#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/51/2225123.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_2225123
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
;[μ-Bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-1κ³C,2κ³C,3κ³C-(triphenyl
 phosphite-3κP)-triangulo-triruthenium(0)
;
_journal_coeditor_code           TK2607
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m223
_journal_page_last               m224
_journal_paper_doi               10.1107/S1600536810001200
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ru3 (C25 H22 As2) (C18 H15 O3 P) (C O)9]'
_chemical_formula_moiety         'C52 H37 As2 O12 P Ru3'
_chemical_formula_sum            'C52 H37 As2 O12 P Ru3'
_chemical_formula_weight         1337.84
_chemical_name_systematic
;
[μ-Bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-
1κ³C,2κ³C,3κ³C-(triphenyl
phosphite-3κP)-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
_cell_angle_beta                 90.1250(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.6537(3)
_cell_length_b                   21.3662(4)
_cell_length_c                   30.1698(6)
_cell_measurement_reflns_used    9830
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.23
_cell_measurement_theta_min      2.41
_cell_volume                     10090.6(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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.080
_diffrn_reflns_av_sigmaI/netI    0.066
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            235438
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         1.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5264
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.75
_refine_diff_density_min         -2.02
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1275
_refine_ls_number_reflns         29385
_refine_ls_number_restraints     174
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.098
_refine_ls_R_factor_gt           0.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0243P)²+105.7247P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.114
_refine_ls_wR_factor_ref         0.132
_reflns_number_gt                22171
_reflns_number_total             29385
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2607.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               2225123
_cod_database_fobs_code          2225123
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 0.28173(4) 0.76421(3) 0.64426(2) 0.01788(13) Uani d . 1 . .
Ru Ru2A 0.26063(4) 0.89647(3) 0.63474(2) 0.01799(13) Uani d . 1 . .
Ru Ru3A 0.35416(4) 0.82713(3) 0.57030(2) 0.01912(13) Uani d . 1 . .
As As1A 0.20409(5) 0.76330(3) 0.71392(3) 0.01517(16) Uani d . 1 . .
As As2A 0.15232(6) 0.90735(3) 0.69237(3) 0.01558(16) Uani d . 1 . .
P P1A 0.43840(15) 0.74851(10) 0.54556(8) 0.0236(5) Uani d . 1 . .
O O1A 0.4568(4) 0.7873(3) 0.6862(3) 0.0389(18) Uani d . 1 . .
O O2A 0.3396(5) 0.6296(3) 0.6344(3) 0.0470(13) Uani d . 1 . .
O O3A 0.1042(5) 0.7454(4) 0.6046(3) 0.045(2) Uani d . 1 . .
O O4A 0.1215(4) 0.8772(4) 0.5657(3) 0.046(2) Uani d . 1 . .
O O5A 0.2849(5) 1.0281(3) 0.5992(3) 0.054(2) Uani d . 1 . .
O O6A 0.4037(5) 0.9200(4) 0.7014(3) 0.0425(19) Uani d . 1 . .
O O7A 0.5087(5) 0.8852(4) 0.6168(3) 0.0369(17) Uani d . 1 . .
O O8A 0.3598(5) 0.9325(3) 0.5021(2) 0.0327(16) Uani d . 1 . .
O O9A 0.2098(4) 0.7605(3) 0.5196(2) 0.0336(15) Uani d . 1 . .
O O10A 0.5103(4) 0.7324(3) 0.5814(2) 0.0398(16) Uani d . 1 . .
O O11A 0.4931(4) 0.7551(3) 0.5012(2) 0.0294(10) Uani d . 1 . .
O O12A 0.4009(5) 0.6802(3) 0.5398(2) 0.0373(16) Uani d . 1 . .
C C1A 0.1324(5) 0.6910(3) 0.7279(3) 0.0186(17) Uani d . 1 . .
C C2A 0.0884(6) 0.6898(4) 0.7683(3) 0.0215(18) Uani d . 1 . .
H H2AA 0.0953 0.7224 0.7884 0.026 Uiso calc R 1 . .
C C3A 0.0346(6) 0.6401(4) 0.7786(3) 0.0237(19) Uani d . 1 . .
H H3AA 0.0046 0.6400 0.8052 0.028 Uiso calc R 1 . .
C C4A 0.0258(6) 0.5904(4) 0.7490(3) 0.028(2) Uani d . 1 . .
H H4AA -0.0089 0.5565 0.7560 0.033 Uiso calc R 1 . .
C C5A 0.0693(6) 0.5918(4) 0.7088(3) 0.0244(19) Uani d . 1 . .
H H5AA 0.0622 0.5593 0.6887 0.029 Uiso calc R 1 . .
C C6A 0.1239(6) 0.6419(3) 0.6983(3) 0.0223(18) Uani d . 1 . .
H H6AA 0.1539 0.6420 0.6717 0.027 Uiso calc R 1 . .
C C7A 0.2706(6) 0.7713(3) 0.7674(3) 0.0207(17) Uani d . 1 . .
C C8A 0.2528(6) 0.8145(4) 0.8010(3) 0.0262(19) Uani d . 1 . .
H H8AA 0.2052 0.8403 0.7988 0.031 Uiso calc R 1 . .
C C9A 0.3057(7) 0.8186(4) 0.8371(3) 0.031(2) Uani d . 1 . .
H H9AA 0.2943 0.8478 0.8591 0.038 Uiso calc R 1 . .
C C10A 0.3754(7) 0.7801(5) 0.8411(3) 0.034(2) Uani d . 1 . .
H H10A 0.4107 0.7831 0.8659 0.041 Uiso calc R 1 . .
C C11A 0.3934(7) 0.7359(5) 0.8079(4) 0.035(2) Uani d . 1 . .
H H11A 0.4405 0.7097 0.8106 0.042 Uiso calc R 1 . .
C C12A 0.3411(6) 0.7316(4) 0.7713(3) 0.0266(19) Uani d . 1 . .
H H12A 0.3527 0.7023 0.7493 0.032 Uiso calc R 1 . .
C C13A 0.1143(5) 0.8278(3) 0.7180(3) 0.0164(16) Uani d . 1 . .
H H13A 0.0636 0.8134 0.7025 0.020 Uiso calc R 1 . .
H H13B 0.0994 0.8341 0.7489 0.020 Uiso calc R 1 . .
C C14A 0.1714(5) 0.9620(4) 0.7431(3) 0.0193(17) Uani d . 1 . .
C C15A 0.2239(6) 1.0135(3) 0.7376(3) 0.0211(17) Uani d . 1 . .
H H15A 0.2541 1.0185 0.7114 0.025 Uiso calc R 1 . .
C C16A 0.2318(6) 1.0574(4) 0.7709(3) 0.0267(19) Uani d . 1 . .
H H16A 0.2679 1.0916 0.7672 0.032 Uiso calc R 1 . .
C C17A 0.1858(6) 1.0506(4) 0.8101(4) 0.030(2) Uani d . 1 . .
H H17A 0.1909 1.0804 0.8324 0.036 Uiso calc R 1 . .
C C18A 0.1323(6) 0.9995(4) 0.8159(3) 0.0240(18) Uani d . 1 . .
H H18A 0.1016 0.9949 0.8420 0.029 Uiso calc R 1 . .
C C19A 0.1251(5) 0.9556(4) 0.7824(3) 0.0216(18) Uani d . 1 . .
H H19A 0.0891 0.9214 0.7862 0.026 Uiso calc R 1 . .
C C20A 0.0468(6) 0.9467(4) 0.6727(3) 0.0184(16) Uani d . 1 . .
C C21A 0.0568(5) 0.9991(3) 0.6452(3) 0.0183(15) Uani d . 1 . .
H H21A 0.1107 1.0107 0.6352 0.022 Uiso calc R 1 . .
C C22A -0.0142(6) 1.0331(4) 0.6330(3) 0.0240(18) Uani d . 1 . .
H H22A -0.0079 1.0681 0.6149 0.029 Uiso calc R 1 . .
C C23A -0.0957(6) 1.0160(4) 0.6475(3) 0.027(2) Uani d . 1 . .
H H23A -0.1434 1.0389 0.6389 0.033 Uiso calc R 1 . .
C C24A -0.1044(6) 0.9639(4) 0.6752(3) 0.026(2) Uani d . 1 . .
H H24A -0.1582 0.9522 0.6853 0.032 Uiso calc R 1 . .
C C25A -0.0323(5) 0.9291(4) 0.6878(3) 0.0213(17) Uani d . 1 . .
H H25A -0.0381 0.8944 0.7061 0.026 Uiso calc R 1 . .
C C26A 0.5823(6) 0.6930(4) 0.5772(4) 0.032(2) Uani d . 1 . .
C C27A 0.6492(8) 0.7085(5) 0.6032(4) 0.043(3) Uani d . 1 . .
H H27A 0.6465 0.7435 0.6215 0.052 Uiso calc R 1 . .
C C28A 0.7219(7) 0.6715(5) 0.6025(4) 0.045(3) Uani d . 1 . .
H H28A 0.7686 0.6818 0.6202 0.054 Uiso calc R 1 . .
C C29A 0.7251(6) 0.6196(4) 0.5756(4) 0.039(2) Uani d . 1 . .
H H29A 0.7735 0.5944 0.5757 0.047 Uiso calc R 1 . .
C C30A 0.6594(6) 0.6053(4) 0.5494(3) 0.032(2) Uani d . 1 . .
H H30A 0.6634 0.5706 0.5309 0.038 Uiso calc R 1 . .
C C31A 0.5850(7) 0.6409(5) 0.5491(4) 0.035(2) Uani d . 1 . .
H H31A 0.5389 0.6304 0.5310 0.042 Uiso calc R 1 . .
C C32A 0.5065(6) 0.8110(4) 0.4778(4) 0.029(2) Uani d . 1 . .
C C33A 0.4591(7) 0.8208(5) 0.4406(4) 0.037(2) Uani d . 1 . .
H H33A 0.4180 0.7919 0.4318 0.045 Uiso calc R 1 . .
C C34A 0.4733(7) 0.8752(6) 0.4157(4) 0.051(3) Uani d . 1 . .
H H34A 0.4425 0.8819 0.3898 0.061 Uiso calc R 1 . .
C C35A 0.5316(7) 0.9181(6) 0.4292(5) 0.053(3) Uani d . 1 . .
H H35A 0.5394 0.9547 0.4130 0.063 Uiso calc R 1 . .
C C36A 0.5788(8) 0.9075(6) 0.4666(5) 0.058(4) Uani d . 1 . .
H H36A 0.6200 0.9364 0.4752 0.070 Uiso calc R 1 . .
C C37A 0.5656(7) 0.8529(5) 0.4922(4) 0.038(2) Uani d . 1 . .
H H37A 0.5963 0.8460 0.5182 0.046 Uiso calc R 1 . .
C C38A 0.3726(6) 0.6460(4) 0.5032(4) 0.026(2) Uani d . 1 . .
C C39A 0.4202(6) 0.6384(4) 0.4643(3) 0.026(2) Uani d . 1 . .
H H39A 0.4707 0.6608 0.4607 0.032 Uiso calc R 1 . .
C C40A 0.3936(7) 0.5991(4) 0.4321(3) 0.039(2) Uani d . 1 . .
H H40A 0.4270 0.5924 0.4071 0.046 Uiso calc R 1 . .
C C41A 0.3145(7) 0.5687(5) 0.4370(4) 0.045(3) Uani d . 1 . .
H H41A 0.2950 0.5426 0.4145 0.054 Uiso calc R 1 . .
C C42A 0.2655(6) 0.5764(4) 0.4743(4) 0.040(2) Uani d . 1 . .
H H42A 0.2126 0.5570 0.4768 0.048 Uiso calc R 1 . .
C C43A 0.2973(7) 0.6145(4) 0.5089(4) 0.042(2) Uani d . 1 . .
H H43A 0.2672 0.6182 0.5354 0.051 Uiso calc R 1 . .
C C44A 0.3913(6) 0.7820(4) 0.6693(3) 0.027(2) Uani d . 1 . .
C C45A 0.3155(7) 0.6793(4) 0.6376(3) 0.029(2) Uani d . 1 . .
C C46A 0.1712(6) 0.7545(4) 0.6167(3) 0.029(2) Uani d . 1 . .
C C47A 0.1757(6) 0.8804(4) 0.5915(3) 0.029(2) Uani d . 1 . .
C C48A 0.2756(7) 0.9794(4) 0.6137(4) 0.036(2) Uani d . 1 . .
C C49A 0.3526(7) 0.9068(4) 0.6772(3) 0.029(2) Uani d . 1 . .
C C50A 0.4490(6) 0.8638(4) 0.6023(3) 0.0236(19) Uani d . 1 . .
C C51A 0.3595(6) 0.8920(4) 0.5265(3) 0.0260(19) Uani d . 1 . .
C C52A 0.2589(5) 0.7859(4) 0.5402(3) 0.0235(17) Uani d . 1 . .
Ru Ru1B 0.22582(4) 0.27062(3) 0.64659(2) 0.01799(13) Uani d . 1 . .
Ru Ru2B 0.24102(4) 0.40383(3) 0.64090(2) 0.01776(13) Uani d . 1 . .
Ru Ru3B 0.15314(4) 0.33614(3) 0.57451(2) 0.01808(13) Uani d . 1 . .
As As1B 0.29672(5) 0.26613(3) 0.71723(3) 0.01568(16) Uani d . 1 . .
As As2B 0.34802(6) 0.41124(3) 0.69863(3) 0.01577(16) Uani d . 1 . .
P P1B 0.08199(14) 0.25486(9) 0.54490(8) 0.0205(4) Uani d . 1 A .
O O1B 0.4092(4) 0.2680(3) 0.6091(3) 0.0393(18) Uani d . 1 . .
O O2B 0.1823(5) 0.1329(3) 0.6334(3) 0.0470(13) Uani d . 1 . .
O O3B 0.0452(5) 0.2821(3) 0.6864(3) 0.0347(17) Uani d . 1 . .
O O4B 0.0959(5) 0.4135(4) 0.7089(3) 0.0399(18) Uani d . 1 . .
O O5B 0.2015(5) 0.5377(3) 0.6150(3) 0.0427(19) Uani d . 1 . .
O O6B 0.3839(5) 0.4010(4) 0.5702(3) 0.0411(18) Uani d . 1 . .
O O7B 0.3105(4) 0.2841(3) 0.5243(2) 0.0306(14) Uani d . 1 . .
O O8B 0.1389(5) 0.4418(3) 0.5070(2) 0.0333(16) Uani d . 1 . .
O O9B -0.0092(5) 0.3839(4) 0.6217(2) 0.0375(18) Uani d . 1 . .
O O10B 0.0052(4) 0.2665(3) 0.5104(2) 0.0238(13) Uani d . 1 . .
O O11B 0.0345(4) 0.2080(2) 0.5758(2) 0.0294(10) Uani d . 1 . .
O O12B 0.1469(4) 0.2095(3) 0.5183(2) 0.0292(13) Uani d . 1 . .
C C1B 0.3687(6) 0.1935(3) 0.7305(3) 0.0185(17) Uani d . 1 . .
C C2B 0.4093(6) 0.1907(4) 0.7702(3) 0.0232(19) Uani d . 1 . .
H H2BA 0.4001 0.2217 0.7913 0.028 Uiso calc R 1 . .
C C3B 0.4653(6) 0.1410(4) 0.7794(4) 0.030(2) Uani d . 1 . .
H H3BA 0.4929 0.1387 0.8066 0.037 Uiso calc R 1 . .
C C4B 0.4792(6) 0.0956(4) 0.7477(3) 0.029(2) Uani d . 1 . .
H H4BA 0.5168 0.0629 0.7535 0.035 Uiso calc R 1 . .
C C5B 0.4377(7) 0.0984(4) 0.7077(4) 0.030(2) Uani d . 1 . .
H H5BA 0.4462 0.0670 0.6868 0.036 Uiso calc R 1 . .
C C6B 0.3832(6) 0.1479(4) 0.6981(3) 0.0239(19) Uani d . 1 . .
H H6BA 0.3567 0.1507 0.6705 0.029 Uiso calc R 1 . .
C C7B 0.2250(6) 0.2699(4) 0.7697(3) 0.0205(17) Uani d . 1 . .
C C8B 0.2363(6) 0.3124(4) 0.8044(3) 0.0252(19) Uani d . 1 . .
H H8BA 0.2813 0.3408 0.8036 0.030 Uiso calc R 1 . .
C C9B 0.1797(7) 0.3123(4) 0.8405(3) 0.031(2) Uani d . 1 . .
H H9BA 0.1879 0.3403 0.8637 0.037 Uiso calc R 1 . .
C C10B 0.1118(6) 0.2707(4) 0.8417(4) 0.030(2) Uani d . 1 . .
H H10B 0.0738 0.2713 0.8653 0.036 Uiso calc R 1 . .
C C11B 0.1009(6) 0.2289(4) 0.8079(3) 0.030(2) Uani d . 1 . .
H H11B 0.0561 0.2003 0.8088 0.035 Uiso calc R 1 . .
C C12B 0.1564(6) 0.2289(4) 0.7723(3) 0.0221(17) Uani d . 1 . .
H H12B 0.1476 0.2005 0.7494 0.027 Uiso calc R 1 . .
C C13B 0.3844(5) 0.3313(3) 0.7240(3) 0.0196(17) Uani d . 1 . .
H H13C 0.3969 0.3370 0.7552 0.023 Uiso calc R 1 . .
H H13D 0.4365 0.3177 0.7095 0.023 Uiso calc R 1 . .
C C14B 0.3287(5) 0.4648(4) 0.7504(3) 0.0201(17) Uani d . 1 . .
C C15B 0.2751(6) 0.5159(4) 0.7457(3) 0.0233(18) Uani d . 1 . .
H H15B 0.2434 0.5204 0.7198 0.028 Uiso calc R 1 . .
C C16B 0.2678(6) 0.5603(4) 0.7789(3) 0.028(2) Uani d . 1 . .
H H16B 0.2334 0.5953 0.7746 0.034 Uiso calc R 1 . .
C C17B 0.3106(6) 0.5527(4) 0.8177(3) 0.0244(19) Uani d . 1 . .
H H17B 0.3043 0.5818 0.8404 0.029 Uiso calc R 1 . .
C C19B 0.3742(5) 0.4573(4) 0.7893(3) 0.0210(17) Uani d . 1 . .
H H19B 0.4110 0.4235 0.7928 0.025 Uiso calc R 1 . .
C C18B 0.3644(6) 0.5010(4) 0.8234(3) 0.0241(18) Uani d . 1 . .
H H18B 0.3938 0.4957 0.8500 0.029 Uiso calc R 1 . .
C C20B 0.4551(6) 0.4482(3) 0.6796(3) 0.0195(17) Uani d . 1 . .
C C21B 0.4517(6) 0.4984(4) 0.6507(3) 0.0249(19) Uani d . 1 . .
H H21B 0.3990 0.5107 0.6394 0.030 Uiso calc R 1 . .
C C22B 0.5240(7) 0.5309(4) 0.6380(3) 0.029(2) Uani d . 1 . .
H H22B 0.5203 0.5641 0.6182 0.034 Uiso calc R 1 . .
C C23B 0.6013(7) 0.5131(4) 0.6552(3) 0.032(2) Uani d . 1 . .
H H23B 0.6504 0.5348 0.6474 0.038 Uiso calc R 1 . .
C C24B 0.6068(6) 0.4637(4) 0.6839(3) 0.028(2) Uani d . 1 . .
H H24B 0.6597 0.4520 0.6952 0.033 Uiso calc R 1 . .
C C25B 0.5344(6) 0.4309(4) 0.6962(3) 0.0248(19) Uani d . 1 . .
H H25B 0.5390 0.3972 0.7155 0.030 Uiso calc R 1 . .
C C26B 0.0026(6) 0.3163(4) 0.4807(3) 0.0232(18) Uani d . 1 . .
C C27B -0.0607(6) 0.3607(5) 0.4872(4) 0.032(2) Uani d . 1 . .
H H27B -0.0971 0.3580 0.5114 0.039 Uiso calc R 1 . .
C C28B -0.0686(7) 0.4087(5) 0.4572(4) 0.041(3) Uani d . 1 . .
H H28B -0.1108 0.4389 0.4610 0.049 Uiso calc R 1 . .
C C29B -0.0129(7) 0.4122(4) 0.4211(4) 0.035(2) Uani d . 1 . .
H H29B -0.0187 0.4447 0.4008 0.042 Uiso calc R 1 . .
C C30B 0.0487(6) 0.3693(4) 0.4153(3) 0.030(2) Uani d . 1 . .
H H30B 0.0852 0.3724 0.3911 0.036 Uiso calc R 1 . .
C C31B 0.0583(6) 0.3208(4) 0.4448(3) 0.0253(19) Uani d . 1 . .
H H31B 0.1014 0.2913 0.4409 0.030 Uiso calc R 1 . .
C C32B -0.0539(6) 0.1892(4) 0.5767(3) 0.0238(18) Uani d . 1 . .
C C33B -0.0819(6) 0.1475(4) 0.5453(3) 0.0253(19) Uani d . 1 . .
H H33B -0.0452 0.1335 0.5232 0.030 Uiso calc R 1 . .
C C34B -0.1656(6) 0.1267(4) 0.5470(3) 0.030(2) Uani d . 1 . .
H H34B -0.1854 0.0989 0.5256 0.036 Uiso calc R 1 . .
C C35B -0.2202(6) 0.1468(4) 0.5802(3) 0.032(2) Uani d . 1 . .
H H35B -0.2761 0.1322 0.5813 0.038 Uiso calc R 1 . .
C C36B -0.1908(7) 0.1891(5) 0.6119(4) 0.041(3) Uani d . 1 . .
H H36B -0.2264 0.2029 0.6345 0.049 Uiso calc R 1 . .
C C37B -0.1064(6) 0.2102(4) 0.6089(4) 0.034(2) Uani d . 1 . .
H H37B -0.0862 0.2392 0.6294 0.041 Uiso calc R 1 . .
C C38B 0.1337(15) 0.1524(7) 0.4998(7) 0.024(4) Uani d PDU 0.60(3) A 1
C C39B 0.0950(13) 0.1458(6) 0.4591(6) 0.021(3) Uani d PDU 0.60(3) A 1
H H39B 0.0793 0.1808 0.4427 0.025 Uiso calc PR 0.60(3) A 1
C C40B 0.080(2) 0.0872(8) 0.4431(7) 0.035(6) Uani d PDU 0.60(3) A 1
H H40B 0.0516 0.0827 0.4161 0.042 Uiso calc PR 0.60(3) A 1
C C41B 0.1051(17) 0.0348(6) 0.4656(6) 0.040(4) Uani d PDU 0.60(3) A 1
H H41B 0.0891 -0.0049 0.4560 0.048 Uiso calc PR 0.60(3) A 1
C C42B 0.156(2) 0.0426(8) 0.5042(7) 0.060(6) Uani d PDU 0.60(3) A 1
H H42B 0.1864 0.0091 0.5162 0.071 Uiso calc PR 0.60(3) A 1
C C43B 0.1608(17) 0.1005(7) 0.5231(7) 0.042(5) Uani d PDU 0.60(3) A 1
H H43B 0.1820 0.1050 0.5518 0.050 Uiso calc PR 0.60(3) A 1
C C38C 0.117(2) 0.1477(10) 0.5043(9) 0.018(6) Uiso d PDU 0.40(3) A 2
C C39C 0.074(2) 0.1428(11) 0.4646(9) 0.021(6) Uiso d PDU 0.40(3) A 2
H H39C 0.0507 0.1780 0.4510 0.025 Uiso calc PR 0.40(3) A 2
C C40C 0.065(3) 0.0850(12) 0.4458(10) 0.024(6) Uiso d PDU 0.40(3) A 2
H H40C 0.0560 0.0817 0.4155 0.029 Uiso calc PR 0.40(3) A 2
C C41C 0.0708(19) 0.0318(11) 0.4710(8) 0.036(6) Uiso d PDU 0.40(3) A 2
H H41C 0.0494 -0.0063 0.4609 0.043 Uiso calc PR 0.40(3) A 2
C C42C 0.1105(16) 0.0373(9) 0.5131(7) 0.022(5) Uiso d PDU 0.40(3) A 2
H H42C 0.1238 0.0015 0.5293 0.026 Uiso calc PR 0.40(3) A 2
C C43C 0.1294(19) 0.0950(10) 0.5299(8) 0.029(6) Uiso d PDU 0.40(3) A 2
H H43C 0.1503 0.0988 0.5587 0.035 Uiso calc PR 0.40(3) A 2
C C44B 0.3398(6) 0.2701(4) 0.6208(3) 0.0255(19) Uani d . 1 . .
C C45B 0.1993(6) 0.1853(4) 0.6371(3) 0.028(2) Uani d . 1 . .
C C46B 0.1126(6) 0.2808(4) 0.6710(3) 0.026(2) Uani d . 1 . .
C C47B 0.1497(7) 0.4062(4) 0.6822(4) 0.031(2) Uani d . 1 . .
C C48B 0.2187(7) 0.4875(4) 0.6247(4) 0.036(2) Uani d . 1 . .
C C49B 0.3283(6) 0.3990(4) 0.5953(3) 0.027(2) Uani d . 1 . .
C C50B 0.2552(6) 0.3038(4) 0.5450(3) 0.0236(17) Uani d . 1 . .
C C51B 0.1415(6) 0.4010(4) 0.5322(3) 0.0252(19) Uani d . 1 . .
C C52B 0.0540(7) 0.3662(4) 0.6067(3) 0.029(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
C45A Ru1A C44A . . 88.9(4) ?
C45A Ru1A C46A . . 95.8(4) ?
C44A Ru1A C46A . . 174.4(4) ?
C45A Ru1A As1A . . 102.9(3) ?
C44A Ru1A As1A . . 96.3(3) ?
C46A Ru1A As1A . . 85.5(3) ?
C45A Ru1A Ru3A . . 104.9(3) ?
C44A Ru1A Ru3A . . 81.8(3) ?
C46A Ru1A Ru3A . . 94.1(3) ?
As1A Ru1A Ru3A . . 152.08(3) ?
C45A Ru1A Ru2A . . 164.8(3) ?
C44A Ru1A Ru2A . . 86.9(3) ?
C46A Ru1A Ru2A . . 87.7(3) ?
As1A Ru1A Ru2A . . 92.12(3) ?
Ru3A Ru1A Ru2A . . 60.00(2) ?
C47A Ru2A C48A . . 91.4(4) ?
C47A Ru2A C49A . . 175.2(4) ?
C48A Ru2A C49A . . 91.3(5) ?
C47A Ru2A As2A . . 91.2(3) ?
C48A Ru2A As2A . . 103.7(3) ?
C49A Ru2A As2A . . 92.0(3) ?
C47A Ru2A Ru3A . . 78.3(3) ?
C48A Ru2A Ru3A . . 101.1(3) ?
C49A Ru2A Ru3A . . 97.4(3) ?
As2A Ru2A Ru3A . . 153.27(3) ?
C47A Ru2A Ru1A . . 88.3(3) ?
C48A Ru2A Ru1A . . 160.4(3) ?
C49A Ru2A Ru1A . . 87.7(3) ?
As2A Ru2A Ru1A . . 95.90(3) ?
Ru3A Ru2A Ru1A . . 59.72(2) ?
C51A Ru3A C50A . . 90.9(4) ?
C51A Ru3A C52A . . 92.3(4) ?
C50A Ru3A C52A . . 176.7(4) ?
C51A Ru3A P1A . . 106.4(3) ?
C50A Ru3A P1A . . 91.0(3) ?
C52A Ru3A P1A . . 87.5(2) ?
C51A Ru3A Ru1A . . 154.3(3) ?
C50A Ru3A Ru1A . . 96.1(3) ?
C52A Ru3A Ru1A . . 81.1(3) ?
P1A Ru3A Ru1A . . 98.13(7) ?
C51A Ru3A Ru2A . . 96.8(3) ?
C50A Ru3A Ru2A . . 81.0(3) ?
C52A Ru3A Ru2A . . 99.1(3) ?
P1A Ru3A Ru2A . . 155.62(7) ?
Ru1A Ru3A Ru2A . . 60.28(2) ?
C7A As1A C1A . . 101.5(4) ?
C7A As1A C13A . . 105.6(4) ?
C1A As1A C13A . . 97.4(3) ?
C7A As1A Ru1A . . 117.0(3) ?
C1A As1A Ru1A . . 118.7(3) ?
C13A As1A Ru1A . . 114.0(3) ?
C20A As2A C14A . . 96.3(3) ?
C20A As2A C13A . . 103.7(3) ?
C14A As2A C13A . . 104.8(4) ?
C20A As2A Ru2A . . 114.5(3) ?
C14A As2A Ru2A . . 120.7(3) ?
C13A As2A Ru2A . . 114.2(2) ?
O12A P1A O11A . . 100.9(3) ?
O12A P1A O10A . . 97.9(4) ?
O11A P1A O10A . . 102.0(4) ?
O12A P1A Ru3A . . 120.3(3) ?
O11A P1A Ru3A . . 121.7(2) ?
O10A P1A Ru3A . . 110.3(3) ?
C26A O10A P1A . . 128.8(7) ?
C32A O11A P1A . . 125.3(6) ?
C38A O12A P1A . . 133.4(6) ?
C6A C1A C2A . . 120.0(8) ?
C6A C1A As1A . . 121.0(7) ?
C2A C1A As1A . . 119.0(6) ?
C3A C2A C1A . . 120.5(8) ?
C3A C2A H2AA . . 119.8 ?
C1A C2A H2AA . . 119.8 ?
C2A C3A C4A . . 119.8(9) ?
C2A C3A H3AA . . 120.1 ?
C4A C3A H3AA . . 120.1 ?
C5A C4A C3A . . 119.5(8) ?
C5A C4A H4AA . . 120.2 ?
C3A C4A H4AA . . 120.2 ?
C4A C5A C6A . . 120.9(8) ?
C4A C5A H5AA . . 119.6 ?
C6A C5A H5AA . . 119.6 ?
C1A C6A C5A . . 119.3(9) ?
C1A C6A H6AA . . 120.3 ?
C5A C6A H6AA . . 120.3 ?
C8A C7A C12A . . 119.9(8) ?
C8A C7A As1A . . 123.9(6) ?
C12A C7A As1A . . 116.2(7) ?
C9A C8A C7A . . 119.8(9) ?
C9A C8A H8AA . . 120.1 ?
C7A C8A H8AA . . 120.1 ?
C8A C9A C10A . . 120.8(9) ?
C8A C9A H9AA . . 119.6 ?
C10A C9A H9AA . . 119.6 ?
C9A C10A C11A . . 120.0(9) ?
C9A C10A H10A . . 120.0 ?
C11A C10A H10A . . 120.0 ?
C12A C11A C10A . . 119.8(9) ?
C12A C11A H11A . . 120.1 ?
C10A C11A H11A . . 120.1 ?
C11A C12A C7A . . 119.7(9) ?
C11A C12A H12A . . 120.2 ?
C7A C12A H12A . . 120.2 ?
As2A C13A As1A . . 111.3(4) ?
As2A C13A H13A . . 109.4 ?
As1A C13A H13A . . 109.4 ?
As2A C13A H13B . . 109.4 ?
As1A C13A H13B . . 109.4 ?
H13A C13A H13B . . 108.0 ?
C15A C14A C19A . . 119.1(8) ?
C15A C14A As2A . . 118.3(6) ?
C19A C14A As2A . . 122.0(6) ?
C16A C15A C14A . . 120.5(8) ?
C16A C15A H15A . . 119.8 ?
C14A C15A H15A . . 119.8 ?
C15A C16A C17A . . 120.0(8) ?
C15A C16A H16A . . 120.0 ?
C17A C16A H16A . . 120.0 ?
C18A C17A C16A . . 120.2(9) ?
C18A C17A H17A . . 119.9 ?
C16A C17A H17A . . 119.9 ?
C19A C18A C17A . . 119.4(9) ?
C19A C18A H18A . . 120.3 ?
C17A C18A H18A . . 120.3 ?
C18A C19A C14A . . 120.8(8) ?
C18A C19A H19A . . 119.6 ?
C14A C19A H19A . . 119.6 ?
C25A C20A C21A . . 121.1(8) ?
C25A C20A As2A . . 123.1(6) ?
C21A C20A As2A . . 115.5(6) ?
C22A C21A C20A . . 119.2(8) ?
C22A C21A H21A . . 120.4 ?
C20A C21A H21A . . 120.4 ?
C21A C22A C23A . . 121.0(8) ?
C21A C22A H22A . . 119.5 ?
C23A C22A H22A . . 119.5 ?
C22A C23A C24A . . 119.0(8) ?
C22A C23A H23A . . 120.5 ?
C24A C23A H23A . . 120.5 ?
C23A C24A C25A . . 120.2(9) ?
C23A C24A H24A . . 119.9 ?
C25A C24A H24A . . 119.9 ?
C20A C25A C24A . . 119.4(8) ?
C20A C25A H25A . . 120.3 ?
C24A C25A H25A . . 120.3 ?
C27A C26A C31A . . 121.5(9) ?
C27A C26A O10A . . 114.8(9) ?
C31A C26A O10A . . 123.7(9) ?
C26A C27A C28A . . 119.2(10) ?
C26A C27A H27A . . 120.4 ?
C28A C27A H27A . . 120.4 ?
C29A C28A C27A . . 120.1(10) ?
C29A C28A H28A . . 120.0 ?
C27A C28A H28A . . 120.0 ?
C30A C29A C28A . . 120.4(10) ?
C30A C29A H29A . . 119.8 ?
C28A C29A H29A . . 119.8 ?
C29A C30A C31A . . 121.7(10) ?
C29A C30A H30A . . 119.1 ?
C31A C30A H30A . . 119.1 ?
C30A C31A C26A . . 117.1(10) ?
C30A C31A H31A . . 121.4 ?
C26A C31A H31A . . 121.4 ?
C37A C32A C33A . . 122.2(10) ?
C37A C32A O11A . . 120.1(10) ?
C33A C32A O11A . . 117.7(9) ?
C32A C33A C34A . . 118.8(11) ?
C32A C33A H33A . . 120.6 ?
C34A C33A H33A . . 120.6 ?
C35A C34A C33A . . 120.6(12) ?
C35A C34A H34A . . 119.7 ?
C33A C34A H34A . . 119.7 ?
C34A C35A C36A . . 119.8(11) ?
C34A C35A H35A . . 120.1 ?
C36A C35A H35A . . 120.1 ?
C35A C36A C37A . . 120.6(11) ?
C35A C36A H36A . . 119.7 ?
C37A C36A H36A . . 119.7 ?
C32A C37A C36A . . 117.9(11) ?
C32A C37A H37A . . 121.0 ?
C36A C37A H37A . . 121.0 ?
C43A C38A O12A . . 115.3(9) ?
C43A C38A C39A . . 120.7(9) ?
O12A C38A C39A . . 123.7(8) ?
C40A C39A C38A . . 120.8(9) ?
C40A C39A H39A . . 119.6 ?
C38A C39A H39A . . 119.6 ?
C39A C40A C41A . . 118.8(10) ?
C39A C40A H40A . . 120.6 ?
C41A C40A H40A . . 120.6 ?
C42A C41A C40A . . 121.6(10) ?
C42A C41A H41A . . 119.2 ?
C40A C41A H41A . . 119.2 ?
C41A C42A C43A . . 118.6(9) ?
C41A C42A H42A . . 120.7 ?
C43A C42A H42A . . 120.7 ?
C38A C43A C42A . . 119.3(10) ?
C38A C43A H43A . . 120.3 ?
C42A C43A H43A . . 120.3 ?
O1A C44A Ru1A . . 173.7(8) ?
O2A C45A Ru1A . . 176.5(10) ?
O3A C46A Ru1A . . 172.6(8) ?
O4A C47A Ru2A . . 172.7(9) ?
O5A C48A Ru2A . . 177.1(10) ?
O6A C49A Ru2A . . 171.9(9) ?
O7A C50A Ru3A . . 172.7(8) ?
O8A C51A Ru3A . . 176.1(8) ?
O9A C52A Ru3A . . 173.0(8) ?
C45B Ru1B C46B . . 88.0(4) ?
C45B Ru1B C44B . . 97.7(4) ?
C46B Ru1B C44B . . 173.8(4) ?
C45B Ru1B As1B . . 101.4(3) ?
C46B Ru1B As1B . . 95.1(3) ?
C44B Ru1B As1B . . 86.2(3) ?
C45B Ru1B Ru3B . . 105.8(3) ?
C46B Ru1B Ru3B . . 82.5(3) ?
C44B Ru1B Ru3B . . 93.6(2) ?
As1B Ru1B Ru3B . . 152.57(3) ?
C45B Ru1B Ru2B . . 165.4(3) ?
C46B Ru1B Ru2B . . 89.3(3) ?
C44B Ru1B Ru2B . . 84.6(3) ?
As1B Ru1B Ru2B . . 93.13(3) ?
Ru3B Ru1B Ru2B . . 59.60(2) ?
C48B Ru2B C47B . . 90.3(5) ?
C48B Ru2B C49B . . 89.9(4) ?
C47B Ru2B C49B . . 175.6(4) ?
C48B Ru2B As2B . . 104.6(3) ?
C47B Ru2B As2B . . 92.7(3) ?
C49B Ru2B As2B . . 91.5(3) ?
C48B Ru2B Ru3B . . 102.3(3) ?
C47B Ru2B Ru3B . . 96.5(3) ?
C49B Ru2B Ru3B . . 79.2(3) ?
As2B Ru2B Ru3B . . 151.54(3) ?
C48B Ru2B Ru1B . . 160.6(3) ?
C47B Ru2B Ru1B . . 85.7(3) ?
C49B Ru2B Ru1B . . 92.7(3) ?
As2B Ru2B Ru1B . . 94.56(3) ?
Ru3B Ru2B Ru1B . . 59.53(2) ?
C51B Ru3B C52B . . 91.1(4) ?
C51B Ru3B C50B . . 91.7(4) ?
C52B Ru3B C50B . . 176.9(4) ?
C51B Ru3B P1B . . 104.5(3) ?
C52B Ru3B P1B . . 93.3(3) ?
C50B Ru3B P1B . . 87.2(2) ?
C51B Ru3B Ru1B . . 157.0(3) ?
C52B Ru3B Ru1B . . 95.7(3) ?
C50B Ru3B Ru1B . . 81.2(2) ?
P1B Ru3B Ru1B . . 96.98(6) ?
C51B Ru3B Ru2B . . 98.6(3) ?
C52B Ru3B Ru2B . . 82.2(3) ?
C50B Ru3B Ru2B . . 96.1(2) ?
P1B Ru3B Ru2B . . 156.56(7) ?
Ru1B Ru3B Ru2B . . 60.86(2) ?
C7B As1B C1B . . 101.5(3) ?
C7B As1B C13B . . 106.9(4) ?
C1B As1B C13B . . 98.0(3) ?
C7B As1B Ru1B . . 117.0(3) ?
C1B As1B Ru1B . . 118.5(3) ?
C13B As1B Ru1B . . 112.6(3) ?
C20B As2B C13B . . 102.7(3) ?
C20B As2B C14B . . 97.6(3) ?
C13B As2B C14B . . 104.1(4) ?
C20B As2B Ru2B . . 114.3(3) ?
C13B As2B Ru2B . . 115.2(2) ?
C14B As2B Ru2B . . 120.3(3) ?
O11B P1B O10B . . 97.5(3) ?
O11B P1B O12B . . 102.3(3) ?
O10B P1B O12B . . 103.9(3) ?
O11B P1B Ru3B . . 119.7(3) ?
O10B P1B Ru3B . . 120.5(2) ?
O12B P1B Ru3B . . 110.4(2) ?
C26B O10B P1B . . 123.8(5) ?
C32B O11B P1B . . 130.5(5) ?
C38B O12B P1B . . 130.3(11) ?
C38C O12B P1B . . 119.1(15) ?
C2B C1B C6B . . 120.6(8) ?
C2B C1B As1B . . 118.9(6) ?
C6B C1B As1B . . 120.3(7) ?
C1B C2B C3B . . 119.8(9) ?
C1B C2B H2BA . . 120.1 ?
C3B C2B H2BA . . 120.1 ?
C4B C3B C2B . . 119.7(9) ?
C4B C3B H3BA . . 120.2 ?
C2B C3B H3BA . . 120.2 ?
C5B C4B C3B . . 120.3(9) ?
C5B C4B H4BA . . 119.8 ?
C3B C4B H4BA . . 119.8 ?
C4B C5B C6B . . 120.4(9) ?
C4B C5B H5BA . . 119.8 ?
C6B C5B H5BA . . 119.8 ?
C5B C6B C1B . . 119.1(9) ?
C5B C6B H6BA . . 120.5 ?
C1B C6B H6BA . . 120.5 ?
C12B C7B C8B . . 117.7(8) ?
C12B C7B As1B . . 117.9(7) ?
C8B C7B As1B . . 124.4(7) ?
C7B C8B C9B . . 120.1(8) ?
C7B C8B H8BA . . 120.0 ?
C9B C8B H8BA . . 120.0 ?
C10B C9B C8B . . 120.4(9) ?
C10B C9B H9BA . . 119.8 ?
C8B C9B H9BA . . 119.8 ?
C11B C10B C9B . . 119.6(10) ?
C11B C10B H10B . . 120.2 ?
C9B C10B H10B . . 120.2 ?
C10B C11B C12B . . 120.2(9) ?
C10B C11B H11B . . 119.9 ?
C12B C11B H11B . . 119.9 ?
C11B C12B C7B . . 122.1(9) ?
C11B C12B H12B . . 118.9 ?
C7B C12B H12B . . 118.9 ?
As2B C13B As1B . . 112.0(4) ?
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 . . 119.4(8) ?
C19B C14B As2B . . 122.0(6) ?
C15B C14B As2B . . 118.2(7) ?
C14B C15B C16B . . 121.2(9) ?
C14B C15B H15B . . 119.4 ?
C16B C15B H15B . . 119.4 ?
C17B C16B C15B . . 120.0(8) ?
C17B C16B H16B . . 120.0 ?
C15B C16B H16B . . 120.0 ?
C16B C17B C18B . . 119.8(8) ?
C16B C17B H17B . . 120.1 ?
C18B C17B H17B . . 120.1 ?
C14B C19B C18B . . 119.3(8) ?
C14B C19B H19B . . 120.3 ?
C18B C19B H19B . . 120.3 ?
C19B C18B C17B . . 120.3(8) ?
C19B C18B H18B . . 119.9 ?
C17B C18B H18B . . 119.9 ?
C21B C20B C25B . . 117.8(8) ?
C21B C20B As2B . . 118.0(7) ?
C25B C20B As2B . . 124.0(6) ?
C22B C21B C20B . . 122.2(9) ?
C22B C21B H21B . . 118.9 ?
C20B C21B H21B . . 118.9 ?
C23B C22B C21B . . 118.6(9) ?
C23B C22B H22B . . 120.7 ?
C21B C22B H22B . . 120.7 ?
C24B C23B C22B . . 120.6(9) ?
C24B C23B H23B . . 119.7 ?
C22B C23B H23B . . 119.7 ?
C23B C24B C25B . . 120.7(9) ?
C23B C24B H24B . . 119.7 ?
C25B C24B H24B . . 119.7 ?
C24B C25B C20B . . 120.1(8) ?
C24B C25B H25B . . 119.9 ?
C20B C25B H25B . . 119.9 ?
C27B C26B O10B . . 117.0(9) ?
C27B C26B C31B . . 120.7(9) ?
O10B C26B C31B . . 122.3(8) ?
C28B C27B C26B . . 118.9(10) ?
C28B C27B H27B . . 120.6 ?
C26B C27B H27B . . 120.6 ?
C27B C28B C29B . . 119.8(10) ?
C27B C28B H28B . . 120.1 ?
C29B C28B H28B . . 120.1 ?
C30B C29B C28B . . 121.0(10) ?
C30B C29B H29B . . 119.5 ?
C28B C29B H29B . . 119.5 ?
C29B C30B C31B . . 120.5(10) ?
C29B C30B H30B . . 119.7 ?
C31B C30B H30B . . 119.7 ?
C30B C31B C26B . . 119.1(9) ?
C30B C31B H31B . . 120.4 ?
C26B C31B H31B . . 120.4 ?
C37B C32B C33B . . 121.2(9) ?
C37B C32B O11B . . 120.4(8) ?
C33B C32B O11B . . 118.3(8) ?
C32B C33B C34B . . 119.0(9) ?
C32B C33B H33B . . 120.5 ?
C34B C33B H33B . . 120.5 ?
C33B C34B C35B . . 120.8(9) ?
C33B C34B H34B . . 119.6 ?
C35B C34B H34B . . 119.6 ?
C34B C35B C36B . . 119.6(9) ?
C34B C35B H35B . . 120.2 ?
C36B C35B H35B . . 120.2 ?
C35B C36B C37B . . 118.4(9) ?
C35B C36B H36B . . 120.8 ?
C37B C36B H36B . . 120.8 ?
C32B C37B C36B . . 121.0(9) ?
C32B C37B H37B . . 119.5 ?
C36B C37B H37B . . 119.5 ?
O12B C38B C39B . . 121.9(13) ?
O12B C38B C43B . . 117.7(14) ?
C39B C38B C43B . . 120.5(12) ?
C40B C39B C38B . . 119.2(12) ?
C40B C39B H39B . . 120.4 ?
C38B C39B H39B . . 120.4 ?
C39B C40B C41B . . 121.7(14) ?
C39B C40B H40B . . 119.1 ?
C41B C40B H40B . . 119.1 ?
C40B C41B C42B . . 118.1(13) ?
C40B C41B H41B . . 120.9 ?
C42B C41B H41B . . 120.9 ?
C43B C42B C41B . . 118.5(14) ?
C43B C42B H42B . . 120.7 ?
C41B C42B H42B . . 120.7 ?
C42B C43B C38B . . 120.0(14) ?
C42B C43B H43B . . 120.0 ?
C38B C43B H43B . . 120.0 ?
C43C C38C C39C . . 119.4(18) ?
C43C C38C O12B . . 122.1(18) ?
C39C C38C O12B . . 118.5(17) ?
C40C C39C C38C . . 118.5(18) ?
C40C C39C H39C . . 120.8 ?
C38C C39C H39C . . 120.8 ?
C39C C40C C41C . . 121(2) ?
C39C C40C H40C . . 119.5 ?
C41C C40C H40C . . 119.5 ?
C40C C41C C42C . . 117.0(18) ?
C40C C41C H41C . . 121.5 ?
C42C C41C H41C . . 121.5 ?
C43C C42C C41C . . 120.1(17) ?
C43C C42C H42C . . 120.0 ?
C41C C42C H42C . . 120.0 ?
C42C C43C C38C . . 120.0(18) ?
C42C C43C H43C . . 120.0 ?
C38C C43C H43C . . 120.0 ?
O1B C44B Ru1B . . 174.0(8) ?
O2B C45B Ru1B . . 176.7(10) ?
O3B C46B Ru1B . . 174.8(8) ?
O4B C47B Ru2B . . 173.4(8) ?
O5B C48B Ru2B . . 177.0(10) ?
O6B C49B Ru2B . . 173.3(8) ?
O7B C50B Ru3B . . 173.7(7) ?
O8B C51B Ru3B . . 176.1(8) ?
O9B C52B Ru3B . . 173.0(9) ?
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 C45A . 1.900(9) ?
Ru1A C44A . 1.911(11) ?
Ru1A C46A . 1.929(9) ?
Ru1A As1A . 2.4301(12) ?
Ru1A Ru3A . 2.8432(10) ?
Ru1A Ru2A . 2.8594(8) ?
Ru2A C47A . 1.893(10) ?
Ru2A C48A . 1.897(9) ?
Ru2A C49A . 1.938(11) ?
Ru2A As2A . 2.4423(11) ?
Ru2A Ru3A . 2.8513(10) ?
Ru3A C51A . 1.918(9) ?
Ru3A C50A . 1.934(10) ?
Ru3A C52A . 1.955(9) ?
Ru3A P1A . 2.263(2) ?
As1A C7A . 1.926(9) ?
As1A C1A . 1.956(8) ?
As1A C13A . 1.972(7) ?
As2A C20A . 1.945(8) ?
As2A C14A . 1.947(8) ?
As2A C13A . 1.962(7) ?
P1A O12A . 1.583(7) ?
P1A O11A . 1.597(7) ?
P1A O10A . 1.597(7) ?
O1A C44A . 1.150(12) ?
O2A C45A . 1.131(11) ?
O3A C46A . 1.127(11) ?
O4A C47A . 1.152(11) ?
O5A C48A . 1.139(11) ?
O6A C49A . 1.117(12) ?
O7A C50A . 1.129(11) ?
O8A C51A . 1.135(11) ?
O9A C52A . 1.125(10) ?
O10A C26A . 1.413(10) ?
O11A C32A . 1.404(11) ?
O12A C38A . 1.396(12) ?
C1A C6A . 1.383(12) ?
C1A C2A . 1.403(13) ?
C2A C3A . 1.391(11) ?
C2A H2AA . 0.9300 ?
C3A C4A . 1.395(13) ?
C3A H3AA . 0.9300 ?
C4A C5A . 1.392(14) ?
C4A H4AA . 0.9300 ?
C5A C6A . 1.405(12) ?
C5A H5AA . 0.9300 ?
C6A H6AA . 0.9300 ?
C7A C8A . 1.397(12) ?
C7A C12A . 1.398(12) ?
C8A C9A . 1.371(13) ?
C8A H8AA . 0.9300 ?
C9A C10A . 1.371(14) ?
C9A H9AA . 0.9300 ?
C10A C11A . 1.406(15) ?
C10A H10A . 0.9300 ?
C11A C12A . 1.376(14) ?
C11A H11A . 0.9300 ?
C12A H12A . 0.9300 ?
C13A H13A . 0.9700 ?
C13A H13B . 0.9700 ?
C14A C15A . 1.383(11) ?
C14A C19A . 1.400(12) ?
C15A C16A . 1.380(12) ?
C15A H15A . 0.9300 ?
C16A C17A . 1.392(14) ?
C16A H16A . 0.9300 ?
C17A C18A . 1.386(13) ?
C17A H17A . 0.9300 ?
C18A C19A . 1.381(12) ?
C18A H18A . 0.9300 ?
C19A H19A . 0.9300 ?
C20A C25A . 1.374(12) ?
C20A C21A . 1.402(11) ?
C21A C22A . 1.377(11) ?
C21A H21A . 0.9300 ?
C22A C23A . 1.398(14) ?
C22A H22A . 0.9300 ?
C23A C24A . 1.399(13) ?
C23A H23A . 0.9300 ?
C24A C25A . 1.402(12) ?
C24A H24A . 0.9300 ?
C25A H25A . 0.9300 ?
C26A C27A . 1.349(15) ?
C26A C31A . 1.401(14) ?
C27A C28A . 1.385(15) ?
C27A H27A . 0.9300 ?
C28A C29A . 1.375(15) ?
C28A H28A . 0.9300 ?
C29A C30A . 1.331(14) ?
C29A H29A . 0.9300 ?
C30A C31A . 1.391(13) ?
C30A H30A . 0.9300 ?
C31A H31A . 0.9300 ?
C32A C37A . 1.358(14) ?
C32A C33A . 1.360(15) ?
C33A C34A . 1.401(16) ?
C33A H33A . 0.9300 ?
C34A C35A . 1.355(18) ?
C34A H34A . 0.9300 ?
C35A C36A . 1.366(19) ?
C35A H35A . 0.9300 ?
C36A C37A . 1.415(15) ?
C36A H36A . 0.9300 ?
C37A H37A . 0.9300 ?
C38A C43A . 1.369(13) ?
C38A C39A . 1.399(14) ?
C39A C40A . 1.350(13) ?
C39A H39A . 0.9300 ?
C40A C41A . 1.407(15) ?
C40A H40A . 0.9300 ?
C41A C42A . 1.374(14) ?
C41A H41A . 0.9300 ?
C42A C43A . 1.413(14) ?
C42A H42A . 0.9300 ?
C43A H43A . 0.9300 ?
Ru1B C45B . 1.892(8) ?
Ru1B C46B . 1.933(10) ?
Ru1B C44B . 1.948(10) ?
Ru1B As1B . 2.4025(11) ?
Ru1B Ru3B . 2.8235(10) ?
Ru1B Ru2B . 2.8613(8) ?
Ru2B C48B . 1.885(9) ?
Ru2B C47B . 1.898(12) ?
Ru2B C49B . 1.944(10) ?
Ru2B As2B . 2.4189(11) ?
Ru2B Ru3B . 2.8256(9) ?
Ru3B C51B . 1.892(9) ?
Ru3B C52B . 1.941(11) ?
Ru3B C50B . 1.956(9) ?
Ru3B P1B . 2.247(2) ?
As1B C7B . 1.943(9) ?
As1B C1B . 1.958(7) ?
As1B C13B . 1.966(8) ?
As2B C20B . 1.940(8) ?
As2B C13B . 1.956(7) ?
As2B C14B . 1.961(8) ?
P1B O11B . 1.558(6) ?
P1B O10B . 1.608(6) ?
P1B O12B . 1.618(6) ?
O1B C44B . 1.144(12) ?
O2B C45B . 1.156(10) ?
O3B C46B . 1.154(12) ?
O4B C47B . 1.178(13) ?
O5B C48B . 1.145(11) ?
O6B C49B . 1.155(12) ?
O7B C50B . 1.149(11) ?
O8B C51B . 1.158(11) ?
O9B C52B . 1.154(12) ?
O10B C26B . 1.391(10) ?
O11B C32B . 1.440(10) ?
O12B C38B . 1.358(16) ?
O12B C38C . 1.46(2) ?
C1B C2B . 1.358(13) ?
C1B C6B . 1.398(12) ?
C2B C3B . 1.405(11) ?
C2B H2BA . 0.9300 ?
C3B C4B . 1.378(14) ?
C3B H3BA . 0.9300 ?
C4B C5B . 1.372(14) ?
C4B H4BA . 0.9300 ?
C5B C6B . 1.389(12) ?
C5B H5BA . 0.9300 ?
C6B H6BA . 0.9300 ?
C7B C12B . 1.388(12) ?
C7B C8B . 1.397(12) ?
C8B C9B . 1.405(13) ?
C8B H8BA . 0.9300 ?
C9B C10B . 1.387(13) ?
C9B H9BA . 0.9300 ?
C10B C11B . 1.366(14) ?
C10B H10B . 0.9300 ?
C11B C12B . 1.383(14) ?
C11B H11B . 0.9300 ?
C12B H12B . 0.9300 ?
C13B H13C . 0.9700 ?
C13B H13D . 0.9700 ?
C14B C19B . 1.381(12) ?
C14B C15B . 1.384(11) ?
C15B C16B . 1.385(11) ?
C15B H15B . 0.9300 ?
C16B C17B . 1.357(14) ?
C16B H16B . 0.9300 ?
C17B C18B . 1.399(12) ?
C17B H17B . 0.9300 ?
C19B C18B . 1.398(12) ?
C19B H19B . 0.9300 ?
C18B H18B . 0.9300 ?
C20B C21B . 1.385(11) ?
C20B C25B . 1.387(13) ?
C21B C22B . 1.382(12) ?
C21B H21B . 0.9300 ?
C22B C23B . 1.369(15) ?
C22B H22B . 0.9300 ?
C23B C24B . 1.366(14) ?
C23B H23B . 0.9300 ?
C24B C25B . 1.383(13) ?
C24B H24B . 0.9300 ?
C25B H25B . 0.9300 ?
C26B C27B . 1.386(13) ?
C26B C31B . 1.395(13) ?
C27B C28B . 1.373(14) ?
C27B H27B . 0.9300 ?
C28B C29B . 1.399(16) ?
C28B H28B . 0.9300 ?
C29B C30B . 1.342(14) ?
C29B H29B . 0.9300 ?
C30B C31B . 1.376(13) ?
C30B H30B . 0.9300 ?
C31B H31B . 0.9300 ?
C32B C37B . 1.352(13) ?
C32B C33B . 1.372(13) ?
C33B C34B . 1.385(14) ?
C33B H33B . 0.9300 ?
C34B C35B . 1.387(14) ?
C34B H34B . 0.9300 ?
C35B C36B . 1.394(14) ?
C35B H35B . 0.9300 ?
C36B C37B . 1.399(14) ?
C36B H36B . 0.9300 ?
C37B H37B . 0.9300 ?
C38B C39B . 1.375(16) ?
C38B C43B . 1.380(17) ?
C39B C40B . 1.362(15) ?
C39B H39B . 0.9300 ?
C40B C41B . 1.369(16) ?
C40B H40B . 0.9300 ?
C41B C42B . 1.423(19) ?
C41B H41B . 0.9300 ?
C42B C43B . 1.364(17) ?
C42B H42B . 0.9300 ?
C43B H43B . 0.9300 ?
C38C C43C . 1.379(19) ?
C38C C39C . 1.380(19) ?
C39C C40C . 1.364(18) ?
C39C H39C . 0.9300 ?
C40C C41C . 1.370(19) ?
C40C H40C . 0.9300 ?
C41C C42C . 1.42(2) ?
C41C H41C . 0.9300 ?
C42C C43C . 1.366(19) ?
C42C H42C . 0.9300 ?
C43C H43C . 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
C31A H31A O12A . 0.93 2.42 3.014(13) 121 yes
C39A H39A O11A . 0.93 2.38 2.959(11) 120 yes
C43B H43B O2B . 0.93 2.53 3.42(2) 158 yes
C11A H11A Cg1 2_656 0.93 2.95 3.742(12) 144 y
C11B H11B Cg2 2_546 0.93 2.85 3.664(10) 147 y
C16A H16A Cg1 1_565 0.93 2.82 3.668(10) 151 y
C16B H16B Cg2 1_555 0.93 2.82 3.627(10) 146 y
C24A H24A Cg3 2_556 0.93 2.96 3.719(10) 140 y
C24B H24B Cg4 2_646 0.93 2.91 3.679(10) 141 y
C36B H36B Cg5 2_546 0.93 2.85 3.756(12) 166 y
C40A H40A Cg6 3_666 0.93 2.82 3.660(10) 150 y
C40B H40B Cg7 3_566 0.93 2.71 3.55(2) 150 y
C40C H40C Cg7 3_566 0.93 2.70 3.56(3) 154 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
C45A Ru1A Ru2A C47A . . . . 85.1(12) ?
C44A Ru1A Ru2A C47A . . . . 159.7(4) ?
C46A Ru1A Ru2A C47A . . . . -18.7(4) ?
As1A Ru1A Ru2A C47A . . . . -104.1(3) ?
Ru3A Ru1A Ru2A C47A . . . . 77.4(3) ?
C45A Ru1A Ru2A C48A . . . . -4.5(16) ?
C44A Ru1A Ru2A C48A . . . . 70.0(11) ?
C46A Ru1A Ru2A C48A . . . . -108.3(11) ?
As1A Ru1A Ru2A C48A . . . . 166.2(11) ?
Ru3A Ru1A Ru2A C48A . . . . -12.2(11) ?
C45A Ru1A Ru2A C49A . . . . -92.2(12) ?
C44A Ru1A Ru2A C49A . . . . -17.6(4) ?
C46A Ru1A Ru2A C49A . . . . 164.0(4) ?
As1A Ru1A Ru2A C49A . . . . 78.6(3) ?
Ru3A Ru1A Ru2A C49A . . . . -99.9(3) ?
C45A Ru1A Ru2A As2A . . . . 176.1(12) ?
C44A Ru1A Ru2A As2A . . . . -109.3(3) ?
C46A Ru1A Ru2A As2A . . . . 72.3(3) ?
As1A Ru1A Ru2A As2A . . . . -13.14(4) ?
Ru3A Ru1A Ru2A As2A . . . . 168.37(4) ?
C45A Ru1A Ru2A Ru3A . . . . 7.7(12) ?
C44A Ru1A Ru2A Ru3A . . . . 82.3(3) ?
C46A Ru1A Ru2A Ru3A . . . . -96.1(3) ?
As1A Ru1A Ru2A Ru3A . . . . 178.49(4) ?
C45A Ru1A Ru3A C51A . . . . 153.0(7) ?
C44A Ru1A Ru3A C51A . . . . -120.3(7) ?
C46A Ru1A Ru3A C51A . . . . 55.8(7) ?
As1A Ru1A Ru3A C51A . . . . -32.4(6) ?
Ru2A Ru1A Ru3A C51A . . . . -29.1(6) ?
C45A Ru1A Ru3A C50A . . . . -101.9(4) ?
C44A Ru1A Ru3A C50A . . . . -15.2(4) ?
C46A Ru1A Ru3A C50A . . . . 161.0(4) ?
As1A Ru1A Ru3A C50A . . . . 72.8(3) ?
Ru2A Ru1A Ru3A C50A . . . . 76.0(3) ?
C45A Ru1A Ru3A C52A . . . . 76.2(4) ?
C44A Ru1A Ru3A C52A . . . . 162.9(4) ?
C46A Ru1A Ru3A C52A . . . . -20.9(4) ?
As1A Ru1A Ru3A C52A . . . . -109.1(2) ?
Ru2A Ru1A Ru3A C52A . . . . -105.9(2) ?
C45A Ru1A Ru3A P1A . . . . -10.0(3) ?
C44A Ru1A Ru3A P1A . . . . 76.7(3) ?
C46A Ru1A Ru3A P1A . . . . -107.1(3) ?
As1A Ru1A Ru3A P1A . . . . 164.70(10) ?
Ru2A Ru1A Ru3A P1A . . . . 167.93(7) ?
C45A Ru1A Ru3A Ru2A . . . . -177.9(3) ?
C44A Ru1A Ru3A Ru2A . . . . -91.2(3) ?
C46A Ru1A Ru3A Ru2A . . . . 85.0(3) ?
As1A Ru1A Ru3A Ru2A . . . . -3.23(8) ?
C47A Ru2A Ru3A C51A . . . . 72.7(4) ?
C48A Ru2A Ru3A C51A . . . . -16.4(5) ?
C49A Ru2A Ru3A C51A . . . . -109.2(4) ?
As2A Ru2A Ru3A C51A . . . . 141.3(3) ?
Ru1A Ru2A Ru3A C51A . . . . 167.7(3) ?
C47A Ru2A Ru3A C50A . . . . 162.6(4) ?
C48A Ru2A Ru3A C50A . . . . 73.5(5) ?
C49A Ru2A Ru3A C50A . . . . -19.4(4) ?
As2A Ru2A Ru3A C50A . . . . -128.9(3) ?
Ru1A Ru2A Ru3A C50A . . . . -102.4(3) ?
C47A Ru2A Ru3A C52A . . . . -20.7(4) ?
C48A Ru2A Ru3A C52A . . . . -109.9(4) ?
C49A Ru2A Ru3A C52A . . . . 157.3(4) ?
As2A Ru2A Ru3A C52A . . . . 47.8(3) ?
Ru1A Ru2A Ru3A C52A . . . . 74.2(2) ?
C47A Ru2A Ru3A P1A . . . . -125.1(3) ?
C48A Ru2A Ru3A P1A . . . . 145.7(4) ?
C49A Ru2A Ru3A P1A . . . . 52.9(3) ?
As2A Ru2A Ru3A P1A . . . . -56.58(19) ?
Ru1A Ru2A Ru3A P1A . . . . -30.11(16) ?
C47A Ru2A Ru3A Ru1A . . . . -95.0(3) ?
C48A Ru2A Ru3A Ru1A . . . . 175.9(4) ?
C49A Ru2A Ru3A Ru1A . . . . 83.0(3) ?
As2A Ru2A Ru3A Ru1A . . . . -26.47(8) ?
C45A Ru1A As1A C7A . . . . 84.8(4) ?
C44A Ru1A As1A C7A . . . . -5.5(4) ?
C46A Ru1A As1A C7A . . . . 179.8(4) ?
Ru3A Ru1A As1A C7A . . . . -89.9(3) ?
Ru2A Ru1A As1A C7A . . . . -92.7(3) ?
C45A Ru1A As1A C1A . . . . -37.4(4) ?
C44A Ru1A As1A C1A . . . . -127.8(4) ?
C46A Ru1A As1A C1A . . . . 57.5(4) ?
Ru3A Ru1A As1A C1A . . . . 147.9(3) ?
Ru2A Ru1A As1A C1A . . . . 145.1(3) ?
C45A Ru1A As1A C13A . . . . -151.3(4) ?
C44A Ru1A As1A C13A . . . . 118.3(4) ?
C46A Ru1A As1A C13A . . . . -56.4(4) ?
Ru3A Ru1A As1A C13A . . . . 34.0(3) ?
Ru2A Ru1A As1A C13A . . . . 31.2(3) ?
C47A Ru2A As2A C20A . . . . -36.1(4) ?
C48A Ru2A As2A C20A . . . . 55.7(5) ?
C49A Ru2A As2A C20A . . . . 147.5(4) ?
Ru3A Ru2A As2A C20A . . . . -101.8(3) ?
Ru1A Ru2A As2A C20A . . . . -124.5(3) ?
C47A Ru2A As2A C14A . . . . -150.3(4) ?
C48A Ru2A As2A C14A . . . . -58.5(5) ?
C49A Ru2A As2A C14A . . . . 33.3(4) ?
Ru3A Ru2A As2A C14A . . . . 144.0(3) ?
Ru1A Ru2A As2A C14A . . . . 121.3(3) ?
C47A Ru2A As2A C13A . . . . 83.3(4) ?
C48A Ru2A As2A C13A . . . . 175.1(5) ?
C49A Ru2A As2A C13A . . . . -93.1(4) ?
Ru3A Ru2A As2A C13A . . . . 17.6(3) ?
Ru1A Ru2A As2A C13A . . . . -5.2(3) ?
C51A Ru3A P1A O12A . . . . -124.1(4) ?
C50A Ru3A P1A O12A . . . . 144.6(4) ?
C52A Ru3A P1A O12A . . . . -32.4(4) ?
Ru1A Ru3A P1A O12A . . . . 48.2(3) ?
Ru2A Ru3A P1A O12A . . . . 74.3(4) ?
C51A Ru3A P1A O11A . . . . 4.0(4) ?
C50A Ru3A P1A O11A . . . . -87.3(4) ?
C52A Ru3A P1A O11A . . . . 95.7(4) ?
Ru1A Ru3A P1A O11A . . . . 176.3(3) ?
Ru2A Ru3A P1A O11A . . . . -157.5(3) ?
C51A Ru3A P1A O10A . . . . 123.2(4) ?
C50A Ru3A P1A O10A . . . . 31.9(4) ?
C52A Ru3A P1A O10A . . . . -145.1(4) ?
Ru1A Ru3A P1A O10A . . . . -64.4(3) ?
Ru2A Ru3A P1A O10A . . . . -38.3(4) ?
O12A P1A O10A C26A . . . . 63.0(9) ?
O11A P1A O10A C26A . . . . -39.9(9) ?
Ru3A P1A O10A C26A . . . . -170.5(7) ?
O12A P1A O11A C32A . . . . 147.5(8) ?
O10A P1A O11A C32A . . . . -111.9(8) ?
Ru3A P1A O11A C32A . . . . 11.3(9) ?
O11A P1A O12A C38A . . . . -36.0(9) ?
O10A P1A O12A C38A . . . . -140.0(8) ?
Ru3A P1A O12A C38A . . . . 101.0(8) ?
C7A As1A C1A C6A . . . . -131.5(7) ?
C13A As1A C1A C6A . . . . 120.8(7) ?
Ru1A As1A C1A C6A . . . . -1.8(8) ?
C7A As1A C1A C2A . . . . 49.3(7) ?
C13A As1A C1A C2A . . . . -58.3(7) ?
Ru1A As1A C1A C2A . . . . 179.1(6) ?
C6A C1A C2A C3A . . . . -1.4(13) ?
As1A C1A C2A C3A . . . . 177.8(6) ?
C1A C2A C3A C4A . . . . 1.5(13) ?
C2A C3A C4A C5A . . . . -1.7(13) ?
C3A C4A C5A C6A . . . . 1.8(13) ?
C2A C1A C6A C5A . . . . 1.5(13) ?
As1A C1A C6A C5A . . . . -177.7(6) ?
C4A C5A C6A C1A . . . . -1.7(13) ?
C1A As1A C7A C8A . . . . -99.9(8) ?
C13A As1A C7A C8A . . . . 1.2(8) ?
Ru1A As1A C7A C8A . . . . 129.3(7) ?
C1A As1A C7A C12A . . . . 81.3(7) ?
C13A As1A C7A C12A . . . . -177.5(7) ?
Ru1A As1A C7A C12A . . . . -49.5(7) ?
C12A C7A C8A C9A . . . . 1.4(14) ?
As1A C7A C8A C9A . . . . -177.3(7) ?
C7A C8A C9A C10A . . . . -1.1(15) ?
C8A C9A C10A C11A . . . . 0.3(15) ?
C9A C10A C11A C12A . . . . 0.1(15) ?
C10A C11A C12A C7A . . . . 0.2(15) ?
C8A C7A C12A C11A . . . . -0.9(14) ?
As1A C7A C12A C11A . . . . 177.8(7) ?
C20A As2A C13A As1A . . . . 152.3(4) ?
C14A As2A C13A As1A . . . . -107.3(4) ?
Ru2A As2A C13A As1A . . . . 27.0(5) ?
C7A As1A C13A As2A . . . . 89.5(5) ?
C1A As1A C13A As2A . . . . -166.3(4) ?
Ru1A As1A C13A As2A . . . . -40.3(5) ?
C20A As2A C14A C15A . . . . -94.7(7) ?
C13A As2A C14A C15A . . . . 159.2(6) ?
Ru2A As2A C14A C15A . . . . 28.6(7) ?
C20A As2A C14A C19A . . . . 76.5(7) ?
C13A As2A C14A C19A . . . . -29.6(7) ?
Ru2A As2A C14A C19A . . . . -160.2(6) ?
C19A C14A C15A C16A . . . . 1.2(13) ?
As2A C14A C15A C16A . . . . 172.7(7) ?
C14A C15A C16A C17A . . . . -1.0(14) ?
C15A C16A C17A C18A . . . . 0.4(14) ?
C16A C17A C18A C19A . . . . -0.1(14) ?
C17A C18A C19A C14A . . . . 0.3(13) ?
C15A C14A C19A C18A . . . . -0.9(13) ?
As2A C14A C19A C18A . . . . -172.0(7) ?
C14A As2A C20A C25A . . . . -88.8(7) ?
C13A As2A C20A C25A . . . . 18.2(8) ?
Ru2A As2A C20A C25A . . . . 143.3(6) ?
C14A As2A C20A C21A . . . . 85.1(7) ?
C13A As2A C20A C21A . . . . -168.0(6) ?
Ru2A As2A C20A C21A . . . . -42.8(7) ?
C25A C20A C21A C22A . . . . -0.2(13) ?
As2A C20A C21A C22A . . . . -174.1(7) ?
C20A C21A C22A C23A . . . . -0.4(13) ?
C21A C22A C23A C24A . . . . 0.8(14) ?
C22A C23A C24A C25A . . . . -0.6(14) ?
C21A C20A C25A C24A . . . . 0.3(13) ?
As2A C20A C25A C24A . . . . 173.8(7) ?
C23A C24A C25A C20A . . . . 0.1(14) ?
P1A O10A C26A C27A . . . . 152.0(8) ?
P1A O10A C26A C31A . . . . -29.4(14) ?
C31A C26A C27A C28A . . . . -0.6(17) ?
O10A C26A C27A C28A . . . . 178.0(10) ?
C26A C27A C28A C29A . . . . -0.4(17) ?
C27A C28A C29A C30A . . . . 1.5(16) ?
C28A C29A C30A C31A . . . . -1.7(16) ?
C29A C30A C31A C26A . . . . 0.7(15) ?
C27A C26A C31A C30A . . . . 0.4(16) ?
O10A C26A C31A C30A . . . . -178.0(9) ?
P1A O11A C32A C37A . . . . 79.0(11) ?
P1A O11A C32A C33A . . . . -101.5(10) ?
C37A C32A C33A C34A . . . . 1.8(16) ?
O11A C32A C33A C34A . . . . -177.7(9) ?
C32A C33A C34A C35A . . . . -1.9(17) ?
C33A C34A C35A C36A . . . . 2.0(19) ?
C34A C35A C36A C37A . . . . -2(2) ?
C33A C32A C37A C36A . . . . -1.7(17) ?
O11A C32A C37A C36A . . . . 177.8(10) ?
C35A C36A C37A C32A . . . . 1.8(19) ?
P1A O12A C38A C43A . . . . -134.9(9) ?
P1A O12A C38A C39A . . . . 50.9(13) ?
C43A C38A C39A C40A . . . . -1.3(15) ?
O12A C38A C39A C40A . . . . 172.6(9) ?
C38A C39A C40A C41A . . . . 3.8(15) ?
C39A C40A C41A C42A . . . . -2.1(16) ?
C40A C41A C42A C43A . . . . -2.0(16) ?
O12A C38A C43A C42A . . . . -177.3(9) ?
C39A C38A C43A C42A . . . . -2.9(15) ?
C41A C42A C43A C38A . . . . 4.5(15) ?
C45B Ru1B Ru2B C48B . . . . 19.1(17) ?
C46B Ru1B Ru2B C48B . . . . -60.0(11) ?
C44B Ru1B Ru2B C48B . . . . 119.1(11) ?
As1B Ru1B Ru2B C48B . . . . -155.1(11) ?
Ru3B Ru1B Ru2B C48B . . . . 21.7(11) ?
C45B Ru1B Ru2B C47B . . . . 97.6(13) ?
C46B Ru1B Ru2B C47B . . . . 18.4(4) ?
C44B Ru1B Ru2B C47B . . . . -162.5(4) ?
As1B Ru1B Ru2B C47B . . . . -76.7(3) ?
Ru3B Ru1B Ru2B C47B . . . . 100.1(3) ?
C45B Ru1B Ru2B C49B . . . . -78.3(13) ?
C46B Ru1B Ru2B C49B . . . . -157.5(4) ?
C44B Ru1B Ru2B C49B . . . . 21.6(4) ?
As1B Ru1B Ru2B C49B . . . . 107.5(3) ?
Ru3B Ru1B Ru2B C49B . . . . -75.8(3) ?
C45B Ru1B Ru2B As2B . . . . -170.1(13) ?
C46B Ru1B Ru2B As2B . . . . 110.8(3) ?
C44B Ru1B Ru2B As2B . . . . -70.1(3) ?
As1B Ru1B Ru2B As2B . . . . 15.70(4) ?
Ru3B Ru1B Ru2B As2B . . . . -167.52(4) ?
C45B Ru1B Ru2B Ru3B . . . . -2.5(13) ?
C46B Ru1B Ru2B Ru3B . . . . -81.7(3) ?
C44B Ru1B Ru2B Ru3B . . . . 97.4(3) ?
As1B Ru1B Ru2B Ru3B . . . . -176.78(4) ?
C45B Ru1B Ru3B C51B . . . . -151.8(8) ?
C46B Ru1B Ru3B C51B . . . . 122.5(8) ?
C44B Ru1B Ru3B C51B . . . . -52.7(7) ?
As1B Ru1B Ru3B C51B . . . . 35.9(7) ?
Ru2B Ru1B Ru3B C51B . . . . 28.9(7) ?
C45B Ru1B Ru3B C52B . . . . 101.6(4) ?
C46B Ru1B Ru3B C52B . . . . 15.8(4) ?
C44B Ru1B Ru3B C52B . . . . -159.3(4) ?
As1B Ru1B Ru3B C52B . . . . -70.8(3) ?
Ru2B Ru1B Ru3B C52B . . . . -77.8(3) ?
C45B Ru1B Ru3B C50B . . . . -78.5(4) ?
C46B Ru1B Ru3B C50B . . . . -164.3(4) ?
C44B Ru1B Ru3B C50B . . . . 20.5(3) ?
As1B Ru1B Ru3B C50B . . . . 109.1(2) ?
Ru2B Ru1B Ru3B C50B . . . . 102.1(2) ?
C45B Ru1B Ru3B P1B . . . . 7.5(3) ?
C46B Ru1B Ru3B P1B . . . . -78.3(3) ?
C44B Ru1B Ru3B P1B . . . . 106.6(3) ?
As1B Ru1B Ru3B P1B . . . . -164.88(10) ?
Ru2B Ru1B Ru3B P1B . . . . -171.88(7) ?
C45B Ru1B Ru3B Ru2B . . . . 179.3(3) ?
C46B Ru1B Ru3B Ru2B . . . . 93.6(3) ?
C44B Ru1B Ru3B Ru2B . . . . -81.6(3) ?
As1B Ru1B Ru3B Ru2B . . . . 7.00(8) ?
C48B Ru2B Ru3B C51B . . . . 18.2(5) ?
C47B Ru2B Ru3B C51B . . . . 109.9(4) ?
C49B Ru2B Ru3B C51B . . . . -69.3(4) ?
As2B Ru2B Ru3B C51B . . . . -142.1(3) ?
Ru1B Ru2B Ru3B C51B . . . . -169.0(3) ?
C48B Ru2B Ru3B C52B . . . . -71.8(5) ?
C47B Ru2B Ru3B C52B . . . . 19.9(4) ?
C49B Ru2B Ru3B C52B . . . . -159.2(4) ?
As2B Ru2B Ru3B C52B . . . . 127.9(3) ?
Ru1B Ru2B Ru3B C52B . . . . 101.0(3) ?
C48B Ru2B Ru3B C50B . . . . 110.9(4) ?
C47B Ru2B Ru3B C50B . . . . -157.4(4) ?
C49B Ru2B Ru3B C50B . . . . 23.4(4) ?
As2B Ru2B Ru3B C50B . . . . -49.5(2) ?
Ru1B Ru2B Ru3B C50B . . . . -76.3(2) ?
C48B Ru2B Ru3B P1B . . . . -152.1(4) ?
C47B Ru2B Ru3B P1B . . . . -60.5(3) ?
C49B Ru2B Ru3B P1B . . . . 120.4(3) ?
As2B Ru2B Ru3B P1B . . . . 47.5(2) ?
Ru1B Ru2B Ru3B P1B . . . . 20.64(17) ?
C48B Ru2B Ru3B Ru1B . . . . -172.8(4) ?
C47B Ru2B Ru3B Ru1B . . . . -81.1(3) ?
C49B Ru2B Ru3B Ru1B . . . . 99.7(3) ?
As2B Ru2B Ru3B Ru1B . . . . 26.88(8) ?
C45B Ru1B As1B C7B . . . . -86.5(4) ?
C46B Ru1B As1B C7B . . . . 2.4(4) ?
C44B Ru1B As1B C7B . . . . 176.3(4) ?
Ru3B Ru1B As1B C7B . . . . 86.0(3) ?
Ru2B Ru1B As1B C7B . . . . 92.0(3) ?
C45B Ru1B As1B C1B . . . . 35.6(4) ?
C46B Ru1B As1B C1B . . . . 124.6(4) ?
C44B Ru1B As1B C1B . . . . -61.5(4) ?
Ru3B Ru1B As1B C1B . . . . -151.9(3) ?
Ru2B Ru1B As1B C1B . . . . -145.9(3) ?
C45B Ru1B As1B C13B . . . . 149.0(4) ?
C46B Ru1B As1B C13B . . . . -122.0(4) ?
C44B Ru1B As1B C13B . . . . 51.9(4) ?
Ru3B Ru1B As1B C13B . . . . -38.5(3) ?
Ru2B Ru1B As1B C13B . . . . -32.5(3) ?
C48B Ru2B As2B C20B . . . . -62.6(4) ?
C47B Ru2B As2B C20B . . . . -153.6(4) ?
C49B Ru2B As2B C20B . . . . 27.7(4) ?
Ru3B Ru2B As2B C20B . . . . 97.5(3) ?
Ru1B Ru2B As2B C20B . . . . 120.5(2) ?
C48B Ru2B As2B C13B . . . . 178.8(5) ?
C47B Ru2B As2B C13B . . . . 87.8(4) ?
C49B Ru2B As2B C13B . . . . -90.9(4) ?
Ru3B Ru2B As2B C13B . . . . -21.0(3) ?
Ru1B Ru2B As2B C13B . . . . 2.0(3) ?
C48B Ru2B As2B C14B . . . . 53.0(5) ?
C47B Ru2B As2B C14B . . . . -38.0(4) ?
C49B Ru2B As2B C14B . . . . 143.2(4) ?
Ru3B Ru2B As2B C14B . . . . -146.9(3) ?
Ru1B Ru2B As2B C14B . . . . -123.9(3) ?
C51B Ru3B P1B O11B . . . . -146.9(4) ?
C52B Ru3B P1B O11B . . . . -54.9(4) ?
C50B Ru3B P1B O11B . . . . 122.1(4) ?
Ru1B Ru3B P1B O11B . . . . 41.3(3) ?
Ru2B Ru3B P1B O11B . . . . 23.2(4) ?
C51B Ru3B P1B O10B . . . . -26.3(4) ?
C52B Ru3B P1B O10B . . . . 65.7(4) ?
C50B Ru3B P1B O10B . . . . -117.3(4) ?
Ru1B Ru3B P1B O10B . . . . 161.9(3) ?
Ru2B Ru3B P1B O10B . . . . 143.8(3) ?
C51B Ru3B P1B O12B . . . . 94.8(4) ?
C52B Ru3B P1B O12B . . . . -173.1(4) ?
C50B Ru3B P1B O12B . . . . 3.8(4) ?
Ru1B Ru3B P1B O12B . . . . -76.9(3) ?
Ru2B Ru3B P1B O12B . . . . -95.0(3) ?
O11B P1B O10B C26B . . . . 163.7(7) ?
O12B P1B O10B C26B . . . . -91.6(7) ?
Ru3B P1B O10B C26B . . . . 32.6(8) ?
O10B P1B O11B C32B . . . . -8.4(8) ?
O12B P1B O11B C32B . . . . -114.5(7) ?
Ru3B P1B O11B C32B . . . . 123.2(7) ?
O11B P1B O12B C38B . . . . 43.5(12) ?
O10B P1B O12B C38B . . . . -57.5(12) ?
Ru3B P1B O12B C38B . . . . 172.0(11) ?
O11B P1B O12B C38C . . . . 39.3(12) ?
O10B P1B O12B C38C . . . . -61.8(12) ?
Ru3B P1B O12B C38C . . . . 167.7(11) ?
C7B As1B C1B C2B . . . . -50.7(8) ?
C13B As1B C1B C2B . . . . 58.4(8) ?
Ru1B As1B C1B C2B . . . . 179.7(6) ?
C7B As1B C1B C6B . . . . 134.4(7) ?
C13B As1B C1B C6B . . . . -116.5(7) ?
Ru1B As1B C1B C6B . . . . 4.7(8) ?
C6B C1B C2B C3B . . . . -1.3(13) ?
As1B C1B C2B C3B . . . . -176.2(7) ?
C1B C2B C3B C4B . . . . 0.6(14) ?
C2B C3B C4B C5B . . . . -0.9(15) ?
C3B C4B C5B C6B . . . . 1.8(15) ?
C4B C5B C6B C1B . . . . -2.4(14) ?
C2B C1B C6B C5B . . . . 2.2(13) ?
As1B C1B C6B C5B . . . . 177.0(7) ?
C1B As1B C7B C12B . . . . -79.3(7) ?
C13B As1B C7B C12B . . . . 178.6(6) ?
Ru1B As1B C7B C12B . . . . 51.3(7) ?
C1B As1B C7B C8B . . . . 102.7(8) ?
C13B As1B C7B C8B . . . . 0.6(8) ?
Ru1B As1B C7B C8B . . . . -126.8(7) ?
C12B C7B C8B C9B . . . . 0.5(13) ?
As1B C7B C8B C9B . . . . 178.5(7) ?
C7B C8B C9B C10B . . . . -0.8(14) ?
C8B C9B C10B C11B . . . . 1.2(14) ?
C9B C10B C11B C12B . . . . -1.3(14) ?
C10B C11B C12B C7B . . . . 1.0(14) ?
C8B C7B C12B C11B . . . . -0.6(13) ?
As1B C7B C12B C11B . . . . -178.8(7) ?
C20B As2B C13B As1B . . . . -149.4(4) ?
C14B As2B C13B As1B . . . . 109.3(5) ?
Ru2B As2B C13B As1B . . . . -24.6(5) ?
C7B As1B C13B As2B . . . . -90.3(5) ?
C1B As1B C13B As2B . . . . 165.0(5) ?
Ru1B As1B C13B As2B . . . . 39.5(5) ?
C20B As2B C14B C19B . . . . -75.1(7) ?
C13B As2B C14B C19B . . . . 30.1(8) ?
Ru2B As2B C14B C19B . . . . 160.9(6) ?
C20B As2B C14B C15B . . . . 97.3(7) ?
C13B As2B C14B C15B . . . . -157.5(7) ?
Ru2B As2B C14B C15B . . . . -26.6(8) ?
C19B C14B C15B C16B . . . . 1.6(14) ?
As2B C14B C15B C16B . . . . -171.1(7) ?
C14B C15B C16B C17B . . . . -3.0(15) ?
C15B C16B C17B C18B . . . . 2.1(14) ?
C15B C14B C19B C18B . . . . 0.7(13) ?
As2B C14B C19B C18B . . . . 173.1(6) ?
C14B C19B C18B C17B . . . . -1.6(13) ?
C16B C17B C18B C19B . . . . 0.1(14) ?
C13B As2B C20B C21B . . . . 164.8(7) ?
C14B As2B C20B C21B . . . . -88.9(7) ?
Ru2B As2B C20B C21B . . . . 39.4(7) ?
C13B As2B C20B C25B . . . . -21.0(8) ?
C14B As2B C20B C25B . . . . 85.4(8) ?
Ru2B As2B C20B C25B . . . . -146.4(7) ?
C25B C20B C21B C22B . . . . 0.2(13) ?
As2B C20B C21B C22B . . . . 174.8(7) ?
C20B C21B C22B C23B . . . . -0.9(14) ?
C21B C22B C23B C24B . . . . 0.9(14) ?
C22B C23B C24B C25B . . . . -0.3(14) ?
C23B C24B C25B C20B . . . . -0.4(14) ?
C21B C20B C25B C24B . . . . 0.4(13) ?
As2B C20B C25B C24B . . . . -173.9(7) ?
P1B O10B C26B C27B . . . . -113.5(9) ?
P1B O10B C26B C31B . . . . 69.0(10) ?
O10B C26B C27B C28B . . . . -176.5(9) ?
C31B C26B C27B C28B . . . . 1.1(15) ?
C26B C27B C28B C29B . . . . -0.3(17) ?
C27B C28B C29B C30B . . . . -0.4(17) ?
C28B C29B C30B C31B . . . . 0.2(16) ?
C29B C30B C31B C26B . . . . 0.7(14) ?
C27B C26B C31B C30B . . . . -1.3(14) ?
O10B C26B C31B C30B . . . . 176.1(8) ?
P1B O11B C32B C37B . . . . -106.0(10) ?
P1B O11B C32B C33B . . . . 76.9(9) ?
C37B C32B C33B C34B . . . . -0.2(13) ?
O11B C32B C33B C34B . . . . 176.9(7) ?
C32B C33B C34B C35B . . . . -0.9(13) ?
C33B C34B C35B C36B . . . . 0.8(14) ?
C34B C35B C36B C37B . . . . 0.4(15) ?
C33B C32B C37B C36B . . . . 1.4(15) ?
O11B C32B C37B C36B . . . . -175.7(9) ?
C35B C36B C37B C32B . . . . -1.5(16) ?
C38C O12B C38B C39B . . . . 99(8) ?
P1B O12B C38B C39B . . . . 80(2) ?
C38C O12B C38B C43B . . . . -82(7) ?
P1B O12B C38B C43B . . . . -100(2) ?
O12B C38B C39B C40B . . . . -177(2) ?
C43B C38B C39B C40B . . . . 3(3) ?
C38B C39B C40B C41B . . . . -3(4) ?
C39B C40B C41B C42B . . . . -7(4) ?
C40B C41B C42B C43B . . . . 16(4) ?
C41B C42B C43B C38B . . . . -15(4) ?
O12B C38B C43B C42B . . . . -174(2) ?
C39B C38B C43B C42B . . . . 6(4) ?
C38B O12B C38C C43C . . . . 103(8) ?
P1B O12B C38C C43C . . . . -93(3) ?
C38B O12B C38C C39C . . . . -79(7) ?
P1B O12B C38C C39C . . . . 85(3) ?
C43C C38C C39C C40C . . . . -19(5) ?
O12B C38C C39C C40C . . . . 163(3) ?
C38C C39C C40C C41C . . . . 23(6) ?
C39C C40C C41C C42C . . . . -19(6) ?
C40C C41C C42C C43C . . . . 10(4) ?
C41C C42C C43C C38C . . . . -6(4) ?
C39C C38C C43C C42C . . . . 10(5) ?
O12B C38C C43C C42C . . . . -172(3) ?
