#------------------------------------------------------------------------------
#$Date: 2016-02-20 21:30:07 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/44/2224439.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_2224439
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
'[μ-Bis(diphenylphosphino)methane-1:2κ²P:P']nonacarbonyl-1κ³C,2κ³C,3κ³C-[tris(4-methylphenyl)arsine-3κAs]-triangulo-triruthenium(0)'
_journal_coeditor_code           SJ2670
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1622
_journal_page_last               m1623
_journal_paper_doi               10.1107/S1600536809046704
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ru3 (C21 H21 As) (C25 H22 P2) (C O)9]'
_chemical_formula_moiety         'C55 H43 As O9 P2 Ru3'
_chemical_formula_sum            'C55 H43 As O9 P2 Ru3'
_chemical_formula_weight         1287.96
_chemical_name_systematic
;
[μ-Bis(diphenylphosphino)methane-1:2κ²P:P']nonacarbonyl-
1κ³C,2κ³C,3κ³C-[tris(4-
methylphenyl)arsine-3κAs]-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                91.4060(10)
_cell_angle_beta                 101.1160(10)
_cell_angle_gamma                102.4730(10)
_cell_formula_units_Z            2
_cell_length_a                   11.12410(10)
_cell_length_b                   12.1660(2)
_cell_length_c                   20.0895(3)
_cell_measurement_reflns_used    9275
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.99
_cell_measurement_theta_min      2.38
_cell_volume                     2598.63(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector
;
_diffrn_measurement_method       'φ and ω'
_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  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            104298
_diffrn_reflns_theta_full        36.22
_diffrn_reflns_theta_max         36.22
_diffrn_reflns_theta_min         1.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.609
_exptl_absorpt_correction_T_max  0.9068
_exptl_absorpt_correction_T_min  0.6525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.407
_refine_diff_density_min         -1.338
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         24677
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0365
_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)+(0.0322P)²+3.0613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                19683
_reflns_number_total             24677
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2670.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2224439
_cod_database_fobs_code          2224439
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 -0.092501(13) 0.023179(12) 0.225967(7) 0.01420(3) Uani d . 1 . .
Ru Ru2 -0.184055(13) 0.120663(12) 0.329974(7) 0.01335(3) Uani d . 1 . .
Ru Ru3 -0.006333(14) 0.260591(12) 0.267982(7) 0.01472(3) Uani d . 1 . .
As As1 0.174870(18) 0.346910(16) 0.217792(10) 0.01513(4) Uani d . 1 . .
P P1 -0.14945(4) -0.15583(4) 0.26340(2) 0.01517(8) Uani d . 1 . .
P P2 -0.32726(4) -0.04886(4) 0.33226(2) 0.01405(8) Uani d . 1 . .
O O1 -0.35304(14) 0.02944(13) 0.14079(7) 0.0228(3) Uani d . 1 . .
O O2 -0.01281(17) -0.06563(15) 0.10257(8) 0.0307(4) Uani d . 1 . .
O O3 0.18160(14) 0.06485(14) 0.30313(8) 0.0233(3) Uani d . 1 . .
O O4 0.01850(14) 0.02577(14) 0.42259(8) 0.0251(3) Uani d . 1 . .
O O5 -0.22301(17) 0.26804(15) 0.44509(8) 0.0322(4) Uani d . 1 . .
O O6 -0.36138(14) 0.23945(13) 0.23654(8) 0.0244(3) Uani d . 1 . .
O O7 0.16295(16) 0.27361(15) 0.41018(8) 0.0313(4) Uani d . 1 . .
O O8 -0.09867(17) 0.45777(14) 0.31728(9) 0.0318(4) Uani d . 1 . .
O O9 -0.17955(16) 0.26067(15) 0.12914(8) 0.0285(3) Uani d . 1 . .
C C1 -0.01915(18) -0.21580(16) 0.30540(10) 0.0184(3) Uani d . 1 . .
C C2 0.0805(2) -0.21172(19) 0.27234(12) 0.0241(4) Uani d . 1 . .
H H2A 0.0810 -0.1756 0.2321 0.029 Uiso calc R 1 . .
C C3 0.1795(2) -0.2612(2) 0.29890(13) 0.0279(4) Uani d . 1 . .
H H3A 0.2453 -0.2584 0.2762 0.033 Uiso calc R 1 . .
C C4 0.1805(2) -0.3145(2) 0.35887(12) 0.0277(4) Uani d . 1 . .
H H4A 0.2462 -0.3484 0.3761 0.033 Uiso calc R 1 . .
C C5 0.0834(2) -0.3173(2) 0.39312(12) 0.0272(4) Uani d . 1 . .
H H5A 0.0844 -0.3522 0.4338 0.033 Uiso calc R 1 . .
C C6 -0.0160(2) -0.26779(19) 0.36655(11) 0.0239(4) Uani d . 1 . .
H H6A -0.0808 -0.2695 0.3899 0.029 Uiso calc R 1 . .
C C7 -0.23405(18) -0.27244(16) 0.19979(10) 0.0189(3) Uani d . 1 . .
C C8 -0.2579(2) -0.38311(18) 0.22004(12) 0.0256(4) Uani d . 1 . .
H H8A -0.2311 -0.3969 0.2652 0.031 Uiso calc R 1 . .
C C9 -0.3213(3) -0.4723(2) 0.17321(14) 0.0357(5) Uani d . 1 . .
H H9A -0.3373 -0.5455 0.1871 0.043 Uiso calc R 1 . .
C C10 -0.3608(3) -0.4528(2) 0.10588(15) 0.0389(6) Uani d . 1 . .
H H10A -0.4030 -0.5128 0.0746 0.047 Uiso calc R 1 . .
C C11 -0.3375(2) -0.3440(2) 0.08499(13) 0.0323(5) Uani d . 1 . .
H H11A -0.3639 -0.3310 0.0397 0.039 Uiso calc R 1 . .
C C12 -0.2743(2) -0.25394(18) 0.13192(11) 0.0236(4) Uani d . 1 . .
H H12A -0.2590 -0.1809 0.1177 0.028 Uiso calc R 1 . .
C C13 -0.25005(17) -0.16738(16) 0.32744(10) 0.0169(3) Uani d . 1 . .
H H13A -0.3142 -0.2368 0.3169 0.020 Uiso calc R 1 . .
H H13B -0.1990 -0.1724 0.3717 0.020 Uiso calc R 1 . .
C C14 -0.38444(17) -0.07840(16) 0.41085(9) 0.0165(3) Uani d . 1 . .
C C15 -0.29807(19) -0.0528(2) 0.47252(10) 0.0236(4) Uani d . 1 . .
H H15A -0.2149 -0.0177 0.4728 0.028 Uiso calc R 1 . .
C C16 -0.3348(2) -0.0791(2) 0.53344(11) 0.0268(4) Uani d . 1 . .
H H16A -0.2764 -0.0623 0.5742 0.032 Uiso calc R 1 . .
C C17 -0.4591(2) -0.13053(19) 0.53333(11) 0.0248(4) Uani d . 1 . .
H H17A -0.4841 -0.1481 0.5741 0.030 Uiso calc R 1 . .
C C18 -0.5454(2) -0.15564(19) 0.47262(11) 0.0247(4) Uani d . 1 . .
H H18A -0.6286 -0.1899 0.4726 0.030 Uiso calc R 1 . .
C C19 -0.50858(19) -0.12991(17) 0.41136(10) 0.0206(4) Uani d . 1 . .
H H19A -0.5672 -0.1472 0.3707 0.025 Uiso calc R 1 . .
C C20 -0.46895(16) -0.08207(16) 0.26597(9) 0.0155(3) Uani d . 1 . .
C C21 -0.54723(17) -0.00499(16) 0.25740(9) 0.0169(3) Uani d . 1 . .
H H21A -0.5280 0.0595 0.2867 0.020 Uiso calc R 1 . .
C C22 -0.65329(18) -0.02445(18) 0.20536(10) 0.0206(4) Uani d . 1 . .
H H22A -0.7048 0.0269 0.2000 0.025 Uiso calc R 1 . .
C C23 -0.68229(19) -0.1205(2) 0.16137(11) 0.0242(4) Uani d . 1 . .
H H23A -0.7524 -0.1328 0.1261 0.029 Uiso calc R 1 . .
C C24 -0.6067(2) -0.19810(19) 0.17000(11) 0.0241(4) Uani d . 1 . .
H H24A -0.6269 -0.2629 0.1409 0.029 Uiso calc R 1 . .
C C25 -0.50038(18) -0.17913(17) 0.22222(10) 0.0196(3) Uani d . 1 . .
H H25A -0.4502 -0.2316 0.2279 0.024 Uiso calc R 1 . .
C C26 0.14521(18) 0.46556(16) 0.15728(10) 0.0175(3) Uani d . 1 . .
C C27 0.0521(2) 0.52311(18) 0.16335(11) 0.0230(4) Uani d . 1 . .
H H27A 0.0087 0.5090 0.1985 0.028 Uiso calc R 1 . .
C C28 0.0236(2) 0.60180(19) 0.11705(11) 0.0257(4) Uani d . 1 . .
H H28A -0.0388 0.6397 0.1218 0.031 Uiso calc R 1 . .
C C29 0.0867(2) 0.62468(17) 0.06387(10) 0.0224(4) Uani d . 1 . .
C C30 0.1811(2) 0.56661(19) 0.05844(11) 0.0253(4) Uani d . 1 . .
H H30A 0.2248 0.5806 0.0233 0.030 Uiso calc R 1 . .
C C31 0.2101(2) 0.48899(18) 0.10459(11) 0.0221(4) Uani d . 1 . .
H H31A 0.2735 0.4520 0.1004 0.027 Uiso calc R 1 . .
C C32 0.32589(17) 0.41783(16) 0.28350(10) 0.0178(3) Uani d . 1 . .
C C33 0.37183(18) 0.53379(17) 0.28934(10) 0.0201(3) Uani d . 1 . .
H H33A 0.3344 0.5787 0.2588 0.024 Uiso calc R 1 . .
C C34 0.4737(2) 0.58329(18) 0.34080(12) 0.0249(4) Uani d . 1 . .
H H34A 0.5024 0.6613 0.3447 0.030 Uiso calc R 1 . .
C C35 0.5331(2) 0.5188(2) 0.38627(12) 0.0282(4) Uani d . 1 . .
C C36 0.4884(2) 0.4020(2) 0.37915(13) 0.0323(5) Uani d . 1 . .
H H36A 0.5283 0.3571 0.4087 0.039 Uiso calc R 1 . .
C C37 0.3853(2) 0.35127(19) 0.32867(12) 0.0271(4) Uani d . 1 . .
H H37A 0.3560 0.2733 0.3250 0.032 Uiso calc R 1 . .
C C38 0.24235(18) 0.25781(16) 0.15858(10) 0.0180(3) Uani d . 1 . .
C C39 0.37055(19) 0.27305(19) 0.16030(11) 0.0228(4) Uani d . 1 . .
H H39A 0.4281 0.3234 0.1930 0.027 Uiso calc R 1 . .
C C40 0.4128(2) 0.2133(2) 0.11325(11) 0.0270(4) Uani d . 1 . .
H H40A 0.4987 0.2243 0.1147 0.032 Uiso calc R 1 . .
C C41 0.3282(2) 0.1367(2) 0.06356(11) 0.0259(4) Uani d . 1 . .
C C42 0.2006(2) 0.12344(19) 0.06198(10) 0.0248(4) Uani d . 1 . .
H H42A 0.1430 0.0737 0.0290 0.030 Uiso calc R 1 . .
C C43 0.1574(2) 0.18324(18) 0.10882(10) 0.0208(4) Uani d . 1 . .
H H43A 0.0715 0.1733 0.1068 0.025 Uiso calc R 1 . .
C C44 0.07788(19) 0.05990(17) 0.27751(10) 0.0193(3) Uani d . 1 . .
C C45 -0.03974(19) -0.02775(18) 0.14906(10) 0.0205(3) Uani d . 1 . .
C C46 -0.25780(19) 0.02840(16) 0.17457(10) 0.0180(3) Uani d . 1 . .
C C47 -0.29468(18) 0.19138(16) 0.26811(9) 0.0173(3) Uani d . 1 . .
C C48 -0.20782(18) 0.21153(18) 0.40222(10) 0.0199(3) Uani d . 1 . .
C C49 -0.05406(18) 0.06182(17) 0.38594(10) 0.0186(3) Uani d . 1 . .
C C50 0.0998(2) 0.26239(17) 0.35718(10) 0.0210(4) Uani d . 1 . .
C C51 -0.05753(19) 0.38722(17) 0.29861(10) 0.0208(4) Uani d . 1 . .
C C52 -0.11750(19) 0.25061(18) 0.18030(10) 0.0208(4) Uani d . 1 . .
C C53 0.0546(3) 0.7065(2) 0.01282(11) 0.0315(5) Uani d . 1 . .
H H53A -0.0010 0.7474 0.0280 0.047 Uiso calc R 1 . .
H H53B 0.0140 0.6662 -0.0301 0.047 Uiso calc R 1 . .
H H53C 0.1301 0.7584 0.0078 0.047 Uiso calc R 1 . .
C C54 0.6437(3) 0.5730(3) 0.44273(15) 0.0442(7) Uani d . 1 . .
H H54A 0.6470 0.6523 0.4484 0.066 Uiso calc R 1 . .
H H54B 0.7203 0.5625 0.4310 0.066 Uiso calc R 1 . .
H H54C 0.6336 0.5386 0.4844 0.066 Uiso calc R 1 . .
C C55 0.3739(3) 0.0679(3) 0.01549(12) 0.0391(6) Uani d . 1 . .
H H55A 0.3033 0.0187 -0.0137 0.059 Uiso calc R 1 . .
H H55B 0.4264 0.0237 0.0408 0.059 Uiso calc R 1 . .
H H55C 0.4215 0.1170 -0.0115 0.059 Uiso calc R 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
C45 Ru1 C44 . . 91.37(8) ?
C45 Ru1 C46 . . 93.46(8) ?
C44 Ru1 C46 . . 165.13(8) ?
C45 Ru1 P1 . . 94.42(6) ?
C44 Ru1 P1 . . 96.98(6) ?
C46 Ru1 P1 . . 96.66(6) ?
C45 Ru1 Ru2 . . 172.35(6) ?
C44 Ru1 Ru2 . . 92.49(6) ?
C46 Ru1 Ru2 . . 81.22(6) ?
P1 Ru1 Ru2 . . 91.664(13) ?
C45 Ru1 Ru3 . . 116.73(6) ?
C44 Ru1 Ru3 . . 67.59(6) ?
C46 Ru1 Ru3 . . 97.73(6) ?
P1 Ru1 Ru3 . . 144.599(14) ?
Ru2 Ru1 Ru3 . . 59.055(5) ?
C48 Ru2 C47 . . 88.44(8) ?
C48 Ru2 C49 . . 94.40(8) ?
C47 Ru2 C49 . . 171.67(8) ?
C48 Ru2 P2 . . 103.24(6) ?
C47 Ru2 P2 . . 97.15(6) ?
C49 Ru2 P2 . . 89.84(6) ?
C48 Ru2 Ru3 . . 105.92(6) ?
C47 Ru2 Ru3 . . 80.25(6) ?
C49 Ru2 Ru3 . . 91.43(6) ?
P2 Ru2 Ru3 . . 150.627(13) ?
C48 Ru2 Ru1 . . 166.17(6) ?
C47 Ru2 Ru1 . . 94.46(6) ?
C49 Ru2 Ru1 . . 80.97(6) ?
P2 Ru2 Ru1 . . 89.842(13) ?
Ru3 Ru2 Ru1 . . 61.448(5) ?
C51 Ru3 C52 . . 92.34(9) ?
C51 Ru3 C50 . . 89.02(9) ?
C52 Ru3 C50 . . 176.73(8) ?
C51 Ru3 As1 . . 102.66(6) ?
C52 Ru3 As1 . . 90.29(6) ?
C50 Ru3 As1 . . 92.32(6) ?
C51 Ru3 Ru2 . . 89.27(6) ?
C52 Ru3 Ru2 . . 95.19(6) ?
C50 Ru3 Ru2 . . 81.84(6) ?
As1 Ru3 Ru2 . . 166.672(9) ?
C51 Ru3 Ru1 . . 143.34(6) ?
C52 Ru3 Ru1 . . 73.64(6) ?
C50 Ru3 Ru1 . . 103.55(6) ?
As1 Ru3 Ru1 . . 110.910(8) ?
Ru2 Ru3 Ru1 . . 59.496(5) ?
C32 As1 C38 . . 101.24(8) ?
C32 As1 C26 . . 104.04(8) ?
C38 As1 C26 . . 98.60(8) ?
C32 As1 Ru3 . . 114.70(6) ?
C38 As1 Ru3 . . 121.17(6) ?
C26 As1 Ru3 . . 114.49(6) ?
C1 P1 C7 . . 100.13(9) ?
C1 P1 C13 . . 102.22(9) ?
C7 P1 C13 . . 102.95(9) ?
C1 P1 Ru1 . . 115.63(6) ?
C7 P1 Ru1 . . 118.28(7) ?
C13 P1 Ru1 . . 115.20(6) ?
C20 P2 C14 . . 104.13(8) ?
C20 P2 C13 . . 105.86(9) ?
C14 P2 C13 . . 99.07(9) ?
C20 P2 Ru2 . . 117.91(6) ?
C14 P2 Ru2 . . 117.92(6) ?
C13 P2 Ru2 . . 109.76(6) ?
C2 C1 C6 . . 118.60(18) ?
C2 C1 P1 . . 117.10(15) ?
C6 C1 P1 . . 124.27(15) ?
C1 C2 C3 . . 120.6(2) ?
C1 C2 H2A . . 119.7 ?
C3 C2 H2A . . 119.7 ?
C4 C3 C2 . . 120.3(2) ?
C4 C3 H3A . . 119.8 ?
C2 C3 H3A . . 119.8 ?
C3 C4 C5 . . 119.8(2) ?
C3 C4 H4A . . 120.1 ?
C5 C4 H4A . . 120.1 ?
C4 C5 C6 . . 120.0(2) ?
C4 C5 H5A . . 120.0 ?
C6 C5 H5A . . 120.0 ?
C1 C6 C5 . . 120.7(2) ?
C1 C6 H6A . . 119.7 ?
C5 C6 H6A . . 119.7 ?
C12 C7 C8 . . 118.79(19) ?
C12 C7 P1 . . 121.89(15) ?
C8 C7 P1 . . 119.32(16) ?
C9 C8 C7 . . 120.5(2) ?
C9 C8 H8A . . 119.8 ?
C7 C8 H8A . . 119.8 ?
C10 C9 C8 . . 120.1(2) ?
C10 C9 H9A . . 119.9 ?
C8 C9 H9A . . 119.9 ?
C9 C10 C11 . . 120.1(2) ?
C9 C10 H10A . . 119.9 ?
C11 C10 H10A . . 119.9 ?
C10 C11 C12 . . 120.0(2) ?
C10 C11 H11A . . 120.0 ?
C12 C11 H11A . . 120.0 ?
C7 C12 C11 . . 120.5(2) ?
C7 C12 H12A . . 119.8 ?
C11 C12 H12A . . 119.8 ?
P2 C13 P1 . . 114.18(10) ?
P2 C13 H13A . . 108.7 ?
P1 C13 H13A . . 108.7 ?
P2 C13 H13B . . 108.7 ?
P1 C13 H13B . . 108.7 ?
H13A C13 H13B . . 107.6 ?
C19 C14 C15 . . 118.95(18) ?
C19 C14 P2 . . 122.70(15) ?
C15 C14 P2 . . 118.28(14) ?
C16 C15 C14 . . 120.74(19) ?
C16 C15 H15A . . 119.6 ?
C14 C15 H15A . . 119.6 ?
C15 C16 C17 . . 119.8(2) ?
C15 C16 H16A . . 120.1 ?
C17 C16 H16A . . 120.1 ?
C18 C17 C16 . . 119.91(19) ?
C18 C17 H17A . . 120.0 ?
C16 C17 H17A . . 120.0 ?
C17 C18 C19 . . 120.4(2) ?
C17 C18 H18A . . 119.8 ?
C19 C18 H18A . . 119.8 ?
C14 C19 C18 . . 120.20(19) ?
C14 C19 H19A . . 119.9 ?
C18 C19 H19A . . 119.9 ?
C25 C20 C21 . . 118.95(17) ?
C25 C20 P2 . . 122.50(14) ?
C21 C20 P2 . . 118.52(14) ?
C22 C21 C20 . . 120.43(18) ?
C22 C21 H21A . . 119.8 ?
C20 C21 H21A . . 119.8 ?
C23 C22 C21 . . 120.03(19) ?
C23 C22 H22A . . 120.0 ?
C21 C22 H22A . . 120.0 ?
C24 C23 C22 . . 120.04(19) ?
C24 C23 H23A . . 120.0 ?
C22 C23 H23A . . 120.0 ?
C23 C24 C25 . . 120.16(19) ?
C23 C24 H24A . . 119.9 ?
C25 C24 H24A . . 119.9 ?
C20 C25 C24 . . 120.38(19) ?
C20 C25 H25A . . 119.8 ?
C24 C25 H25A . . 119.8 ?
C27 C26 C31 . . 118.77(18) ?
C27 C26 As1 . . 120.03(15) ?
C31 C26 As1 . . 121.06(15) ?
C26 C27 C28 . . 120.5(2) ?
C26 C27 H27A . . 119.8 ?
C28 C27 H27A . . 119.8 ?
C29 C28 C27 . . 121.2(2) ?
C29 C28 H28A . . 119.4 ?
C27 C28 H28A . . 119.4 ?
C28 C29 C30 . . 117.92(19) ?
C28 C29 C53 . . 121.7(2) ?
C30 C29 C53 . . 120.4(2) ?
C31 C30 C29 . . 120.9(2) ?
C31 C30 H30A . . 119.5 ?
C29 C30 H30A . . 119.5 ?
C30 C31 C26 . . 120.7(2) ?
C30 C31 H31A . . 119.6 ?
C26 C31 H31A . . 119.6 ?
C33 C32 C37 . . 119.16(18) ?
C33 C32 As1 . . 121.50(15) ?
C37 C32 As1 . . 119.23(15) ?
C32 C33 C34 . . 120.27(19) ?
C32 C33 H33A . . 119.9 ?
C34 C33 H33A . . 119.9 ?
C35 C34 C33 . . 121.3(2) ?
C35 C34 H34A . . 119.3 ?
C33 C34 H34A . . 119.3 ?
C34 C35 C36 . . 118.2(2) ?
C34 C35 C54 . . 121.3(2) ?
C36 C35 C54 . . 120.6(2) ?
C37 C36 C35 . . 121.2(2) ?
C37 C36 H36A . . 119.4 ?
C35 C36 H36A . . 119.4 ?
C36 C37 C32 . . 119.8(2) ?
C36 C37 H37A . . 120.1 ?
C32 C37 H37A . . 120.1 ?
C39 C38 C43 . . 119.29(18) ?
C39 C38 As1 . . 122.65(15) ?
C43 C38 As1 . . 117.81(15) ?
C40 C39 C38 . . 120.1(2) ?
C40 C39 H39A . . 119.9 ?
C38 C39 H39A . . 119.9 ?
C39 C40 C41 . . 121.1(2) ?
C39 C40 H40A . . 119.4 ?
C41 C40 H40A . . 119.4 ?
C42 C41 C40 . . 118.1(2) ?
C42 C41 C55 . . 120.8(2) ?
C40 C41 C55 . . 121.0(2) ?
C41 C42 C43 . . 121.2(2) ?
C41 C42 H42A . . 119.4 ?
C43 C42 H42A . . 119.4 ?
C38 C43 C42 . . 120.17(19) ?
C38 C43 H43A . . 119.9 ?
C42 C43 H43A . . 119.9 ?
O3 C44 Ru1 . . 168.27(18) ?
O2 C45 Ru1 . . 175.42(19) ?
O1 C46 Ru1 . . 175.83(17) ?
O6 C47 Ru2 . . 173.52(17) ?
O5 C48 Ru2 . . 178.6(2) ?
O4 C49 Ru2 . . 175.36(17) ?
O7 C50 Ru3 . . 173.88(19) ?
O8 C51 Ru3 . . 173.89(19) ?
O9 C52 Ru3 . . 170.53(19) ?
C29 C53 H53A . . 109.5 ?
C29 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
C29 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
C35 C54 H54A . . 109.5 ?
C35 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C35 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
C41 C55 H55A . . 109.5 ?
C41 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
C41 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C45 . 1.891(2) ?
Ru1 C44 . 1.928(2) ?
Ru1 C46 . 1.942(2) ?
Ru1 P1 . 2.3190(5) ?
Ru1 Ru2 . 2.8338(2) ?
Ru1 Ru3 . 2.8890(2) ?
Ru2 C48 . 1.896(2) ?
Ru2 C47 . 1.9286(19) ?
Ru2 C49 . 1.931(2) ?
Ru2 P2 . 2.3253(5) ?
Ru2 Ru3 . 2.8208(2) ?
Ru3 C51 . 1.883(2) ?
Ru3 C52 . 1.932(2) ?
Ru3 C50 . 1.943(2) ?
Ru3 As1 . 2.4706(2) ?
As1 C32 . 1.9422(19) ?
As1 C38 . 1.9458(19) ?
As1 C26 . 1.9513(19) ?
P1 C1 . 1.8332(19) ?
P1 C7 . 1.844(2) ?
P1 C13 . 1.8503(19) ?
P2 C20 . 1.8193(18) ?
P2 C14 . 1.8283(19) ?
P2 C13 . 1.8402(19) ?
O1 C46 . 1.145(2) ?
O2 C45 . 1.149(2) ?
O3 C44 . 1.157(2) ?
O4 C49 . 1.151(2) ?
O5 C48 . 1.149(3) ?
O6 C47 . 1.148(2) ?
O7 C50 . 1.144(3) ?
O8 C51 . 1.143(3) ?
O9 C52 . 1.147(3) ?
C1 C2 . 1.390(3) ?
C1 C6 . 1.393(3) ?
C2 C3 . 1.391(3) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.381(3) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.383(3) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.395(3) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C12 . 1.391(3) ?
C7 C8 . 1.401(3) ?
C8 C9 . 1.387(3) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.382(4) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.384(4) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.394(3) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 C19 . 1.390(3) ?
C14 C15 . 1.396(3) ?
C15 C16 . 1.386(3) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.388(3) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.381(3) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.392(3) ?
C18 H18A . 0.9300 ?
C19 H19A . 0.9300 ?
C20 C25 . 1.393(3) ?
C20 C21 . 1.404(3) ?
C21 C22 . 1.390(3) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.388(3) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.387(3) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.394(3) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 C27 . 1.391(3) ?
C26 C31 . 1.394(3) ?
C27 C28 . 1.394(3) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.390(3) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.406(3) ?
C29 C53 . 1.494(3) ?
C30 C31 . 1.384(3) ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 C33 . 1.387(3) ?
C32 C37 . 1.397(3) ?
C33 C34 . 1.392(3) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.383(3) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.394(3) ?
C35 C54 . 1.520(3) ?
C36 C37 . 1.393(3) ?
C36 H36A . 0.9300 ?
C37 H37A . 0.9300 ?
C38 C39 . 1.391(3) ?
C38 C43 . 1.392(3) ?
C39 C40 . 1.388(3) ?
C39 H39A . 0.9300 ?
C40 C41 . 1.401(3) ?
C40 H40A . 0.9300 ?
C41 C42 . 1.387(3) ?
C41 C55 . 1.492(3) ?
C42 C43 . 1.392(3) ?
C42 H42A . 0.9300 ?
C43 H43A . 0.9300 ?
C53 H53A . 0.9600 ?
C53 H53B . 0.9600 ?
C53 H53C . 0.9600 ?
C54 H54A . 0.9600 ?
C54 H54B . 0.9600 ?
C54 H54C . 0.9600 ?
C55 H55A . 0.9600 ?
C55 H55B . 0.9600 ?
C55 H55C . 0.9600 ?
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
C16 H16A O3 2_556 0.9300 2.4900 3.377(3) 159.00 yes
C3 H3A Cg1 1_655 0.93 2.93 3.708(3) 142 y
C22 H22A Cg2 1_455 0.93 2.78 3.453(2) 130 y
C53 H53B Cg3 2_565 0.96 2.94 3.801(3) 150 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
C44 Ru1 Ru2 C48 . . . . 36.6(3) ?
C46 Ru1 Ru2 C48 . . . . -129.9(3) ?
P1 Ru1 Ru2 C48 . . . . 133.7(3) ?
Ru3 Ru1 Ru2 C48 . . . . -25.3(3) ?
C44 Ru1 Ru2 C47 . . . . 138.26(8) ?
C46 Ru1 Ru2 C47 . . . . -28.19(8) ?
P1 Ru1 Ru2 C47 . . . . -124.67(6) ?
Ru3 Ru1 Ru2 C47 . . . . 76.36(5) ?
C44 Ru1 Ru2 C49 . . . . -34.71(8) ?
C46 Ru1 Ru2 C49 . . . . 158.83(8) ?
P1 Ru1 Ru2 C49 . . . . 62.35(6) ?
Ru3 Ru1 Ru2 C49 . . . . -96.62(6) ?
C44 Ru1 Ru2 P2 . . . . -124.58(6) ?
C46 Ru1 Ru2 P2 . . . . 68.96(6) ?
P1 Ru1 Ru2 P2 . . . . -27.517(17) ?
Ru3 Ru1 Ru2 P2 . . . . 173.516(13) ?
C44 Ru1 Ru2 Ru3 . . . . 61.90(6) ?
C46 Ru1 Ru2 Ru3 . . . . -104.55(6) ?
P1 Ru1 Ru2 Ru3 . . . . 158.967(13) ?
C48 Ru2 Ru3 C51 . . . . -26.27(9) ?
C47 Ru2 Ru3 C51 . . . . 59.27(8) ?
C49 Ru2 Ru3 C51 . . . . -121.25(9) ?
P2 Ru2 Ru3 C51 . . . . 146.53(7) ?
Ru1 Ru2 Ru3 C51 . . . . 159.84(6) ?
C48 Ru2 Ru3 C52 . . . . -118.55(9) ?
C47 Ru2 Ru3 C52 . . . . -33.01(9) ?
C49 Ru2 Ru3 C52 . . . . 146.47(9) ?
P2 Ru2 Ru3 C52 . . . . 54.24(7) ?
Ru1 Ru2 Ru3 C52 . . . . 67.55(6) ?
C48 Ru2 Ru3 C50 . . . . 62.84(9) ?
C47 Ru2 Ru3 C50 . . . . 148.38(9) ?
C49 Ru2 Ru3 C50 . . . . -32.14(9) ?
P2 Ru2 Ru3 C50 . . . . -124.36(7) ?
Ru1 Ru2 Ru3 C50 . . . . -111.05(6) ?
C48 Ru2 Ru3 As1 . . . . 127.52(7) ?
C47 Ru2 Ru3 As1 . . . . -146.94(7) ?
C49 Ru2 Ru3 As1 . . . . 32.54(7) ?
P2 Ru2 Ru3 As1 . . . . -59.69(5) ?
Ru1 Ru2 Ru3 As1 . . . . -46.38(3) ?
C48 Ru2 Ru3 Ru1 . . . . 173.90(6) ?
C47 Ru2 Ru3 Ru1 . . . . -100.56(6) ?
C49 Ru2 Ru3 Ru1 . . . . 78.91(6) ?
P2 Ru2 Ru3 Ru1 . . . . -13.31(3) ?
C45 Ru1 Ru3 C51 . . . . 137.45(12) ?
C44 Ru1 Ru3 C51 . . . . -142.84(12) ?
C46 Ru1 Ru3 C51 . . . . 39.61(12) ?
P1 Ru1 Ru3 C51 . . . . -73.53(11) ?
Ru2 Ru1 Ru3 C51 . . . . -35.26(10) ?
C45 Ru1 Ru3 C52 . . . . 66.31(9) ?
C44 Ru1 Ru3 C52 . . . . 146.02(9) ?
C46 Ru1 Ru3 C52 . . . . -31.53(8) ?
P1 Ru1 Ru3 C52 . . . . -144.67(7) ?
Ru2 Ru1 Ru3 C52 . . . . -106.40(6) ?
C45 Ru1 Ru3 C50 . . . . -115.43(9) ?
C44 Ru1 Ru3 C50 . . . . -35.72(9) ?
C46 Ru1 Ru3 C50 . . . . 146.72(8) ?
P1 Ru1 Ru3 C50 . . . . 33.59(7) ?
Ru2 Ru1 Ru3 C50 . . . . 71.85(6) ?
C45 Ru1 Ru3 As1 . . . . -17.57(7) ?
C44 Ru1 Ru3 As1 . . . . 62.13(6) ?
C46 Ru1 Ru3 As1 . . . . -115.42(6) ?
P1 Ru1 Ru3 As1 . . . . 131.45(2) ?
Ru2 Ru1 Ru3 As1 . . . . 169.709(9) ?
C45 Ru1 Ru3 Ru2 . . . . 172.72(7) ?
C44 Ru1 Ru3 Ru2 . . . . -107.58(6) ?
C46 Ru1 Ru3 Ru2 . . . . 74.87(6) ?
P1 Ru1 Ru3 Ru2 . . . . -38.26(2) ?
C51 Ru3 As1 C32 . . . . 72.96(9) ?
C52 Ru3 As1 C32 . . . . 165.42(9) ?
C50 Ru3 As1 C32 . . . . -16.55(9) ?
Ru2 Ru3 As1 C32 . . . . -80.12(7) ?
Ru1 Ru3 As1 C32 . . . . -122.01(7) ?
C51 Ru3 As1 C38 . . . . -165.10(9) ?
C52 Ru3 As1 C38 . . . . -72.64(9) ?
C50 Ru3 As1 C38 . . . . 105.38(9) ?
Ru2 Ru3 As1 C38 . . . . 41.81(8) ?
Ru1 Ru3 As1 C38 . . . . -0.08(7) ?
C51 Ru3 As1 C26 . . . . -47.24(9) ?
C52 Ru3 As1 C26 . . . . 45.23(9) ?
C50 Ru3 As1 C26 . . . . -136.75(9) ?
Ru2 Ru3 As1 C26 . . . . 159.68(7) ?
Ru1 Ru3 As1 C26 . . . . 117.79(6) ?
C45 Ru1 P1 C1 . . . . 76.59(10) ?
C44 Ru1 P1 C1 . . . . -15.33(9) ?
C46 Ru1 P1 C1 . . . . 170.60(9) ?
Ru2 Ru1 P1 C1 . . . . -108.04(7) ?
Ru3 Ru1 P1 C1 . . . . -75.95(8) ?
C45 Ru1 P1 C7 . . . . -42.07(9) ?
C44 Ru1 P1 C7 . . . . -134.00(9) ?
C46 Ru1 P1 C7 . . . . 51.94(9) ?
Ru2 Ru1 P1 C7 . . . . 133.29(7) ?
Ru3 Ru1 P1 C7 . . . . 165.39(7) ?
C45 Ru1 P1 C13 . . . . -164.38(9) ?
C44 Ru1 P1 C13 . . . . 103.69(9) ?
C46 Ru1 P1 C13 . . . . -70.37(9) ?
Ru2 Ru1 P1 C13 . . . . 10.98(7) ?
Ru3 Ru1 P1 C13 . . . . 43.08(7) ?
C48 Ru2 P2 C20 . . . . 105.96(9) ?
C47 Ru2 P2 C20 . . . . 15.89(9) ?
C49 Ru2 P2 C20 . . . . -159.56(9) ?
Ru3 Ru2 P2 C20 . . . . -66.91(8) ?
Ru1 Ru2 P2 C20 . . . . -78.58(7) ?
C48 Ru2 P2 C14 . . . . -20.44(9) ?
C47 Ru2 P2 C14 . . . . -110.51(9) ?
C49 Ru2 P2 C14 . . . . 74.04(9) ?
Ru3 Ru2 P2 C14 . . . . 166.69(7) ?
Ru1 Ru2 P2 C14 . . . . 155.02(7) ?
C48 Ru2 P2 C13 . . . . -132.77(9) ?
C47 Ru2 P2 C13 . . . . 137.16(9) ?
C49 Ru2 P2 C13 . . . . -38.29(9) ?
Ru3 Ru2 P2 C13 . . . . 54.35(7) ?
Ru1 Ru2 P2 C13 . . . . 42.68(7) ?
C7 P1 C1 C2 . . . . 79.20(18) ?
C13 P1 C1 C2 . . . . -175.04(16) ?
Ru1 P1 C1 C2 . . . . -49.09(18) ?
C7 P1 C1 C6 . . . . -98.64(19) ?
C13 P1 C1 C6 . . . . 7.1(2) ?
Ru1 P1 C1 C6 . . . . 133.08(17) ?
C6 C1 C2 C3 . . . . 1.7(3) ?
P1 C1 C2 C3 . . . . -176.25(18) ?
C1 C2 C3 C4 . . . . -0.5(4) ?
C2 C3 C4 C5 . . . . -0.9(4) ?
C3 C4 C5 C6 . . . . 0.9(4) ?
C2 C1 C6 C5 . . . . -1.7(3) ?
P1 C1 C6 C5 . . . . 176.15(17) ?
C4 C5 C6 C1 . . . . 0.4(3) ?
C1 P1 C7 C12 . . . . -132.65(18) ?
C13 P1 C7 C12 . . . . 122.18(18) ?
Ru1 P1 C7 C12 . . . . -6.1(2) ?
C1 P1 C7 C8 . . . . 46.89(18) ?
C13 P1 C7 C8 . . . . -58.28(18) ?
Ru1 P1 C7 C8 . . . . 173.41(14) ?
C12 C7 C8 C9 . . . . -0.4(3) ?
P1 C7 C8 C9 . . . . -179.98(19) ?
C7 C8 C9 C10 . . . . 0.5(4) ?
C8 C9 C10 C11 . . . . -0.2(4) ?
C9 C10 C11 C12 . . . . -0.1(4) ?
C8 C7 C12 C11 . . . . 0.1(3) ?
P1 C7 C12 C11 . . . . 179.64(18) ?
C10 C11 C12 C7 . . . . 0.2(4) ?
C20 P2 C13 P1 . . . . 84.11(11) ?
C14 P2 C13 P1 . . . . -168.29(10) ?
Ru2 P2 C13 P1 . . . . -44.14(11) ?
C1 P1 C13 P2 . . . . 143.73(10) ?
C7 P1 C13 P2 . . . . -112.71(11) ?
Ru1 P1 C13 P2 . . . . 17.50(12) ?
C20 P2 C14 C19 . . . . 7.93(19) ?
C13 P2 C14 C19 . . . . -101.07(18) ?
Ru2 P2 C14 C19 . . . . 140.75(15) ?
C20 P2 C14 C15 . . . . -175.16(17) ?
C13 P2 C14 C15 . . . . 75.84(18) ?
Ru2 P2 C14 C15 . . . . -42.34(19) ?
C19 C14 C15 C16 . . . . 0.6(3) ?
P2 C14 C15 C16 . . . . -176.45(18) ?
C14 C15 C16 C17 . . . . -0.6(4) ?
C15 C16 C17 C18 . . . . 0.2(4) ?
C16 C17 C18 C19 . . . . 0.2(3) ?
C15 C14 C19 C18 . . . . -0.2(3) ?
P2 C14 C19 C18 . . . . 176.67(16) ?
C17 C18 C19 C14 . . . . -0.1(3) ?
C14 P2 C20 C25 . . . . -105.57(17) ?
C13 P2 C20 C25 . . . . -1.66(18) ?
Ru2 P2 C20 C25 . . . . 121.60(15) ?
C14 P2 C20 C21 . . . . 76.48(16) ?
C13 P2 C20 C21 . . . . -179.60(14) ?
Ru2 P2 C20 C21 . . . . -56.35(16) ?
C25 C20 C21 C22 . . . . -1.0(3) ?
P2 C20 C21 C22 . . . . 177.00(15) ?
C20 C21 C22 C23 . . . . -0.1(3) ?
C21 C22 C23 C24 . . . . 1.1(3) ?
C22 C23 C24 C25 . . . . -0.9(3) ?
C21 C20 C25 C24 . . . . 1.2(3) ?
P2 C20 C25 C24 . . . . -176.75(16) ?
C23 C24 C25 C20 . . . . -0.2(3) ?
C32 As1 C26 C27 . . . . -102.95(17) ?
C38 As1 C26 C27 . . . . 153.10(17) ?
Ru3 As1 C26 C27 . . . . 23.01(18) ?
C32 As1 C26 C31 . . . . 81.46(17) ?
C38 As1 C26 C31 . . . . -22.49(18) ?
Ru3 As1 C26 C31 . . . . -152.58(15) ?
C31 C26 C27 C28 . . . . 0.7(3) ?
As1 C26 C27 C28 . . . . -174.99(17) ?
C26 C27 C28 C29 . . . . 0.1(3) ?
C27 C28 C29 C30 . . . . -0.5(3) ?
C27 C28 C29 C53 . . . . 178.3(2) ?
C28 C29 C30 C31 . . . . 0.1(3) ?
C53 C29 C30 C31 . . . . -178.7(2) ?
C29 C30 C31 C26 . . . . 0.7(3) ?
C27 C26 C31 C30 . . . . -1.1(3) ?
As1 C26 C31 C30 . . . . 174.55(16) ?
C38 As1 C32 C33 . . . . 115.60(17) ?
C26 As1 C32 C33 . . . . 13.66(18) ?
Ru3 As1 C32 C33 . . . . -112.16(15) ?
C38 As1 C32 C37 . . . . -68.31(18) ?
C26 As1 C32 C37 . . . . -170.24(17) ?
Ru3 As1 C32 C37 . . . . 63.93(18) ?
C37 C32 C33 C34 . . . . -1.8(3) ?
As1 C32 C33 C34 . . . . 174.32(16) ?
C32 C33 C34 C35 . . . . 1.3(3) ?
C33 C34 C35 C36 . . . . 0.3(4) ?
C33 C34 C35 C54 . . . . -179.6(2) ?
C34 C35 C36 C37 . . . . -1.4(4) ?
C54 C35 C36 C37 . . . . 178.5(3) ?
C35 C36 C37 C32 . . . . 0.9(4) ?
C33 C32 C37 C36 . . . . 0.7(3) ?
As1 C32 C37 C36 . . . . -175.50(19) ?
C32 As1 C38 C39 . . . . -13.32(19) ?
C26 As1 C38 C39 . . . . 92.96(18) ?
Ru3 As1 C38 C39 . . . . -141.50(15) ?
C32 As1 C38 C43 . . . . 172.46(15) ?
C26 As1 C38 C43 . . . . -81.27(16) ?
Ru3 As1 C38 C43 . . . . 44.27(17) ?
C43 C38 C39 C40 . . . . -0.8(3) ?
As1 C38 C39 C40 . . . . -174.90(17) ?
C38 C39 C40 C41 . . . . -0.2(3) ?
C39 C40 C41 C42 . . . . 1.0(3) ?
C39 C40 C41 C55 . . . . -176.6(2) ?
C40 C41 C42 C43 . . . . -0.8(3) ?
C55 C41 C42 C43 . . . . 176.8(2) ?
C39 C38 C43 C42 . . . . 0.9(3) ?
As1 C38 C43 C42 . . . . 175.37(16) ?
C41 C42 C43 C38 . . . . -0.2(3) ?
C45 Ru1 C44 O3 . . . . -40.5(9) ?
C46 Ru1 C44 O3 . . . . -149.5(7) ?
P1 Ru1 C44 O3 . . . . 54.1(9) ?
Ru2 Ru1 C44 O3 . . . . 146.1(9) ?
Ru3 Ru1 C44 O3 . . . . -159.0(9) ?
