0.0211(3) Uani d . 1 . .
Ru Ru1B 0.339824(9) 0.737543(6) 0.020451(5) 0.01278(2) Uani d . 1 . .
Ru Ru2B 0.554997(9) 0.807238(6) 0.065368(5) 0.01303(2) Uani d . 1 . .
Ru Ru3B 0.409502(9) 0.797940(6) 0.148373(5) 0.01333(2) Uani d . 1 . .
As As1B 0.354067(12) 0.725193(8) -0.090391(7) 0.01419(2) Uani d . 1 . .
As As2B 0.617117(12) 0.757903(8) -0.027337(7) 0.01422(2) Uani d . 1 . .
P P1B 0.24434(3) 0.79901(2) 0.179505(17) 0.01526(6) Uani d . 1 . .
O O1B 0.48228(10) 0.60037(6) 0.04909(6) 0.0230(2) Uani d . 1 . .
O O2B 0.12319(10) 0.65451(7) 0.01519(7) 0.0297(3) Uani d . 1 . .
O O3B 0.19725(10) 0.87497(6) -0.00891(6) 0.0250(2) Uani d . 1 . .
O O4B 0.43815(10) 0.92849(6) -0.01740(6) 0.0259(2) Uani d . 1 . .
O O5B 0.72668(10) 0.92191(7) 0.13537(6) 0.0285(2) Uani d . 1 . .
O O6B 0.67389(10) 0.68923(6) 0.15124(6) 0.0234(2) Uani d . 1 . .
O O7B 0.44806(12) 0.63705(7) 0.18197(6) 0.0296(3) Uani d . 1 . .
O O8B 0.58619(11) 0.84901(8) 0.26636(6) 0.0324(3) Uani d . 1 . .
O O9B 0.35312(11) 0.95402(6) 0.10515(6) 0.0254(2) Uani d . 1 . .
O O10B 0.24208(10) 0.83223(7) 0.24973(6) 0.0260(2) Uani d . 1 . .
O O11B 0.17395(9) 0.72522(6) 0.17894(6) 0.0217(2) Uani d . 1 . .
O O12B 0.15674(9) 0.84427(6) 0.13157(5) 0.0203(2) Uani d . 1 . .
C C1B 0.33933(12) 0.62820(7) -0.13510(7) 0.0163(2) Uani d . 1 . .
C C2B 0.35030(13) 0.62110(8) -0.19829(7) 0.0201(3) Uani d . 1 . .
H H2BA 0.3574 0.6630 -0.2200 0.024 Uiso calc R 1 . .
C C3B 0.35059(14) 0.55150(9) -0.22884(7) 0.0227(3) Uani d . 1 . .
H H3BA 0.3578 0.5468 -0.2709 0.027 Uiso calc R 1 . .
C C4B 0.34000(13) 0.48894(9) -0.19637(8) 0.0227(3) Uani d . 1 . .
H H4BA 0.3419 0.4423 -0.2165 0.027 Uiso calc R 1 . .
C C5B 0.32664(12) 0.49591(8) -0.13416(7) 0.0200(3) Uani d . 1 . .
H H5BA 0.3180 0.4540 -0.1129 0.024 Uiso calc R 1 . .
C C6B 0.32616(12) 0.56564(8) -0.10337(7) 0.0177(2) Uani d . 1 . .
H H6BA 0.3170 0.5702 -0.0616 0.021 Uiso calc R 1 . .
C C7B 0.25050(12) 0.78285(8) -0.14899(7) 0.0169(2) Uani d . 1 . .
C C8B 0.27299(15) 0.85673(9) -0.15500(9) 0.0279(3) Uani d . 1 . .
H H8BA 0.3416 0.8778 -0.1343 0.033 Uiso calc R 1 . .
C C9B 0.19267(16) 0.89929(9) -0.19204(9) 0.0317(4) Uani d . 1 . .
H H9BA 0.2081 0.9487 -0.1961 0.038 Uiso calc R 1 . .
C C10B 0.09035(15) 0.86873(9) -0.22268(8) 0.0272(3) Uani d . 1 . .
H H10B 0.0372 0.8972 -0.2477 0.033 Uiso calc R 1 . .
C C11B 0.06720(13) 0.79510(9) -0.21592(8) 0.0235(3) Uani d . 1 . .
H H11B -0.0020 0.7745 -0.2360 0.028 Uiso calc R 1 . .
C C12B 0.14688(12) 0.75218(8) -0.17930(7) 0.0197(3) Uani d . 1 . .
H H12B 0.1310 0.7029 -0.1750 0.024 Uiso calc R 1 . .
C C13B 0.49808(12) 0.75811(8) -0.10505(7) 0.0188(2) Uani d . 1 . .
H H13C 0.5175 0.7258 -0.1382 0.023 Uiso calc R 1 . .
H H13D 0.4912 0.8076 -0.1199 0.023 Uiso calc R 1 . .
C C14B 0.67501(13) 0.65916(8) -0.02879(7) 0.0190(3) Uani d . 1 . .
C C15B 0.77084(15) 0.64590(9) 0.01763(8) 0.0255(3) Uani d . 1 . .
H H15B 0.7999 0.6823 0.0495 0.031 Uiso calc R 1 . .
C C16B 0.82291(18) 0.57824(10) 0.01631(10) 0.0337(4) Uani d . 1 . .
H H16B 0.8874 0.5696 0.0468 0.040 Uiso calc R 1 . .
C C17B 0.77798(18) 0.52375(10) -0.03081(11) 0.0370(5) Uani d . 1 . .
H H17B 0.8129 0.4787 -0.0320 0.044 Uiso calc R 1 . .
C C18B 0.68180(17) 0.53615(10) -0.07589(11) 0.0357(4) Uani d . 1 . .
H H18B 0.6513 0.4990 -0.1067 0.043 Uiso calc R 1 . .
C C19B 0.63018(14) 0.60414(9) -0.07547(9) 0.0265(3) Uani d . 1 . .
H H19B 0.5660 0.6126 -0.1063 0.032 Uiso calc R 1 . .
C C20B 0.73519(12) 0.81087(8) -0.05346(7) 0.0173(2) Uani d . 1 . .
C C21B 0.80847(14) 0.77348(9) -0.08396(8) 0.0247(3) Uani d . 1 . .
H H21B 0.7994 0.7229 -0.0937 0.030 Uiso calc R 1 . .
C C22B 0.89520(16) 0.81160(10) -0.09990(10) 0.0316(4) Uani d . 1 . .
H H22B 0.9443 0.7864 -0.1201 0.038 Uiso calc R 1 . .
C C23B 0.90882(15) 0.88701(10) -0.08582(10) 0.0307(4) Uani d . 1 . .
H H23B 0.9672 0.9124 -0.0963 0.037 Uiso calc R 1 . .
C C24B 0.83519(14) 0.92459(9) -0.05607(9) 0.0267(3) Uani d . 1 . .
H H24B 0.8437 0.9753 -0.0472 0.032 Uiso calc R 1 . .
C C25B 0.74863(12) 0.88669(8) -0.03947(8) 0.0208(3) Uani d . 1 . .
H H25B 0.6999 0.9120 -0.0191 0.025 Uiso calc R 1 . .
C C26B 0.31227(16) 0.89327(10) 0.28401(9) 0.0305(4) Uani d . 1 . .
H H26B 0.3632 0.9091 0.2583 0.037 Uiso calc R 1 . .
C C27B 0.2382(2) 0.95604(15) 0.29488(11) 0.0520(5) Uani d . 1 . .
H H27D 0.1988 0.9722 0.2544 0.078 Uiso calc R 1 . .
H H27E 0.2828 0.9962 0.3190 0.078 Uiso calc R 1 . .
H H27F 0.1858 0.9397 0.3182 0.078 Uiso calc R 1 . .
C C28B 0.37867(18) 0.86573(14) 0.34603(9) 0.0392(4) Uani d . 1 . .
H H28D 0.4231 0.8251 0.3369 0.059 Uiso calc R 1 . .
H H28E 0.3287 0.8498 0.3710 0.059 Uiso calc R 1 . .
H H28F 0.4263 0.9048 0.3696 0.059 Uiso calc R 1 . .
C C29B 0.20585(15) 0.66959(10) 0.22553(10) 0.0293(4) Uani d . 1 . .
H H29B 0.2850 0.6757 0.2464 0.035 Uiso calc R 1 . .
C C30B 0.18501(18) 0.59571(11) 0.18843(13) 0.0427(4) Uani d . 1 . .
H H30D 0.2279 0.5930 0.1564 0.064 Uiso calc R 1 . .
H H30E 0.1074 0.5900 0.1682 0.064 Uiso calc R 1 . .
H H30F 0.2065 0.5571 0.2170 0.064 Uiso calc R 1 . .
C C31B 0.13696(18) 0.67900(14) 0.27457(12) 0.0440(4) Uani d . 1 . .
H H31D 0.1547 0.7259 0.2980 0.066 Uiso calc R 1 . .
H H31E 0.1527 0.6403 0.3035 0.066 Uiso calc R 1 . .
H H31F 0.0594 0.6769 0.2535 0.066 Uiso calc R 1 . .
C C32B 0.04202(12) 0.85458(9) 0.13787(8) 0.0227(3) Uani d . 1 . .
H H32B 0.0375 0.8471 0.1819 0.027 Uiso calc R 1 . .
C C33B -0.03334(15) 0.79981(11) 0.09303(11) 0.0365(4) Uani d . 1 . .
H H33D -0.0127 0.7507 0.1045 0.055 Uiso calc R 1 . .
H H33E -0.0266 0.8058 0.0501 0.055 Uiso calc R 1 . .
H H33F -0.1089 0.8078 0.0958 0.055 Uiso calc R 1 . .
C C34B 0.01410(15) 0.93339(10) 0.12292(11) 0.0319(4) Uani d . 1 . .
H H34D 0.0661 0.9663 0.1518 0.048 Uiso calc R 1 . .
H H34E -0.0599 0.9433 0.1278 0.048 Uiso calc R 1 . .
H H34F 0.0184 0.9407 0.0797 0.048 Uiso calc R 1 . .
C C35B 0.43313(12) 0.65362(8) 0.04108(7) 0.0171(2) Uani d . 1 . .
C C36B 0.20505(12) 0.68588(8) 0.01746(7) 0.0191(2) Uani d . 1 . .
C C37B 0.25441(12) 0.82674(8) 0.00457(7) 0.0179(2) Uani d . 1 . .
C C38B 0.47542(12) 0.88203(8) 0.01420(7) 0.0184(2) Uani d . 1 . .
C C39B 0.66404(12) 0.87716(8) 0.10905(7) 0.0182(2) Uani d . 1 . .
C C40B 0.62378(12) 0.73118(8) 0.11932(7) 0.0178(2) Uani d . 1 . .
C C41B 0.43382(13) 0.69593(8) 0.16652(7) 0.0203(3) Uani d . 1 . .
C C42B 0.51685(13) 0.83132(9) 0.22284(7) 0.0213(3) Uani d . 1 . .
C C43B 0.37617(12) 0.89545(8) 0.11856(7) 0.0188(2) 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
C36A Ru1A C37A . . 90.69(6) ?
C36A Ru1A C35A . . 87.60(6) ?
C37A Ru1A C35A . . 167.69(6) ?
C36A Ru1A As1A . . 98.87(4) ?
C37A Ru1A As1A . . 93.49(4) ?
C35A Ru1A As1A . . 98.82(4) ?
C36A Ru1A Ru2A . . 168.90(4) ?
C37A Ru1A Ru2A . . 83.29(4) ?
C35A Ru1A Ru2A . . 96.28(4) ?
As1A Ru1A Ru2A . . 90.831(5) ?
C36A Ru1A Ru3A . . 112.69(4) ?
C37A Ru1A Ru3A . . 89.28(4) ?
C35A Ru1A Ru3A . . 80.16(4) ?
As1A Ru1A Ru3A . . 148.290(6) ?
Ru2A Ru1A Ru3A . . 58.107(4) ?
C39A Ru2A C40A . . 92.15(6) ?
C39A Ru2A C38A . . 93.44(6) ?
C40A Ru2A C38A . . 173.78(6) ?
C39A Ru2A As2A . . 100.95(5) ?
C40A Ru2A As2A . . 85.40(4) ?
C38A Ru2A As2A . . 96.18(4) ?
C39A Ru2A Ru3A . . 100.87(5) ?
C40A Ru2A Ru3A . . 92.12(4) ?
C38A Ru2A Ru3A . . 84.17(4) ?
As2A Ru2A Ru3A . . 158.123(6) ?
C39A Ru2A Ru1A . . 159.78(5) ?
C40A Ru2A Ru1A . . 79.49(4) ?
C38A Ru2A Ru1A . . 94.34(4) ?
As2A Ru2A Ru1A . . 96.728(5) ?
Ru3A Ru2A Ru1A . . 61.503(4) ?
C42A Ru3A C43A . . 91.93(7) ?
C42A Ru3A C41A . . 90.06(7) ?
C43A Ru3A C41A . . 177.11(6) ?
C42A Ru3A P1A . . 99.67(5) ?
C43A Ru3A P1A . . 90.64(4) ?
C41A Ru3A P1A . . 86.96(5) ?
C42A Ru3A Ru2A . . 89.59(4) ?
C43A Ru3A Ru2A . . 96.93(4) ?
C41A Ru3A Ru2A . . 85.17(4) ?
P1A Ru3A Ru2A . . 167.852(10) ?
C42A Ru3A Ru1A . . 149.34(5) ?
C43A Ru3A Ru1A . . 86.14(5) ?
C41A Ru3A Ru1A . . 93.21(4) ?
P1A Ru3A Ru1A . . 110.938(10) ?
Ru2A Ru3A Ru1A . . 60.390(4) ?
C7A As1A C1A . . 96.02(6) ?
C7A As1A C13A . . 103.29(6) ?
C1A As1A C13A . . 100.05(6) ?
C7A As1A Ru1A . . 117.13(4) ?
C1A As1A Ru1A . . 120.27(4) ?
C13A As1A Ru1A . . 116.55(4) ?
C14A As2A C20A . . 102.99(6) ?
C14A As2A C13A . . 101.98(6) ?
C20A As2A C13A . . 102.67(6) ?
C14A As2A Ru2A . . 114.16(4) ?
C20A As2A Ru2A . . 122.44(4) ?
C13A As2A Ru2A . . 110.20(4) ?
O11A P1A O10A . . 100.18(6) ?
O11A P1A O12A . . 107.60(6) ?
O10A P1A O12A . . 98.03(6) ?
O11A P1A Ru3A . . 110.48(4) ?
O10A P1A Ru3A . . 117.33(4) ?
O12A P1A Ru3A . . 120.75(4) ?
C26A O10A P1A . . 123.23(10) ?
C29A O11A P1A . . 125.30(10) ?
C32A O12A P1A . . 123.41(9) ?
C6A C1A C2A . . 119.26(13) ?
C6A C1A As1A . . 121.58(10) ?
C2A C1A As1A . . 118.78(11) ?
C1A C2A C3A . . 119.99(15) ?
C1A C2A H2AA . . 120.0 ?
C3A C2A H2AA . . 120.0 ?
C4A C3A C2A . . 120.36(15) ?
C4A C3A H3AA . . 119.8 ?
C2A C3A H3AA . . 119.8 ?
C5A C4A C3A . . 119.95(14) ?
C5A C4A H4AA . . 120.0 ?
C3A C4A H4AA . . 120.0 ?
C4A C5A C6A . . 120.02(15) ?
C4A C5A H5AA . . 120.0 ?
C6A C5A H5AA . . 120.0 ?
C1A C6A C5A . . 120.39(14) ?
C1A C6A H6AA . . 119.8 ?
C5A C6A H6AA . . 119.8 ?
C8A C7A C12A . . 119.20(13) ?
C8A C7A As1A . . 122.40(11) ?
C12A C7A As1A . . 118.18(10) ?
C9A C8A C7A . . 120.24(14) ?
C9A C8A H8AA . . 119.9 ?
C7A C8A H8AA . . 119.9 ?
C10A C9A C8A . . 120.54(14) ?
C10A C9A H9AA . . 119.7 ?
C8A C9A H9AA . . 119.7 ?
C9A C10A C11A . . 119.50(14) ?
C9A C10A H10A . . 120.3 ?
C11A C10A H10A . . 120.3 ?
C12A C11A C10A . . 120.29(14) ?
C12A C11A H11A . . 119.9 ?
C10A C11A H11A . . 119.9 ?
C11A C12A C7A . . 120.23(13) ?
C11A C12A H12A . . 119.9 ?
C7A C12A H12A . . 119.9 ?
As2A C13A As1A . . 110.18(6) ?
As2A C13A H13A . . 109.6 ?
As1A C13A H13A . . 109.6 ?
As2A C13A H13B . . 109.6 ?
As1A C13A H13B . . 109.6 ?
H13A C13A H13B . . 108.1 ?
C19A C14A C15A . . 119.37(13) ?
C19A C14A As2A . . 123.08(10) ?
C15A C14A As2A . . 117.45(11) ?
C16A C15A C14A . . 120.40(14) ?
C16A C15A H15A . . 119.8 ?
C14A C15A H15A . . 119.8 ?
C17A C16A C15A . . 119.87(14) ?
C17A C16A H16A . . 120.1 ?
C15A C16A H16A . . 120.1 ?
C18A C17A C16A . . 120.07(14) ?
C18A C17A H17A . . 120.0 ?
C16A C17A H17A . . 120.0 ?
C17A C18A C19A . . 120.28(14) ?
C17A C18A H18A . . 119.9 ?
C19A C18A H18A . . 119.9 ?
C14A C19A C18A . . 120.00(13) ?
C14A C19A H19A . . 120.0 ?
C18A C19A H19A . . 120.0 ?
C21A C20A C25A . . 119.66(14) ?
C21A C20A As2A . . 118.43(11) ?
C25A C20A As2A . . 121.91(11) ?
C22A C21A C20A . . 120.19(15) ?
C22A C21A H21A . . 119.9 ?
C20A C21A H21A . . 119.9 ?
C23A C22A C21A . . 120.07(16) ?
C23A C22A H22A . . 120.0 ?
C21A C22A H22A . . 120.0 ?
C24A C23A C22A . . 120.01(16) ?
C24A C23A H23A . . 120.0 ?
C22A C23A H23A . . 120.0 ?
C23A C24A C25A . . 120.20(15) ?
C23A C24A H24A . . 119.9 ?
C25A C24A H24A . . 119.9 ?
C20A C25A C24A . . 119.85(15) ?
C20A C25A H25A . . 120.1 ?
C24A C25A H25A . . 120.1 ?
O10A C26A C28A . . 106.24(15) ?
O10A C26A C27A . . 110.15(14) ?
C28A C26A C27A . . 113.22(17) ?
O10A C26A H26A . . 109.0 ?
C28A C26A H26A . . 109.0 ?
C27A C26A H26A . . 109.0 ?
C26A C27A H27A . . 109.5 ?
C26A C27A H27B . . 109.5 ?
H27A C27A H27B . . 109.5 ?
C26A C27A H27C . . 109.5 ?
H27A C27A H27C . . 109.5 ?
H27B C27A H27C . . 109.5 ?
C26A C28A H28A . . 109.5 ?
C26A C28A H28B . . 109.5 ?
H28A C28A H28B . . 109.5 ?
C26A C28A H28C . . 109.5 ?
H28A C28A H28C . . 109.5 ?
H28B C28A H28C . . 109.5 ?
O11A C29A C31A . . 106.39(13) ?
O11A C29A C30A . . 108.61(14) ?
C31A C29A C30A . . 112.14(17) ?
O11A C29A H29A . . 109.9 ?
C31A C29A H29A . . 109.9 ?
C30A C29A H29A . . 109.9 ?
C29A C30A H30A . . 109.5 ?
C29A C30A H30B . . 109.5 ?
H30A C30A H30B . . 109.5 ?
C29A C30A H30C . . 109.5 ?
H30A C30A H30C . . 109.5 ?
H30B C30A H30C . . 109.5 ?
C29A C31A H31A . . 109.5 ?
C29A C31A H31B . . 109.5 ?
H31A C31A H31B . . 109.5 ?
C29A C31A H31C . . 109.5 ?
H31A C31A H31C . . 109.5 ?
H31B C31A H31C . . 109.5 ?
O12A C32A C33A . . 108.69(13) ?
O12A C32A C34A . . 106.76(13) ?
C33A C32A C34A . . 113.43(15) ?
O12A C32A H32A . . 109.3 ?
C33A C32A H32A . . 109.3 ?
C34A C32A H32A . . 109.3 ?
C32A C33A H33A . . 109.5 ?
C32A C33A H33B . . 109.5 ?
H33A C33A H33B . . 109.5 ?
C32A C33A H33C . . 109.5 ?
H33A C33A H33C . . 109.5 ?
H33B C33A H33C . . 109.5 ?
C32A C34A H34A . . 109.5 ?
C32A C34A H34B . . 109.5 ?
H34A C34A H34B . . 109.5 ?
C32A C34A H34C . . 109.5 ?
H34A C34A H34C . . 109.5 ?
H34B C34A H34C . . 109.5 ?
O1A C35A Ru1A . . 171.58(13) ?
O2A C36A Ru1A . . 177.84(13) ?
O3A C37A Ru1A . . 172.82(13) ?
O4A C38A Ru2A . . 175.30(13) ?
O5A C39A Ru2A . . 176.23(15) ?
O6A C40A Ru2A . . 172.77(13) ?
O7A C41A Ru3A . . 173.30(13) ?
O8A C42A Ru3A . . 178.35(14) ?
O9A C43A Ru3A . . 172.86(13) ?
C36B Ru1B C35B . . 95.01(6) ?
C36B Ru1B C37B . . 88.31(6) ?
C35B Ru1B C37B . . 175.52(6) ?
C36B Ru1B As1B . . 102.23(5) ?
C35B Ru1B As1B . . 91.41(4) ?
C37B Ru1B As1B . . 90.82(4) ?
C36B Ru1B Ru3B . . 105.09(5) ?
C35B Ru1B Ru3B . . 90.48(4) ?
C37B Ru1B Ru3B . . 85.74(4) ?
As1B Ru1B Ru3B . . 152.336(6) ?
C36B Ru1B Ru2B . . 162.49(5) ?
C35B Ru1B Ru2B . . 78.46(4) ?
C37B Ru1B Ru2B . . 97.50(4) ?
As1B Ru1B Ru2B . . 94.217(5) ?
Ru3B Ru1B Ru2B . . 59.208(4) ?
C39B Ru2B C38B . . 91.23(6) ?
C39B Ru2B C40B . . 91.03(6) ?
C38B Ru2B C40B . . 175.25(6) ?
C39B Ru2B As2B . . 106.85(4) ?
C38B Ru2B As2B . . 89.22(4) ?
C40B Ru2B As2B . . 94.12(4) ?
C39B Ru2B Ru3B . . 103.35(4) ?
C38B Ru2B Ru3B . . 96.62(4) ?
C40B Ru2B Ru3B . . 78.79(4) ?
As2B Ru2B Ru3B . . 149.091(6) ?
C39B Ru2B Ru1B . . 158.69(4) ?
C38B Ru2B Ru1B . . 78.77(4) ?
C40B Ru2B Ru1B . . 97.72(4) ?
As2B Ru2B Ru1B . . 91.922(5) ?
Ru3B Ru2B Ru1B . . 59.889(4) ?
C42B Ru3B C41B . . 92.30(7) ?
C42B Ru3B C43B . . 94.97(6) ?
C41B Ru3B C43B . . 172.34(6) ?
C42B Ru3B P1B . . 104.57(5) ?
C41B Ru3B P1B . . 92.60(4) ?
C43B Ru3B P1B . . 87.93(4) ?
C42B Ru3B Ru2B . . 94.91(5) ?
C41B Ru3B Ru2B . . 97.33(4) ?
C43B Ru3B Ru2B . . 79.65(4) ?
P1B Ru3B Ru2B . . 157.752(11) ?
C42B Ru3B Ru1B . . 154.24(5) ?
C41B Ru3B Ru1B . . 82.95(5) ?
C43B Ru3B Ru1B . . 89.44(4) ?
P1B Ru3B Ru1B . . 100.939(10) ?
Ru2B Ru3B Ru1B . . 60.904(4) ?
C7B As1B C1B . . 102.58(6) ?
C7B As1B C13B . . 101.61(6) ?
C1B As1B C13B . . 100.11(6) ?
C7B As1B Ru1B . . 115.57(4) ?
C1B As1B Ru1B . . 119.61(4) ?
C13B As1B Ru1B . . 114.69(4) ?
C14B As2B C20B . . 99.33(6) ?
C14B As2B C13B . . 104.39(7) ?
C20B As2B C13B . . 100.91(6) ?
C14B As2B Ru2B . . 119.98(4) ?
C20B As2B Ru2B . . 118.26(4) ?
C13B As2B Ru2B . . 111.40(4) ?
O12B P1B O11B . . 100.20(6) ?
O12B P1B O10B . . 106.00(7) ?
O11B P1B O10B . . 98.48(7) ?
O12B P1B Ru3B . . 109.20(4) ?
O11B P1B Ru3B . . 121.52(5) ?
O10B P1B Ru3B . . 118.99(5) ?
C26B O10B P1B . . 124.91(11) ?
C29B O11B P1B . . 123.45(11) ?
C32B O12B P1B . . 122.81(9) ?
C6B C1B C2B . . 119.84(13) ?
C6B C1B As1B . . 120.55(10) ?
C2B C1B As1B . . 119.44(10) ?
C3B C2B C1B . . 120.03(14) ?
C3B C2B H2BA . . 120.0 ?
C1B C2B H2BA . . 120.0 ?
C2B C3B C4B . . 119.92(14) ?
C2B C3B H3BA . . 120.0 ?
C4B C3B H3BA . . 120.0 ?
C5B C4B C3B . . 120.13(14) ?
C5B C4B H4BA . . 119.9 ?
C3B C4B H4BA . . 119.9 ?
C4B C5B C6B . . 120.12(14) ?
C4B C5B H5BA . . 119.9 ?
C6B C5B H5BA . . 119.9 ?
C1B C6B C5B . . 119.93(13) ?
C1B C6B H6BA . . 120.0 ?
C5B C6B H6BA . . 120.0 ?
C8B C7B C12B . . 119.57(13) ?
C8B C7B As1B . . 120.75(11) ?
C12B C7B As1B . . 119.22(10) ?
C7B C8B C9B . . 119.95(15) ?
C7B C8B H8BA . . 120.0 ?
C9B C8B H8BA . . 120.0 ?
C10B C9B C8B . . 120.52(15) ?
C10B C9B H9BA . . 119.7 ?
C8B C9B H9BA . . 119.7 ?
C9B C10B C11B . . 119.56(15) ?
C9B C10B H10B . . 120.2 ?
C11B C10B H10B . . 120.2 ?
C12B C11B C10B . . 120.33(15) ?
C12B C11B H11B . . 119.8 ?
C10B C11B H11B . . 119.8 ?
C11B C12B C7B . . 120.06(13) ?
C11B C12B H12B . . 120.0 ?
C7B C12B H12B . . 120.0 ?
As2B C13B As1B . . 111.93(7) ?
As2B C13B H13C . . 109.2 ?
As1B C13B H13C . . 109.2 ?
As2B C13B H13D . . 109.2 ?
As1B C13B H13D . . 109.2 ?
H13C C13B H13D . . 107.9 ?
C19B C14B C15B . . 119.88(14) ?
C19B C14B As2B . . 123.26(12) ?
C15B C14B As2B . . 116.72(12) ?
C16B C15B C14B . . 120.07(17) ?
C16B C15B H15B . . 120.0 ?
C14B C15B H15B . . 120.0 ?
C17B C16B C15B . . 119.63(19) ?
C17B C16B H16B . . 120.2 ?
C15B C16B H16B . . 120.2 ?
C18B C17B C16B . . 120.38(16) ?
C18B C17B H17B . . 119.8 ?
C16B C17B H17B . . 119.8 ?
C17B C18B C19B . . 120.30(19) ?
C17B C18B H18B . . 119.8 ?
C19B C18B H18B . . 119.8 ?
C14B C19B C18B . . 119.70(18) ?
C14B C19B H19B . . 120.1 ?
C18B C19B H19B . . 120.1 ?
C21B C20B C25B . . 119.71(13) ?
C21B C20B As2B . . 120.78(11) ?
C25B C20B As2B . . 119.48(11) ?
C22B C21B C20B . . 120.10(15) ?
C22B C21B H21B . . 119.9 ?
C20B C21B H21B . . 119.9 ?
C23B C22B C21B . . 120.21(16) ?
C23B C22B H22B . . 119.9 ?
C21B C22B H22B . . 119.9 ?
C22B C23B C24B . . 119.85(15) ?
C22B C23B H23B . . 120.1 ?
C24B C23B H23B . . 120.1 ?
C23B C24B C25B . . 120.28(15) ?
C23B C24B H24B . . 119.9 ?
C25B C24B H24B . . 119.9 ?
C24B C25B C20B . . 119.84(14) ?
C24B C25B H25B . . 120.1 ?
C20B C25B H25B . . 120.1 ?
O10B C26B C27B . . 108.21(17) ?
O10B C26B C28B . . 107.62(17) ?
C27B C26B C28B . . 112.35(16) ?
O10B C26B H26B . . 109.5 ?
C27B C26B H26B . . 109.5 ?
C28B C26B H26B . . 109.5 ?
C26B C27B H27D . . 109.5 ?
C26B C27B H27E . . 109.5 ?
H27D C27B H27E . . 109.5 ?
C26B C27B H27F . . 109.5 ?
H27D C27B H27F . . 109.5 ?
H27E C27B H27F . . 109.5 ?
C26B C28B H28D . . 109.5 ?
C26B C28B H28E . . 109.5 ?
H28D C28B H28E . . 109.5 ?
C26B C28B H28F . . 109.5 ?
H28D C28B H28F . . 109.5 ?
H28E C28B H28F . . 109.5 ?
O11B C29B C31B . . 108.60(14) ?
O11B C29B C30B . . 106.35(17) ?
C31B C29B C30B . . 112.28(17) ?
O11B C29B H29B . . 109.8 ?
C31B C29B H29B . . 109.8 ?
C30B C29B H29B . . 109.8 ?
C29B C30B H30D . . 109.5 ?
C29B C30B H30E . . 109.5 ?
H30D C30B H30E . . 109.5 ?
C29B C30B H30F . . 109.5 ?
H30D C30B H30F . . 109.5 ?
H30E C30B H30F . . 109.5 ?
C29B C31B H31D . . 109.5 ?
C29B C31B H31E . . 109.5 ?
H31D C31B H31E . . 109.5 ?
C29B C31B H31F . . 109.5 ?
H31D C31B H31F . . 109.5 ?
H31E C31B H31F . . 109.5 ?
O12B C32B C33B . . 109.34(14) ?
O12B C32B C34B . . 106.40(12) ?
C33B C32B C34B . . 112.50(15) ?
O12B C32B H32B . . 109.5 ?
C33B C32B H32B . . 109.5 ?
C34B C32B H32B . . 109.5 ?
C32B C33B H33D . . 109.5 ?
C32B C33B H33E . . 109.5 ?
H33D C33B H33E . . 109.5 ?
C32B C33B H33F . . 109.5 ?
H33D C33B H33F . . 109.5 ?
H33E C33B H33F . . 109.5 ?
C32B C34B H34D . . 109.5 ?
C32B C34B H34E . . 109.5 ?
H34D C34B H34E . . 109.5 ?
C32B C34B H34F . . 109.5 ?
H34D C34B H34F . . 109.5 ?
H34E C34B H34F . . 109.5 ?
O1B C35B Ru1B . . 174.05(13) ?
O2B C36B Ru1B . . 179.52(15) ?
O3B C37B Ru1B . . 173.51(13) ?
O4B C38B Ru2B . . 173.16(13) ?
O5B C39B Ru2B . . 176.98(13) ?
O6B C40B Ru2B . . 173.57(13) ?
O7B C41B Ru3B . . 174.79(14) ?
O8B C42B Ru3B . . 175.89(14) ?
O9B C43B Ru3B . . 174.57(13) ?
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 C36A . 1.8731(14) ?
Ru1A C37A . 1.9246(16) ?
Ru1A C35A . 1.9386(16) ?
Ru1A As1A . 2.45955(17) ?
Ru1A Ru2A . 2.87808(16) ?
Ru1A Ru3A . 2.90929(15) ?
Ru2A C39A . 1.8945(15) ?
Ru2A C40A . 1.9225(15) ?
Ru2A C38A . 1.9343(15) ?
Ru2A As2A . 2.41356(17) ?
Ru2A Ru3A . 2.81062(15) ?
Ru3A C42A . 1.8891(15) ?
Ru3A C43A . 1.9298(16) ?
Ru3A C41A . 1.9491(16) ?
Ru3A P1A . 2.2926(4) ?
As1A C7A . 1.9494(14) ?
As1A C1A . 1.9532(13) ?
As1A C13A . 1.9638(13) ?
As2A C14A . 1.9363(14) ?
As2A C20A . 1.9426(14) ?
As2A C13A . 1.9626(13) ?
P1A O11A . 1.5839(11) ?
P1A O10A . 1.5935(10) ?
P1A O12A . 1.6003(11) ?
O1A C35A . 1.142(2) ?
O2A C36A . 1.1505(18) ?
O3A C37A . 1.149(2) ?
O4A C38A . 1.1437(19) ?
O5A C39A . 1.1441(19) ?
O6A C40A . 1.1489(19) ?
O7A C41A . 1.136(2) ?
O8A C42A . 1.1410(19) ?
O9A C43A . 1.145(2) ?
O10A C26A . 1.4584(19) ?
O11A C29A . 1.4697(18) ?
O12A C32A . 1.4595(18) ?
C1A C6A . 1.390(2) ?
C1A C2A . 1.391(2) ?
C2A C3A . 1.396(2) ?
C2A H2AA . 0.9300 ?
C3A C4A . 1.383(2) ?
C3A H3AA . 0.9300 ?
C4A C5A . 1.379(2) ?
C4A H4AA . 0.9300 ?
C5A C6A . 1.397(2) ?
C5A H5AA . 0.9300 ?
C6A H6AA . 0.9300 ?
C7A C8A . 1.392(2) ?
C7A C12A . 1.395(2) ?
C8A C9A . 1.392(2) ?
C8A H8AA . 0.9300 ?
C9A C10A . 1.383(2) ?
C9A H9AA . 0.9300 ?
C10A C11A . 1.391(2) ?
C10A H10A . 0.9300 ?
C11A C12A . 1.391(2) ?
C11A H11A . 0.9300 ?
C12A H12A . 0.9300 ?
C13A H13A . 0.9700 ?
C13A H13B . 0.9700 ?
C14A C19A . 1.391(2) ?
C14A C15A . 1.397(2) ?
C15A C16A . 1.388(2) ?
C15A H15A . 0.9300 ?
C16A C17A . 1.387(2) ?
C16A H16A . 0.9300 ?
C17A C18A . 1.385(2) ?
C17A H17A . 0.9300 ?
C18A C19A . 1.393(2) ?
C18A H18A . 0.9300 ?
C19A H19A . 0.9300 ?
C20A C21A . 1.394(2) ?
C20A C25A . 1.394(2) ?
C21A C22A . 1.391(2) ?
C21A H21A . 0.9300 ?
C22A C23A . 1.387(3) ?
C22A H22A . 0.9300 ?
C23A C24A . 1.388(3) ?
C23A H23A . 0.9300 ?
C24A C25A . 1.395(2) ?
C24A H24A . 0.9300 ?
C25A H25A . 0.9300 ?
C26A C28A . 1.506(2) ?
C26A C27A . 1.516(3) ?
C26A H26A . 0.9800 ?
C27A H27A . 0.9600 ?
C27A H27B . 0.9600 ?
C27A H27C . 0.9600 ?
C28A H28A . 0.9600 ?
C28A H28B . 0.9600 ?
C28A H28C . 0.9600 ?
C29A C31A . 1.509(3) ?
C29A C30A . 1.509(3) ?
C29A H29A . 0.9800 ?
C30A H30A . 0.9600 ?
C30A H30B . 0.9600 ?
C30A H30C . 0.9600 ?
C31A H31A . 0.9600 ?
C31A H31B . 0.9600 ?
C31A H31C . 0.9600 ?
C32A C33A . 1.511(3) ?
C32A C34A . 1.511(3) ?
C32A H32A . 0.9800 ?
C33A H33A . 0.9600 ?
C33A H33B . 0.9600 ?
C33A H33C . 0.9600 ?
C34A H34A . 0.9600 ?
C34A H34B . 0.9600 ?
C34A H34C . 0.9600 ?
Ru1B C36B . 1.8914(15) ?
Ru1B C35B . 1.9292(14) ?
Ru1B C37B . 1.9445(14) ?
Ru1B As1B . 2.42970(18) ?
Ru1B Ru3B . 2.83973(16) ?
Ru1B Ru2B . 2.86845(16) ?
Ru2B C39B . 1.8876(15) ?
Ru2B C38B . 1.9315(15) ?
Ru2B C40B . 1.9340(15) ?
Ru2B As2B . 2.42226(18) ?
Ru2B Ru3B . 2.81996(15) ?
Ru3B C42B . 1.8955(16) ?
Ru3B C41B . 1.9287(15) ?
Ru3B C43B . 1.9359(15) ?
Ru3B P1B . 2.2877(4) ?
As1B C7B . 1.9404(14) ?
As1B C1B . 1.9426(14) ?
As1B C13B . 1.9711(14) ?
As2B C14B . 1.9369(14) ?
As2B C20B . 1.9470(13) ?
As2B C13B . 1.9583(15) ?
P1B O12B . 1.5860(11) ?
P1B O11B . 1.5909(11) ?
P1B O10B . 1.5997(12) ?
O1B C35B . 1.1464(18) ?
O2B C36B . 1.1469(18) ?
O3B C37B . 1.1384(18) ?
O4B C38B . 1.1486(18) ?
O5B C39B . 1.1470(18) ?
O6B C40B . 1.1452(18) ?
O7B C41B . 1.1426(18) ?
O8B C42B . 1.143(2) ?
O9B C43B . 1.1406(18) ?
O10B C26B . 1.456(2) ?
O11B C29B . 1.4596(19) ?
O12B C32B . 1.4658(18) ?
C1B C6B . 1.3887(19) ?
C1B C2B . 1.396(2) ?
C2B C3B . 1.390(2) ?
C2B H2BA . 0.9300 ?
C3B C4B . 1.391(2) ?
C3B H3BA . 0.9300 ?
C4B C5B . 1.385(2) ?
C4B H4BA . 0.9300 ?
C5B C6B . 1.395(2) ?
C5B H5BA . 0.9300 ?
C6B H6BA . 0.9300 ?
C7B C8B . 1.389(2) ?
C7B C12B . 1.392(2) ?
C8B C9B . 1.393(2) ?
C8B H8BA . 0.9300 ?
C9B C10B . 1.380(2) ?
C9B H9BA . 0.9300 ?
C10B C11B . 1.389(2) ?
C10B H10B . 0.9300 ?
C11B C12B . 1.389(2) ?
C11B H11B . 0.9300 ?
C12B H12B . 0.9300 ?
C13B H13C . 0.9700 ?
C13B H13D . 0.9700 ?
C14B C19B . 1.390(2) ?
C14B C15B . 1.396(2) ?
C15B C16B . 1.393(2) ?
C15B H15B . 0.9300 ?
C16B C17B . 1.389(3) ?
C16B H16B . 0.9300 ?
C17B C18B . 1.380(3) ?
C17B H17B . 0.9300 ?
C18B C19B . 1.394(2) ?
C18B H18B . 0.9300 ?
C19B H19B . 0.9300 ?
C20B C21B . 1.392(2) ?
C20B C25B . 1.393(2) ?
C21B C22B . 1.390(2) ?
C21B H21B . 0.9300 ?
C22B C23B . 1.386(3) ?
C22B H22B . 0.9300 ?
C23B C24B . 1.387(2) ?
C23B H23B . 0.9300 ?
C24B C25B . 1.393(2) ?
C24B H24B . 0.9300 ?
C25B H25B . 0.9300 ?
C26B C27B . 1.507(3) ?
C26B C28B . 1.514(3) ?
C26B H26B . 0.9800 ?
C27B H27D . 0.9600 ?
C27B H27E . 0.9600 ?
C27B H27F . 0.9600 ?
C28B H28D . 0.9600 ?
C28B H28E . 0.9600 ?
C28B H28F . 0.9600 ?
C29B C31B . 1.503(3) ?
C29B C30B . 1.509(3) ?
C29B H29B . 0.9800 ?
C30B H30D . 0.9600 ?
C30B H30E . 0.9600 ?
C30B H30F . 0.9600 ?
C31B H31D . 0.9600 ?
C31B H31E . 0.9600 ?
C31B H31F . 0.9600 ?
C32B C33B . 1.499(3) ?
C32B C34B . 1.512(2) ?
C32B H32B . 0.9800 ?
C33B H33D . 0.9600 ?
C33B H33E . 0.9600 ?
C33B H33F . 0.9600 ?
C34B H34D . 0.9600 ?
C34B H34E . 0.9600 ?
C34B H34F . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C10B H10B O6A 2_565 0.93 2.59 3.293(2) 132 yes
C17B H17B O2B 2_665 0.93 2.57 3.477(2) 165 yes
C33A H33B O2A 2_566 0.96 2.56 3.492(2) 164 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
C36A Ru1A Ru2A C39A . . . . 67.2(3) ?
C37A Ru1A Ru2A C39A . . . . 124.74(14) ?
C35A Ru1A Ru2A C39A . . . . -42.87(14) ?
As1A Ru1A Ru2A C39A . . . . -141.84(14) ?
Ru3A Ru1A Ru2A C39A . . . . 31.40(14) ?
C36A Ru1A Ru2A C40A . . . . 134.0(2) ?
C37A Ru1A Ru2A C40A . . . . -168.41(6) ?
C35A Ru1A Ru2A C40A . . . . 23.98(6) ?
As1A Ru1A Ru2A C40A . . . . -74.99(4) ?
Ru3A Ru1A Ru2A C40A . . . . 98.25(4) ?
C36A Ru1A Ru2A C38A . . . . -45.2(2) ?
C37A Ru1A Ru2A C38A . . . . 12.38(6) ?
C35A Ru1A Ru2A C38A . . . . -155.23(6) ?
As1A Ru1A Ru2A C38A . . . . 105.80(4) ?
Ru3A Ru1A Ru2A C38A . . . . -80.96(4) ?
C36A Ru1A Ru2A As2A . . . . -142.0(2) ?
C37A Ru1A Ru2A As2A . . . . -84.37(4) ?
C35A Ru1A Ru2A As2A . . . . 108.01(4) ?
As1A Ru1A Ru2A As2A . . . . 9.043(7) ?
Ru3A Ru1A Ru2A As2A . . . . -177.713(6) ?
C36A Ru1A Ru2A Ru3A . . . . 35.8(2) ?
C37A Ru1A Ru2A Ru3A . . . . 93.34(4) ?
C35A Ru1A Ru2A Ru3A . . . . -74.27(4) ?
As1A Ru1A Ru2A Ru3A . . . . -173.243(6) ?
C39A Ru2A Ru3A C42A . . . . 17.12(7) ?
C40A Ru2A Ru3A C42A . . . . 109.72(7) ?
C38A Ru2A Ru3A C42A . . . . -75.28(7) ?
As2A Ru2A Ru3A C42A . . . . -167.34(5) ?
Ru1A Ru2A Ru3A C42A . . . . -173.44(5) ?
C39A Ru2A Ru3A C43A . . . . 109.02(7) ?
C40A Ru2A Ru3A C43A . . . . -158.38(6) ?
C38A Ru2A Ru3A C43A . . . . 16.62(6) ?
As2A Ru2A Ru3A C43A . . . . -75.44(5) ?
Ru1A Ru2A Ru3A C43A . . . . -81.54(5) ?
C39A Ru2A Ru3A C41A . . . . -72.97(7) ?
C40A Ru2A Ru3A C41A . . . . 19.63(6) ?
C38A Ru2A Ru3A C41A . . . . -165.37(6) ?
As2A Ru2A Ru3A C41A . . . . 102.57(5) ?
Ru1A Ru2A Ru3A C41A . . . . 96.47(4) ?
C39A Ru2A Ru3A P1A . . . . -122.82(7) ?
C40A Ru2A Ru3A P1A . . . . -30.21(7) ?
C38A Ru2A Ru3A P1A . . . . 144.78(6) ?
As2A Ru2A Ru3A P1A . . . . 52.72(6) ?
Ru1A Ru2A Ru3A P1A . . . . 46.62(5) ?
C39A Ru2A Ru3A Ru1A . . . . -169.44(5) ?
C40A Ru2A Ru3A Ru1A . . . . -76.83(4) ?
C38A Ru2A Ru3A Ru1A . . . . 98.16(4) ?
As2A Ru2A Ru3A Ru1A . . . . 6.104(16) ?
C36A Ru1A Ru3A C42A . . . . -160.05(11) ?
C37A Ru1A Ru3A C42A . . . . -69.60(11) ?
C35A Ru1A Ru3A C42A . . . . 116.76(11) ?
As1A Ru1A Ru3A C42A . . . . 25.88(10) ?
Ru2A Ru1A Ru3A C42A . . . . 12.94(10) ?
C36A Ru1A Ru3A C43A . . . . -72.77(7) ?
C37A Ru1A Ru3A C43A . . . . 17.68(6) ?
C35A Ru1A Ru3A C43A . . . . -155.96(6) ?
As1A Ru1A Ru3A C43A . . . . 113.15(5) ?
Ru2A Ru1A Ru3A C43A . . . . 100.22(4) ?
C36A Ru1A Ru3A C41A . . . . 104.41(7) ?
C37A Ru1A Ru3A C41A . . . . -165.14(6) ?
C35A Ru1A Ru3A C41A . . . . 21.22(6) ?
As1A Ru1A Ru3A C41A . . . . -69.67(5) ?
Ru2A Ru1A Ru3A C41A . . . . -82.60(5) ?
C36A Ru1A Ru3A P1A . . . . 16.43(5) ?
C37A Ru1A Ru3A P1A . . . . 106.88(4) ?
C35A Ru1A Ru3A P1A . . . . -66.76(4) ?
As1A Ru1A Ru3A P1A . . . . -157.642(14) ?
Ru2A Ru1A Ru3A P1A . . . . -170.574(12) ?
C36A Ru1A Ru3A Ru2A . . . . -172.99(5) ?
C37A Ru1A Ru3A Ru2A . . . . -82.55(4) ?
C35A Ru1A Ru3A Ru2A . . . . 103.81(4) ?
As1A Ru1A Ru3A Ru2A . . . . 12.933(11) ?
C36A Ru1A As1A C7A . . . . 64.92(7) ?
C37A Ru1A As1A C7A . . . . -26.33(6) ?
C35A Ru1A As1A C7A . . . . 153.85(6) ?
Ru2A Ru1A As1A C7A . . . . -109.66(5) ?
Ru3A Ru1A As1A C7A . . . . -120.61(5) ?
C36A Ru1A As1A C1A . . . . -50.90(7) ?
C37A Ru1A As1A C1A . . . . -142.14(6) ?
C35A Ru1A As1A C1A . . . . 38.04(6) ?
Ru2A Ru1A As1A C1A . . . . 134.53(5) ?
Ru3A Ru1A As1A C1A . . . . 123.57(5) ?
C36A Ru1A As1A C13A . . . . -172.07(7) ?
C37A Ru1A As1A C13A . . . . 96.68(6) ?
C35A Ru1A As1A C13A . . . . -83.14(6) ?
Ru2A Ru1A As1A C13A . . . . 13.35(5) ?
Ru3A Ru1A As1A C13A . . . . 2.39(5) ?
C39A Ru2A As2A C14A . . . . 25.81(7) ?
C40A Ru2A As2A C14A . . . . -65.50(6) ?
C38A Ru2A As2A C14A . . . . 120.54(6) ?
Ru3A Ru2A As2A C14A . . . . -149.73(5) ?
Ru1A Ru2A As2A C14A . . . . -144.33(5) ?
C39A Ru2A As2A C20A . . . . -99.44(7) ?
C40A Ru2A As2A C20A . . . . 169.26(6) ?
C38A Ru2A As2A C20A . . . . -4.70(6) ?
Ru3A Ru2A As2A C20A . . . . 85.03(5) ?
Ru1A Ru2A As2A C20A . . . . 90.43(5) ?
C39A Ru2A As2A C13A . . . . 139.85(7) ?
C40A Ru2A As2A C13A . . . . 48.54(6) ?
C38A Ru2A As2A C13A . . . . -125.42(6) ?
Ru3A Ru2A As2A C13A . . . . -35.69(5) ?
Ru1A Ru2A As2A C13A . . . . -30.29(5) ?
C42A Ru3A P1A O11A . . . . -116.15(7) ?
C43A Ru3A P1A O11A . . . . 151.78(6) ?
C41A Ru3A P1A O11A . . . . -26.61(6) ?
Ru2A Ru3A P1A O11A . . . . 23.09(8) ?
Ru1A Ru3A P1A O11A . . . . 65.67(5) ?
C42A Ru3A P1A O10A . . . . -2.23(7) ?
C43A Ru3A P1A O10A . . . . -94.30(7) ?
C41A Ru3A P1A O10A . . . . 87.30(7) ?
Ru2A Ru3A P1A O10A . . . . 137.01(6) ?
Ru1A Ru3A P1A O10A . . . . 179.58(5) ?
C42A Ru3A P1A O12A . . . . 117.14(7) ?
C43A Ru3A P1A O12A . . . . 25.07(7) ?
C41A Ru3A P1A O12A . . . . -153.32(7) ?
Ru2A Ru3A P1A O12A . . . . -103.62(7) ?
Ru1A Ru3A P1A O12A . . . . -61.04(5) ?
O11A P1A O10A C26A . . . . 179.62(11) ?
O12A P1A O10A C26A . . . . -70.77(12) ?
Ru3A P1A O10A C26A . . . . 60.09(12) ?
O10A P1A O11A C29A . . . . 33.16(13) ?
O12A P1A O11A C29A . . . . -68.72(12) ?
Ru3A P1A O11A C29A . . . . 157.56(10) ?
O11A P1A O12A C32A . . . . -79.79(12) ?
O10A P1A O12A C32A . . . . 176.79(12) ?
Ru3A P1A O12A C32A . . . . 48.22(13) ?
C7A As1A C1A C6A . . . . 83.82(13) ?
C13A As1A C1A C6A . . . . -20.86(14) ?
Ru1A As1A C1A C6A . . . . -149.85(11) ?
C7A As1A C1A C2A . . . . -89.09(12) ?
C13A As1A C1A C2A . . . . 166.23(12) ?
Ru1A As1A C1A C2A . . . . 37.25(13) ?
C6A C1A C2A C3A . . . . -0.7(2) ?
As1A C1A C2A C3A . . . . 172.34(13) ?
C1A C2A C3A C4A . . . . 0.9(3) ?
C2A C3A C4A C5A . . . . 0.2(3) ?
C3A C4A C5A C6A . . . . -1.4(3) ?
C2A C1A C6A C5A . . . . -0.5(2) ?
As1A C1A C6A C5A . . . . -173.35(13) ?
C4A C5A C6A C1A . . . . 1.6(3) ?
C1A As1A C7A C8A . . . . -75.93(13) ?
C13A As1A C7A C8A . . . . 25.92(14) ?
Ru1A As1A C7A C8A . . . . 155.49(11) ?
C1A As1A C7A C12A . . . . 98.57(12) ?
C13A As1A C7A C12A . . . . -159.59(11) ?
Ru1A As1A C7A C12A . . . . -30.01(13) ?
C12A C7A C8A C9A . . . . 0.3(2) ?
As1A C7A C8A C9A . . . . 174.73(12) ?
C7A C8A C9A C10A . . . . -0.1(3) ?
C8A C9A C10A C11A . . . . -0.2(3) ?
C9A C10A C11A C12A . . . . 0.3(2) ?
C10A C11A C12A C7A . . . . -0.1(2) ?
C8A C7A C12A C11A . . . . -0.2(2) ?
As1A C7A C12A C11A . . . . -174.87(12) ?
C14A As2A C13A As1A . . . . 165.10(7) ?
C20A As2A C13A As1A . . . . -88.44(8) ?
Ru2A As2A C13A As1A . . . . 43.52(7) ?
C7A As1A C13A As2A . . . . 93.09(7) ?
C1A As1A C13A As2A . . . . -168.20(7) ?
Ru1A As1A C13A As2A . . . . -36.83(8) ?
C20A As2A C14A C19A . . . . -108.23(13) ?
C13A As2A C14A C19A . . . . -2.02(13) ?
Ru2A As2A C14A C19A . . . . 116.80(11) ?
C20A As2A C14A C15A . . . . 75.49(12) ?
C13A As2A C14A C15A . . . . -178.31(12) ?
Ru2A As2A C14A C15A . . . . -59.49(12) ?
C19A C14A C15A C16A . . . . 1.1(2) ?
As2A C14A C15A C16A . . . . 177.56(13) ?
C14A C15A C16A C17A . . . . -0.7(3) ?
C15A C16A C17A C18A . . . . -0.3(3) ?
C16A C17A C18A C19A . . . . 0.8(2) ?
C15A C14A C19A C18A . . . . -0.6(2) ?
As2A C14A C19A C18A . . . . -176.79(11) ?
C17A C18A C19A C14A . . . . -0.4(2) ?
C14A As2A C20A C21A . . . . -174.38(11) ?
C13A As2A C20A C21A . . . . 79.94(12) ?
Ru2A As2A C20A C21A . . . . -44.27(13) ?
C14A As2A C20A C25A . . . . 5.91(13) ?
C13A As2A C20A C25A . . . . -99.77(12) ?
Ru2A As2A C20A C25A . . . . 136.02(10) ?
C25A C20A C21A C22A . . . . 1.2(2) ?
As2A C20A C21A C22A . . . . -178.53(12) ?
C20A C21A C22A C23A . . . . -1.3(2) ?
C21A C22A C23A C24A . . . . 0.3(3) ?
C22A C23A C24A C25A . . . . 0.8(3) ?
C21A C20A C25A C24A . . . . -0.1(2) ?
As2A C20A C25A C24A . . . . 179.66(12) ?
C23A C24A C25A C20A . . . . -1.0(2) ?
P1A O10A C26A C28A . . . . -147.83(13) ?
P1A O10A C26A C27A . . . . 89.19(18) ?
P1A O11A C29A C31A . . . . 143.59(14) ?
P1A O11A C29A C30A . . . . -95.51(17) ?
P1A O12A C32A C33A . . . . 90.92(14) ?
P1A O12A C32A C34A . . . . -146.38(12) ?
C36A Ru1A C35A O1A . . . . 7.7(9) ?
C37A Ru1A C35A O1A . . . . 89.9(10) ?
As1A Ru1A C35A O1A . . . . -90.9(9) ?
Ru2A Ru1A C35A O1A . . . . 18E1(10) ?
Ru3A Ru1A C35A O1A . . . . 121.2(9) ?
C37A Ru1A C36A O2A . . . . 70(4) ?
C35A Ru1A C36A O2A . . . . -122(4) ?
As1A Ru1A C36A O2A . . . . -24(4) ?
Ru2A Ru1A C36A O2A . . . . 127(4) ?
Ru3A Ru1A C36A O2A . . . . 160(4) ?
C36A Ru1A C37A O3A . . . . -21.1(11) ?
C35A Ru1A C37A O3A . . . . -103.0(11) ?
As1A Ru1A C37A O3A . . . . 77.8(11) ?
Ru2A Ru1A C37A O3A . . . . 168.2(11) ?
Ru3A Ru1A C37A O3A . . . . -133.8(11) ?
C39A Ru2A C38A O4A . . . . 42.3(16) ?
C40A Ru2A C38A O4A . . . . -163.5(14) ?
As2A Ru2A C38A O4A . . . . -59.1(16) ?
Ru3A Ru2A C38A O4A . . . . 142.9(16) ?
Ru1A Ru2A C38A O4A . . . . -156.3(16) ?
C40A Ru2A C39A O5A . . . . -6(2) ?
C38A Ru2A C39A O5A . . . . 172(2) ?
As2A Ru2A C39A O5A . . . . -91(2) ?
Ru3A Ru2A C39A O5A . . . . 87(2) ?
Ru1A Ru2A C39A O5A . . . . 59(2) ?
C39A Ru2A C40A O6A . . . . -62.4(11) ?
C38A Ru2A C40A O6A . . . . 143.4(9) ?
As2A Ru2A C40A O6A . . . . 38.4(11) ?
Ru3A Ru2A C40A O6A . . . . -163.4(11) ?
Ru1A Ru2A C40A O6A . . . . 136.1(11) ?
C42A Ru3A C41A O7A . . . . 46.8(12) ?
C43A Ru3A C41A O7A . . . . -86.7(18) ?
P1A Ru3A C41A O7A . . . . -52.9(12) ?
Ru2A Ru3A C41A O7A . . . . 136.4(12) ?
Ru1A Ru3A C41A O7A . . . . -163.7(12) ?
C43A Ru3A C42A O8A . . . . -106(6) ?
C41A Ru3A C42A O8A . . . . 76(6) ?
P1A Ru3A C42A O8A . . . . 163(6) ?
Ru2A Ru3A C42A O8A . . . . -9(6) ?
Ru1A Ru3A C42A O8A . . . . -21(6) ?
C42A Ru3A C43A O9A . . . . -57.8(12) ?
C41A Ru3A C43A O9A . . . . 75.7(19) ?
P1A Ru3A C43A O9A . . . . 42.0(12) ?
Ru2A Ru3A C43A O9A . . . . -147.6(12) ?
Ru1A Ru3A C43A O9A . . . . 152.9(12) ?
C36B Ru1B Ru2B C39B . . . . -69.33(19) ?
C35B Ru1B Ru2B C39B . . . . -138.77(13) ?
C37B Ru1B Ru2B C39B . . . . 39.26(13) ?
As1B Ru1B Ru2B C39B . . . . 130.64(12) ?
Ru3B Ru1B Ru2B C39B . . . . -41.20(12) ?
C36B Ru1B Ru2B C38B . . . . -132.67(15) ?
C35B Ru1B Ru2B C38B . . . . 157.89(6) ?
C37B Ru1B Ru2B C38B . . . . -24.08(6) ?
As1B Ru1B Ru2B C38B . . . . 67.31(5) ?
Ru3B Ru1B Ru2B C38B . . . . -104.54(5) ?
C36B Ru1B Ru2B C40B . . . . 44.09(15) ?
C35B Ru1B Ru2B C40B . . . . -25.35(6) ?
C37B Ru1B Ru2B C40B . . . . 152.67(6) ?
As1B Ru1B Ru2B C40B . . . . -115.94(4) ?
Ru3B Ru1B Ru2B C40B . . . . 72.22(4) ?
C36B Ru1B Ru2B As2B . . . . 138.51(15) ?
C35B Ru1B Ru2B As2B . . . . 69.07(4) ?
C37B Ru1B Ru2B As2B . . . . -112.91(4) ?
As1B Ru1B Ru2B As2B . . . . -21.517(6) ?
Ru3B Ru1B Ru2B As2B . . . . 166.638(6) ?
C36B Ru1B Ru2B Ru3B . . . . -28.13(15) ?
C35B Ru1B Ru2B Ru3B . . . . -97.57(4) ?
C37B Ru1B Ru2B Ru3B . . . . 80.46(4) ?
As1B Ru1B Ru2B Ru3B . . . . 171.845(6) ?
C39B Ru2B Ru3B C42B . . . . -23.60(7) ?
C38B Ru2B Ru3B C42B . . . . -116.45(6) ?
C40B Ru2B Ru3B C42B . . . . 64.79(6) ?
As2B Ru2B Ru3B C42B . . . . 143.93(5) ?
Ru1B Ru2B Ru3B C42B . . . . 170.65(5) ?
C39B Ru2B Ru3B C41B . . . . -116.55(7) ?
C38B Ru2B Ru3B C41B . . . . 150.60(7) ?
C40B Ru2B Ru3B C41B . . . . -28.17(7) ?
As2B Ru2B Ru3B C41B . . . . 50.97(5) ?
Ru1B Ru2B Ru3B C41B . . . . 77.69(5) ?
C39B Ru2B Ru3B C43B . . . . 70.57(6) ?
C38B Ru2B Ru3B C43B . . . . -22.28(6) ?
C40B Ru2B Ru3B C43B . . . . 158.96(6) ?
As2B Ru2B Ru3B C43B . . . . -121.90(5) ?
Ru1B Ru2B Ru3B C43B . . . . -95.18(4) ?
C39B Ru2B Ru3B P1B . . . . 127.65(5) ?
C38B Ru2B Ru3B P1B . . . . 34.80(5) ?
C40B Ru2B Ru3B P1B . . . . -143.96(5) ?
As2B Ru2B Ru3B P1B . . . . -64.83(3) ?
Ru1B Ru2B Ru3B P1B . . . . -38.11(3) ?
C39B Ru2B Ru3B Ru1B . . . . 165.76(5) ?
C38B Ru2B Ru3B Ru1B . . . . 72.91(4) ?
C40B Ru2B Ru3B Ru1B . . . . -105.85(4) ?
As2B Ru2B Ru3B Ru1B . . . . -26.720(11) ?
C36B Ru1B Ru3B C42B . . . . 149.67(12) ?
C35B Ru1B Ru3B C42B . . . . 54.35(12) ?
C37B Ru1B Ru3B C42B . . . . -123.23(12) ?
As1B Ru1B Ru3B C42B . . . . -39.62(11) ?
Ru2B Ru1B Ru3B C42B . . . . -21.88(11) ?
C36B Ru1B Ru3B C41B . . . . 69.08(6) ?
C35B Ru1B Ru3B C41B . . . . -26.24(6) ?
C37B Ru1B Ru3B C41B . . . . 156.18(6) ?
As1B Ru1B Ru3B C41B . . . . -120.21(5) ?
Ru2B Ru1B Ru3B C41B . . . . -102.47(4) ?
C36B Ru1B Ru3B C43B . . . . -110.00(6) ?
C35B Ru1B Ru3B C43B . . . . 154.68(6) ?
C37B Ru1B Ru3B C43B . . . . -22.91(6) ?
As1B Ru1B Ru3B C43B . . . . 60.71(5) ?
Ru2B Ru1B Ru3B C43B . . . . 78.45(4) ?
C36B Ru1B Ru3B P1B . . . . -22.22(5) ?
C35B Ru1B Ru3B P1B . . . . -117.54(4) ?
C37B Ru1B Ru3B P1B . . . . 64.88(4) ?
As1B Ru1B Ru3B P1B . . . . 148.491(15) ?
Ru2B Ru1B Ru3B P1B . . . . 166.232(10) ?
C36B Ru1B Ru3B Ru2B . . . . 171.55(4) ?
C35B Ru1B Ru3B Ru2B . . . . 76.23(4) ?
C37B Ru1B Ru3B Ru2B . . . . -101.35(4) ?
As1B Ru1B Ru3B Ru2B . . . . -17.741(12) ?
C36B Ru1B As1B C7B . . . . 72.03(6) ?
C35B Ru1B As1B C7B . . . . 167.47(6) ?
C37B Ru1B As1B C7B . . . . -16.41(6) ?
Ru3B Ru1B As1B C7B . . . . -98.78(5) ?
Ru2B Ru1B As1B C7B . . . . -114.00(5) ?
C36B Ru1B As1B C1B . . . . -51.31(7) ?
C35B Ru1B As1B C1B . . . . 44.12(6) ?
C37B Ru1B As1B C1B . . . . -139.76(6) ?
Ru3B Ru1B As1B C1B . . . . 137.87(5) ?
Ru2B Ru1B As1B C1B . . . . 122.65(5) ?
C36B Ru1B As1B C13B . . . . -170.23(7) ?
C35B Ru1B As1B C13B . . . . -74.79(6) ?
C37B Ru1B As1B C13B . . . . 101.32(6) ?
Ru3B Ru1B As1B C13B . . . . 18.95(5) ?
Ru2B Ru1B As1B C13B . . . . 3.74(5) ?
C39B Ru2B As2B C14B . . . . 106.20(7) ?
C38B Ru2B As2B C14B . . . . -162.75(7) ?
C40B Ru2B As2B C14B . . . . 13.86(7) ?
Ru3B Ru2B As2B C14B . . . . -61.11(6) ?
Ru1B Ru2B As2B C14B . . . . -84.02(5) ?
C39B Ru2B As2B C20B . . . . -15.31(7) ?
C38B Ru2B As2B C20B . . . . 75.74(6) ?
C40B Ru2B As2B C20B . . . . -107.64(6) ?
Ru3B Ru2B As2B C20B . . . . 177.38(5) ?
Ru1B Ru2B As2B C20B . . . . 154.48(5) ?
C39B Ru2B As2B C13B . . . . -131.51(6) ?
C38B Ru2B As2B C13B . . . . -40.46(6) ?
C40B Ru2B As2B C13B . . . . 136.16(6) ?
Ru3B Ru2B As2B C13B . . . . 61.18(5) ?
Ru1B Ru2B As2B C13B . . . . 38.28(5) ?
C42B Ru3B P1B O12B . . . . 127.58(7) ?
C41B Ru3B P1B O12B . . . . -139.36(7) ?
C43B Ru3B P1B O12B . . . . 32.98(7) ?
Ru2B Ru3B P1B O12B . . . . -22.73(6) ?
Ru1B Ru3B P1B O12B . . . . -56.05(5) ?
C42B Ru3B P1B O11B . . . . -116.72(7) ?
C41B Ru3B P1B O11B . . . . -23.67(7) ?
C43B Ru3B P1B O11B . . . . 148.68(7) ?
Ru2B Ru3B P1B O11B . . . . 92.97(6) ?
Ru1B Ru3B P1B O11B . . . . 59.65(5) ?
C42B Ru3B P1B O10B . . . . 5.80(8) ?
C41B Ru3B P1B O10B . . . . 98.85(7) ?
C43B Ru3B P1B O10B . . . . -88.80(7) ?
Ru2B Ru3B P1B O10B . . . . -144.51(6) ?
Ru1B Ru3B P1B O10B . . . . -177.83(6) ?
O12B P1B O10B C26B . . . . -89.98(14) ?
O11B P1B O10B C26B . . . . 166.78(13) ?
Ru3B P1B O10B C26B . . . . 33.39(15) ?
O12B P1B O11B C29B . . . . -166.45(12) ?
O10B P1B O11B C29B . . . . -58.39(13) ?
Ru3B P1B O11B C29B . . . . 73.39(13) ?
O11B P1B O12B C32B . . . . 50.58(13) ?
O10B P1B O12B C32B . . . . -51.39(13) ?
Ru3B P1B O12B C32B . . . . 179.28(11) ?
C7B As1B C1B C6B . . . . -132.60(12) ?
C13B As1B C1B C6B . . . . 122.97(12) ?
Ru1B As1B C1B C6B . . . . -3.14(13) ?
C7B As1B C1B C2B . . . . 52.11(13) ?
C13B As1B C1B C2B . . . . -52.32(13) ?
Ru1B As1B C1B C2B . . . . -178.43(10) ?
C6B C1B C2B C3B . . . . -1.5(2) ?
As1B C1B C2B C3B . . . . 173.85(12) ?
C1B C2B C3B C4B . . . . 0.0(2) ?
C2B C3B C4B C5B . . . . 1.5(2) ?
C3B C4B C5B C6B . . . . -1.4(2) ?
C2B C1B C6B C5B . . . . 1.6(2) ?
As1B C1B C6B C5B . . . . -173.71(11) ?
C4B C5B C6B C1B . . . . -0.1(2) ?
C1B As1B C7B C8B . . . . -145.53(14) ?
C13B As1B C7B C8B . . . . -42.27(15) ?
Ru1B As1B C7B C8B . . . . 82.55(14) ?
C1B As1B C7B C12B . . . . 42.33(13) ?
C13B As1B C7B C12B . . . . 145.60(12) ?
Ru1B As1B C7B C12B . . . . -89.59(12) ?
C12B C7B C8B C9B . . . . -1.0(3) ?
As1B C7B C8B C9B . . . . -173.15(15) ?
C7B C8B C9B C10B . . . . 0.3(3) ?
C8B C9B C10B C11B . . . . 0.6(3) ?
C9B C10B C11B C12B . . . . -0.9(3) ?
C10B C11B C12B C7B . . . . 0.1(2) ?
C8B C7B C12B C11B . . . . 0.8(2) ?
As1B C7B C12B C11B . . . . 173.03(12) ?
C14B As2B C13B As1B . . . . 88.38(8) ?
C20B As2B C13B As1B . . . . -168.92(7) ?
Ru2B As2B C13B As1B . . . . -42.52(8) ?
C7B As1B C13B As2B . . . . 147.51(7) ?
C1B As1B C13B As2B . . . . -107.27(8) ?
Ru1B As1B C13B As2B . . . . 22.10(9) ?
C20B As2B C14B C19B . . . . -107.22(13) ?
C13B As2B C14B C19B . . . . -3.33(14) ?
Ru2B As2B C14B C19B . . . . 122.33(12) ?
C20B As2B C14B C15B . . . . 68.55(12) ?
C13B As2B C14B C15B . . . . 172.44(11) ?
Ru2B As2B C14B C15B . . . . -61.90(12) ?
C19B C14B C15B C16B . . . . 1.5(2) ?
As2B C14B C15B C16B . . . . -174.46(13) ?
C14B C15B C16B C17B . . . . -1.0(3) ?
C15B C16B C17B C18B . . . . -0.5(3) ?
C16B C17B C18B C19B . . . . 1.5(3) ?
C15B C14B C19B C18B . . . . -0.5(2) ?
As2B C14B C19B C18B . . . . 175.18(13) ?
C17B C18B C19B C14B . . . . -1.0(3) ?
C14B As2B C20B C21B . . . . 18.73(14) ?
C13B As2B C20B C21B . . . . -88.01(14) ?
Ru2B As2B C20B C21B . . . . 150.28(12) ?
C14B As2B C20B C25B . . . . -159.07(12) ?
C13B As2B C20B C25B . . . . 94.18(13) ?
Ru2B As2B C20B C25B . . . . -27.52(14) ?
C25B C20B C21B C22B . . . . 0.5(3) ?
As2B C20B C21B C22B . . . . -177.27(14) ?
C20B C21B C22B C23B . . . . -0.3(3) ?
C21B C22B C23B C24B . . . . -0.4(3) ?
C22B C23B C24B C25B . . . . 0.9(3) ?
C23B C24B C25B C20B . . . . -0.7(3) ?
C21B C20B C25B C24B . . . . 0.0(2) ?
As2B C20B C25B C24B . . . . 177.84(13) ?
P1B O10B C26B C27B . . . . 116.73(17) ?
P1B O10B C26B C28B . . . . -121.64(15) ?
P1B O11B C29B C31B . . . . 101.12(17) ?
P1B O11B C29B C30B . . . . -137.85(13) ?
P1B O12B C32B C33B . . . . -98.61(15) ?
P1B O12B C32B C34B . . . . 139.65(13) ?
C36B Ru1B C35B O1B . . . . 48.2(12) ?
C37B Ru1B C35B O1B . . . . -174.1(10) ?
As1B Ru1B C35B O1B . . . . -54.2(12) ?
Ru3B Ru1B C35B O1B . . . . 153.4(12) ?
Ru2B Ru1B C35B O1B . . . . -148.2(12) ?
C35B Ru1B C36B O2B . . . . -100(15) ?
C37B Ru1B C36B O2B . . . . 83(15) ?
As1B Ru1B C36B O2B . . . . -8(15) ?
Ru3B Ru1B C36B O2B . . . . 17E1(10) ?
Ru2B Ru1B C36B O2B . . . . -17E1(10) ?
C36B Ru1B C37B O3B . . . . -42.7(12) ?
C35B Ru1B C37B O3B . . . . 18E1(10) ?
As1B Ru1B C37B O3B . . . . 59.5(12) ?
Ru3B Ru1B C37B O3B . . . . -148.0(12) ?
Ru2B Ru1B C37B O3B . . . . 153.9(12) ?
C39B Ru2B C38B O4B . . . . 49.3(12) ?
C40B Ru2B C38B O4B . . . . 167.8(9) ?
As2B Ru2B C38B O4B . . . . -57.5(12) ?
Ru3B Ru2B C38B O4B . . . . 152.9(11) ?
Ru1B Ru2B C38B O4B . . . . -149.6(12) ?
C38B Ru2B C39B O5B . . . . 34(3) ?
C40B Ru2B C39B O5B . . . . -142(3) ?
As2B Ru2B C39B O5B . . . . 124(3) ?
Ru3B Ru2B C39B O5B . . . . -63(3) ?
Ru1B Ru2B C39B O5B . . . . -27(3) ?
C39B Ru2B C40B O6B . . . . -35.6(12) ?
C38B Ru2B C40B O6B . . . . -154.0(10) ?
As2B Ru2B C40B O6B . . . . 71.4(12) ?
Ru3B Ru2B C40B O6B . . . . -139.0(12) ?
Ru1B Ru2B C40B O6B . . . . 163.9(12) ?
C42B Ru3B C41B O7B . . . . 44.8(16) ?
C43B Ru3B C41B O7B . . . . -153.8(14) ?
P1B Ru3B C41B O7B . . . . -59.9(16) ?
Ru2B Ru3B C41B O7B . . . . 140.0(16) ?
Ru1B Ru3B C41B O7B . . . . -160.7(16) ?
C41B Ru3B C42B O8B . . . . 59(2) ?
C43B Ru3B C42B O8B . . . . -119(2) ?
P1B Ru3B C42B O8B . . . . 152(2) ?
Ru2B Ru3B C42B O8B . . . . -39(2) ?
Ru1B Ru3B C42B O8B . . . . -20(2) ?
C42B Ru3B C43B O9B . . . . -66.2(15) ?
C41B Ru3B C43B O9B . . . . 132.3(13) ?
P1B Ru3B C43B O9B . . . . 38.2(15) ?
Ru2B Ru3B C43B O9B . . . . -160.3(15) ?
Ru1B Ru3B C43B O9B . . . . 139.2(15) ?
