#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/92/2229231.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_2229231
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Sirat, Siti Syaida'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
;
 [μ-Bis(diphenylphosphanyl)ethane-1:2κ²P:P']nonacarbonyl-1κ³C,2κ³C,3κ³C-(triphenylstibine-3κSb)-triangulo-triruthenium(0)
;
_journal_coeditor_code           SJ5087
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m177
_journal_page_last               m178
_journal_paper_doi               10.1107/S1600536810054218
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ru3 (C26 H24 P2) (C18 H15 Sb) (C O)9]'
_chemical_formula_moiety         'C53 H39 O9 P2 Ru3 Sb'
_chemical_formula_sum            'C53 H39 O9 P2 Ru3 Sb'
_chemical_formula_weight         1306.74
_chemical_name_systematic
;[μ-Bis(diphenylphosphanyl)ethane-1:2κ²P:P']nonacarbonyl-
1κ³C,2κ³C,3κ³C-
(triphenylstibine-3κSb)-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                113.2330(10)
_cell_angle_beta                 97.9860(10)
_cell_angle_gamma                97.3390(10)
_cell_formula_units_Z            4
_cell_length_a                   15.1589(8)
_cell_length_b                   18.6156(10)
_cell_length_c                   20.0398(11)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      32.55
_cell_measurement_theta_min      2.61
_cell_volume                     5041.5(5)
_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
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEXII DUO 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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            82542
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.530
_exptl_absorpt_correction_T_max  0.8848
_exptl_absorpt_correction_T_min  0.5062
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.469
_refine_diff_density_min         -2.343
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1225
_refine_ls_number_reflns         28970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0445
_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)+(0.0352P)²+25.1520P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1212
_reflns_number_gt                21778
_reflns_number_total             28970
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj5087.cif
_cod_data_source_block           I
_cod_database_code               2229231
_cod_database_fobs_code          2229231
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
Sb Sb1A -0.061486(19) 0.701152(17) 0.978302(16) 0.02093(6) Uani d . 1 . .
Ru Ru1A 0.21003(2) 0.819388(19) 1.014099(18) 0.01705(7) Uani d . 1 . .
Ru Ru2A 0.27903(2) 0.67570(2) 0.955200(18) 0.01778(7) Uani d . 1 . .
Ru Ru3A 0.09780(2) 0.66624(2) 0.973168(18) 0.01816(7) Uani d . 1 . .
P P1A 0.32886(8) 0.91401(6) 1.01639(6) 0.0191(2) Uani d . 1 . .
P P2A 0.43433(7) 0.72287(7) 0.97737(6) 0.0196(2) Uani d . 1 . .
O O1A 0.1010(2) 0.8075(2) 0.8671(2) 0.0351(8) Uani d . 1 . .
O O2A 0.0940(2) 0.9232(2) 1.1051(2) 0.0333(8) Uani d . 1 . .
O O3A 0.3215(3) 0.8307(2) 1.15895(19) 0.0348(8) Uani d . 1 . .
O O4A 0.3109(3) 0.6504(3) 1.0984(2) 0.0448(10) Uani d . 1 . .
O O5A 0.2593(3) 0.4989(2) 0.8596(3) 0.0493(11) Uani d . 1 . .
O O6A 0.2524(2) 0.7124(2) 0.81825(19) 0.0318(8) Uani d . 1 . .
O O7A 0.0570(3) 0.6188(2) 0.8050(2) 0.0382(9) Uani d . 1 . .
O O8A 0.0677(3) 0.4919(2) 0.9450(2) 0.0409(9) Uani d . 1 . .
O O9A 0.1349(3) 0.7158(2) 1.1413(2) 0.0375(8) Uani d . 1 . .
C C1A 0.3020(3) 0.9671(3) 0.9585(2) 0.0224(8) Uani d . 1 . .
C C2A 0.2874(4) 0.9255(3) 0.8817(3) 0.0299(10) Uani d . 1 . .
H H2AA 0.2923 0.8722 0.8610 0.036 Uiso calc R 1 . .
C C3A 0.2655(4) 0.9632(4) 0.8352(3) 0.0402(13) Uani d . 1 . .
H H3AA 0.2558 0.9350 0.7840 0.048 Uiso calc R 1 . .
C C4A 0.2585(4) 1.0422(4) 0.8656(3) 0.0421(13) Uani d . 1 . .
H H4AA 0.2449 1.0675 0.8348 0.051 Uiso calc R 1 . .
C C5A 0.2714(4) 1.0842(3) 0.9420(3) 0.0377(12) Uani d . 1 . .
H H5AA 0.2655 1.1372 0.9624 0.045 Uiso calc R 1 . .
C C6A 0.2934(3) 1.0465(3) 0.9879(3) 0.0314(10) Uani d . 1 . .
H H6AA 0.3024 1.0748 1.0391 0.038 Uiso calc R 1 . .
C C7A 0.3792(3) 0.9948(3) 1.1076(2) 0.0229(8) Uani d . 1 . .
C C8A 0.3235(4) 1.0310(3) 1.1547(3) 0.0338(11) Uani d . 1 . .
H H8AA 0.2610 1.0119 1.1399 0.041 Uiso calc R 1 . .
C C9A 0.3581(4) 1.0945(3) 1.2230(3) 0.0397(13) Uani d . 1 . .
H H9AA 0.3189 1.1181 1.2529 0.048 Uiso calc R 1 . .
C C10A 0.4501(4) 1.1227(3) 1.2466(3) 0.0388(12) Uani d . 1 . .
H H10A 0.4735 1.1657 1.2923 0.047 Uiso calc R 1 . .
C C11A 0.5076(4) 1.0868(3) 1.2017(3) 0.0376(12) Uani d . 1 . .
H H11A 0.5701 1.1050 1.2180 0.045 Uiso calc R 1 . .
C C12A 0.4734(3) 1.0240(3) 1.1330(3) 0.0299(10) Uani d . 1 . .
H H12A 0.5131 1.0009 1.1033 0.036 Uiso calc R 1 . .
C C13A 0.4276(3) 0.8756(3) 0.9828(2) 0.0227(8) Uani d . 1 . .
H H13A 0.4087 0.8390 0.9308 0.027 Uiso calc R 1 . .
H H13B 0.4729 0.9197 0.9869 0.027 Uiso calc R 1 . .
C C14A 0.4710(3) 0.8320(3) 1.0261(2) 0.0237(9) Uani d . 1 . .
H H14A 0.4548 0.8500 1.0745 0.028 Uiso calc R 1 . .
H H14B 0.5367 0.8459 1.0339 0.028 Uiso calc R 1 . .
C C15A 0.4848(3) 0.6985(3) 0.8949(2) 0.0229(8) Uani d . 1 . .
C C16A 0.4413(3) 0.6350(3) 0.8281(3) 0.0305(10) Uani d . 1 . .
H H16A 0.3863 0.6044 0.8255 0.037 Uiso calc R 1 . .
C C17A 0.4782(4) 0.6165(4) 0.7650(3) 0.0387(13) Uani d . 1 . .
H H17A 0.4489 0.5729 0.7212 0.046 Uiso calc R 1 . .
C C18A 0.5570(4) 0.6619(4) 0.7672(3) 0.0425(14) Uani d . 1 . .
H H18A 0.5808 0.6501 0.7246 0.051 Uiso calc R 1 . .
C C19A 0.6022(4) 0.7259(4) 0.8329(4) 0.0453(15) Uani d . 1 . .
H H19A 0.6562 0.7569 0.8344 0.054 Uiso calc R 1 . .
C C20A 0.5664(4) 0.7436(3) 0.8968(3) 0.0377(12) Uani d . 1 . .
H H20A 0.5975 0.7858 0.9411 0.045 Uiso calc R 1 . .
C C21A 0.5025(3) 0.6893(3) 1.0373(3) 0.0254(9) Uani d . 1 . .
C C22A 0.5174(5) 0.7281(4) 1.1142(3) 0.057(2) Uani d . 1 . .
H H22A 0.4983 0.7760 1.1361 0.069 Uiso calc R 1 . .
C C23A 0.5599(6) 0.6968(5) 1.1585(4) 0.065(2) Uani d . 1 . .
H H23A 0.5673 0.7232 1.2098 0.078 Uiso calc R 1 . .
C C24A 0.5911(4) 0.6284(4) 1.1292(4) 0.0468(15) Uani d . 1 . .
H H24A 0.6210 0.6082 1.1597 0.056 Uiso calc R 1 . .
C C25A 0.5776(5) 0.5894(4) 1.0532(4) 0.0549(18) Uani d . 1 . .
H H25A 0.5980 0.5420 1.0320 0.066 Uiso calc R 1 . .
C C26A 0.5344(5) 0.6194(4) 1.0083(3) 0.0478(16) Uani d . 1 . .
H H26A 0.5264 0.5921 0.9570 0.057 Uiso calc R 1 . .
C C27A -0.0963(3) 0.7794(3) 0.9286(3) 0.0244(9) Uani d . 1 . .
C C28A -0.1235(4) 0.7446(3) 0.8524(3) 0.0325(10) Uani d . 1 . .
H H28A -0.1323 0.6894 0.8272 0.039 Uiso calc R 1 . .
C C29A -0.1381(4) 0.7898(4) 0.8122(3) 0.0385(12) Uani d . 1 . .
H H29A -0.1561 0.7650 0.7607 0.046 Uiso calc R 1 . .
C C30A -0.1256(4) 0.8714(4) 0.8493(3) 0.0399(13) Uani d . 1 . .
H H30A -0.1354 0.9022 0.8231 0.048 Uiso calc R 1 . .
C C31A -0.0984(5) 0.9073(4) 0.9262(4) 0.0467(15) Uani d . 1 . .
H H31A -0.0896 0.9624 0.9513 0.056 Uiso calc R 1 . .
C C32A -0.0842(4) 0.8617(3) 0.9658(3) 0.0348(11) Uani d . 1 . .
H H32A -0.0665 0.8863 1.0173 0.042 Uiso calc R 1 . .
C C33A -0.1068(3) 0.7415(3) 1.0806(3) 0.0264(9) Uani d . 1 . .
C C34A -0.0888(4) 0.8221(3) 1.1319(3) 0.0374(12) Uani d . 1 . .
H H34A -0.0580 0.8611 1.1208 0.045 Uiso calc R 1 . .
C C35A -0.1168(4) 0.8437(3) 1.1990(3) 0.0396(12) Uani d . 1 . .
H H35A -0.1057 0.8971 1.2323 0.048 Uiso calc R 1 . .
C C36A -0.1614(4) 0.7854(4) 1.2163(3) 0.0440(14) Uani d . 1 . .
H H36A -0.1833 0.7997 1.2599 0.053 Uiso calc R 1 . .
C C37A -0.1725(5) 0.7078(4) 1.1692(3) 0.0508(17) Uani d . 1 . .
H H37A -0.1978 0.6684 1.1826 0.061 Uiso calc R 1 . .
C C38A -0.1467(5) 0.6859(3) 1.1008(3) 0.0467(15) Uani d . 1 . .
H H38A -0.1571 0.6322 1.0685 0.056 Uiso calc R 1 . .
C C39A -0.1726(3) 0.6039(3) 0.9140(3) 0.0265(9) Uani d . 1 . .
C C40A -0.1574(3) 0.5277(3) 0.8797(3) 0.0324(11) Uani d . 1 . .
H H40A -0.0982 0.5189 0.8828 0.039 Uiso calc R 1 . .
C C41A -0.2300(4) 0.4641(3) 0.8404(3) 0.0388(12) Uani d . 1 . .
H H41A -0.2197 0.4126 0.8178 0.047 Uiso calc R 1 . .
C C42A -0.3179(4) 0.4777(3) 0.8351(3) 0.0349(11) Uani d . 1 . .
H H42A -0.3668 0.4351 0.8094 0.042 Uiso calc R 1 . .
C C43A -0.3330(3) 0.5543(3) 0.8678(3) 0.0368(12) Uani d . 1 . .
H H43A -0.3919 0.5634 0.8629 0.044 Uiso calc R 1 . .
C C44A -0.2608(3) 0.6175(3) 0.9078(3) 0.0349(11) Uani d . 1 . .
H H44A -0.2712 0.6690 0.9305 0.042 Uiso calc R 1 . .
C C45A 0.2793(3) 0.8205(3) 1.1024(3) 0.0259(9) Uani d . 1 . .
C C46A 0.1361(3) 0.8842(3) 1.0680(2) 0.0226(8) Uani d . 1 . .
C C47A 0.1414(3) 0.8080(3) 0.9201(3) 0.0248(9) Uani d . 1 . .
C C48A 0.2959(3) 0.6618(3) 1.0469(3) 0.0290(10) Uani d . 1 . .
C C49A 0.2688(3) 0.5651(3) 0.8966(3) 0.0300(10) Uani d . 1 . .
C C50A 0.2583(3) 0.7017(3) 0.8714(2) 0.0224(8) Uani d . 1 . .
C C51A 0.0762(3) 0.6387(3) 0.8677(2) 0.0249(9) Uani d . 1 . .
C C52A 0.0763(3) 0.5579(3) 0.9553(3) 0.0267(9) Uani d . 1 . .
C C53A 0.1248(3) 0.6998(3) 1.0792(3) 0.0248(9) Uani d . 1 . .
Sb Sb1B 0.591162(19) 0.322816(17) 0.539002(15) 0.01948(6) Uani d . 1 . .
Ru Ru1B 0.32201(2) 0.19935(2) 0.497165(19) 0.02039(7) Uani d . 1 . .
Ru Ru2B 0.24537(2) 0.33890(2) 0.55496(2) 0.02058(7) Uani d . 1 . .
Ru Ru3B 0.42965(2) 0.35418(2) 0.542128(18) 0.01812(7) Uani d . 1 . .
P P1B 0.21368(9) 0.10411(7) 0.50293(7) 0.0261(2) Uani d . 1 . .
P P2B 0.09114(8) 0.28330(7) 0.52371(7) 0.0242(2) Uani d . 1 . .
O O1B 0.2092(2) 0.1901(2) 0.3535(2) 0.0332(8) Uani d . 1 . .
O O2B 0.4344(3) 0.0905(2) 0.4061(2) 0.0417(9) Uani d . 1 . .
O O3B 0.4351(3) 0.2219(2) 0.6473(2) 0.0361(8) Uani d . 1 . .
O O4B 0.2727(3) 0.2988(2) 0.6902(2) 0.0365(8) Uani d . 1 . .
O O5B 0.2437(3) 0.5110(3) 0.6536(3) 0.0613(14) Uani d . 1 . .
O O6B 0.2258(3) 0.3753(3) 0.4175(3) 0.0490(11) Uani d . 1 . .
O O7B 0.3918(2) 0.2976(2) 0.37254(19) 0.0339(8) Uani d . 1 . .
O O8B 0.4642(3) 0.5285(2) 0.5714(2) 0.0411(9) Uani d . 1 . .
O O9B 0.4645(3) 0.4055(2) 0.7112(2) 0.0364(8) Uani d . 1 . .
C C1B 0.1669(3) 0.0142(3) 0.4166(3) 0.0310(10) Uani d . 1 . .
C C2B 0.1947(3) 0.0015(3) 0.3512(3) 0.0315(10) Uani d . 1 . .
H H2BA 0.2379 0.0408 0.3497 0.038 Uiso calc R 1 . .
C C3B 0.1604(4) -0.0680(3) 0.2873(3) 0.0397(12) Uani d . 1 . .
H H3BA 0.1809 -0.0752 0.2439 0.048 Uiso calc R 1 . .
C C4B 0.0965(4) -0.1258(4) 0.2885(3) 0.0475(15) Uani d . 1 . .
H H4BA 0.0719 -0.1719 0.2454 0.057 Uiso calc R 1 . .
C C5B 0.0682(4) -0.1159(4) 0.3538(4) 0.0485(15) Uani d . 1 . .
H H5BA 0.0253 -0.1558 0.3548 0.058 Uiso calc R 1 . .
C C6B 0.1035(4) -0.0470(3) 0.4175(3) 0.0403(13) Uani d . 1 . .
H H6BA 0.0851 -0.0411 0.4614 0.048 Uiso calc R 1 . .
C C7B 0.2515(4) 0.0621(3) 0.5682(3) 0.0304(10) Uani d . 1 . .
C C8B 0.3394(4) 0.0449(3) 0.5725(3) 0.0384(12) Uani d . 1 . .
H H8BA 0.3764 0.0556 0.5428 0.046 Uiso calc R 1 . .
C C9B 0.3718(5) 0.0124(4) 0.6201(3) 0.0467(15) Uani d . 1 . .
H H9BA 0.4302 0.0018 0.6226 0.056 Uiso calc R 1 . .
C C10B 0.3171(6) -0.0041(4) 0.6639(4) 0.0557(18) Uani d . 1 . .
H H10B 0.3389 -0.0256 0.6962 0.067 Uiso calc R 1 . .
C C11B 0.2304(5) 0.0109(5) 0.6599(4) 0.0569(18) Uani d . 1 . .
H H11B 0.1933 -0.0019 0.6885 0.068 Uiso calc R 1 . .
C C12B 0.1974(5) 0.0454(4) 0.6130(3) 0.0447(14) Uani d . 1 . .
H H12B 0.1395 0.0570 0.6119 0.054 Uiso calc R 1 . .
C C13B 0.1080(4) 0.1364(3) 0.5292(3) 0.0325(11) Uani d . 1 . .
H H13C 0.0655 0.0907 0.5255 0.039 Uiso calc R 1 . .
H H13D 0.1222 0.1753 0.5805 0.039 Uiso calc R 1 . .
C C14B 0.0626(3) 0.1730(3) 0.4805(3) 0.0318(10) Uani d . 1 . .
H H14C -0.0028 0.1556 0.4707 0.038 Uiso calc R 1 . .
H H14D 0.0816 0.1534 0.4332 0.038 Uiso calc R 1 . .
C C15B 0.0242(3) 0.3097(3) 0.4569(3) 0.0284(10) Uani d . 1 . .
C C16B -0.0167(4) 0.3756(3) 0.4824(3) 0.0365(11) Uani d . 1 . .
H H16B -0.0133 0.4030 0.5331 0.044 Uiso calc R 1 . .
C C17B -0.0626(4) 0.4012(4) 0.4335(3) 0.0442(14) Uani d . 1 . .
H H17B -0.0895 0.4454 0.4515 0.053 Uiso calc R 1 . .
C C18B -0.0681(4) 0.3604(4) 0.3581(3) 0.0451(15) Uani d . 1 . .
H H18B -0.0993 0.3768 0.3250 0.054 Uiso calc R 1 . .
C C19B -0.0273(4) 0.2955(4) 0.3321(3) 0.0454(15) Uani d . 1 . .
H H19B -0.0301 0.2687 0.2814 0.054 Uiso calc R 1 . .
C C20B 0.0180(4) 0.2699(4) 0.3809(3) 0.0406(13) Uani d . 1 . .
H H20B 0.0445 0.2255 0.3625 0.049 Uiso calc R 1 . .
C C21B 0.0274(3) 0.3058(3) 0.5985(3) 0.0269(9) Uani d . 1 . .
C C22B 0.0680(4) 0.3562(4) 0.6709(3) 0.0430(14) Uani d . 1 . .
H H22B 0.1290 0.3806 0.6827 0.052 Uiso calc R 1 . .
C C23B 0.0178(5) 0.3708(5) 0.7267(4) 0.059(2) Uani d . 1 . .
H H23B 0.0457 0.4051 0.7755 0.071 Uiso calc R 1 . .
C C24B -0.0712(5) 0.3355(5) 0.7106(4) 0.0568(19) Uani d . 1 . .
H H24B -0.1037 0.3446 0.7483 0.068 Uiso calc R 1 . .
C C25B -0.1140(5) 0.2854(5) 0.6371(4) 0.0548(18) Uani d . 1 . .
H H25B -0.1753 0.2620 0.6256 0.066 Uiso calc R 1 . .
C C26B -0.0646(4) 0.2708(4) 0.5815(3) 0.0400(13) Uani d . 1 . .
H H26B -0.0930 0.2375 0.5326 0.048 Uiso calc R 1 . .
C C27B 0.6993(3) 0.4228(3) 0.6026(2) 0.0227(8) Uani d . 1 . .
C C28B 0.7858(4) 0.4236(3) 0.5888(4) 0.0427(14) Uani d . 1 . .
H H28B 0.7972 0.3809 0.5494 0.051 Uiso calc R 1 . .
C C29B 0.8555(4) 0.4873(3) 0.6331(4) 0.0478(16) Uani d . 1 . .
H H29B 0.9138 0.4867 0.6236 0.057 Uiso calc R 1 . .
C C30B 0.8404(3) 0.5514(3) 0.6907(3) 0.0318(10) Uani d . 1 . .
H H30B 0.8879 0.5940 0.7203 0.038 Uiso calc R 1 . .
C C31B 0.7536(4) 0.5520(3) 0.7043(3) 0.0375(12) Uani d . 1 . .
H H31B 0.7424 0.5954 0.7432 0.045 Uiso calc R 1 . .
C C32B 0.6835(4) 0.4885(3) 0.6605(3) 0.0349(11) Uani d . 1 . .
H H32B 0.6251 0.4896 0.6697 0.042 Uiso calc R 1 . .
C C33B 0.6441(3) 0.2765(3) 0.4407(2) 0.0217(8) Uani d . 1 . .
C C34B 0.6234(3) 0.3025(3) 0.3861(3) 0.0263(9) Uani d . 1 . .
H H34B 0.5800 0.3342 0.3894 0.032 Uiso calc R 1 . .
C C35B 0.6664(4) 0.2822(3) 0.3259(3) 0.0313(10) Uani d . 1 . .
H H35B 0.6512 0.2995 0.2889 0.038 Uiso calc R 1 . .
C C36B 0.7323(3) 0.2358(3) 0.3216(3) 0.0289(10) Uani d . 1 . .
H H36B 0.7621 0.2228 0.2821 0.035 Uiso calc R 1 . .
C C37B 0.7536(3) 0.2093(3) 0.3758(3) 0.0327(11) Uani d . 1 . .
H H37B 0.7972 0.1778 0.3724 0.039 Uiso calc R 1 . .
C C38B 0.7100(3) 0.2292(3) 0.4359(3) 0.0320(11) Uani d . 1 . .
H H38B 0.7247 0.2112 0.4724 0.038 Uiso calc R 1 . .
C C39B 0.6245(3) 0.2472(3) 0.5910(2) 0.0224(8) Uani d . 1 . .
C C40B 0.6090(4) 0.1649(3) 0.5533(3) 0.0318(10) Uani d . 1 . .
H H40B 0.5897 0.1410 0.5019 0.038 Uiso calc R 1 . .
C C41B 0.6220(5) 0.1176(3) 0.5918(3) 0.0429(14) Uani d . 1 . .
H H41B 0.6121 0.0624 0.5661 0.052 Uiso calc R 1 . .
C C42B 0.6495(4) 0.1528(4) 0.6680(3) 0.0420(13) Uani d . 1 . .
H H42B 0.6568 0.1211 0.6937 0.050 Uiso calc R 1 . .
C C43B 0.6664(4) 0.2347(3) 0.7063(3) 0.0345(11) Uani d . 1 . .
H H43B 0.6859 0.2582 0.7577 0.041 Uiso calc R 1 . .
C C44B 0.6541(3) 0.2822(3) 0.6682(3) 0.0272(9) Uani d . 1 . .
H H44B 0.6656 0.3375 0.6941 0.033 Uiso calc R 1 . .
C C45B 0.2505(3) 0.1991(3) 0.4099(3) 0.0248(9) Uani d . 1 . .
C C46B 0.3946(3) 0.1328(3) 0.4428(2) 0.0265(9) Uani d . 1 . .
C C47B 0.3945(3) 0.2181(3) 0.5931(3) 0.0265(9) Uani d . 1 . .
C C48B 0.2661(3) 0.3111(3) 0.6383(3) 0.0269(9) Uani d . 1 . .
C C49B 0.2434(4) 0.4467(3) 0.6153(3) 0.0353(11) Uani d . 1 . .
C C50B 0.2353(3) 0.3600(3) 0.4666(3) 0.0323(11) Uani d . 1 . .
C C51B 0.4029(3) 0.3167(3) 0.4355(3) 0.0246(9) Uani d . 1 . .
C C52B 0.4522(3) 0.4623(3) 0.5594(3) 0.0262(9) Uani d . 1 . .
C C53B 0.4480(3) 0.3832(3) 0.6477(3) 0.0251(9) 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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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
C33A Sb1A C39A . . 98.08(19) ?
C33A Sb1A C27A . . 105.68(17) ?
C39A Sb1A C27A . . 97.20(18) ?
C33A Sb1A Ru3A . . 120.39(13) ?
C39A Sb1A Ru3A . . 115.03(12) ?
C27A Sb1A Ru3A . . 116.63(12) ?
C46A Ru1A C45A . . 92.10(19) ?
C46A Ru1A C47A . . 92.31(19) ?
C45A Ru1A C47A . . 174.59(19) ?
C46A Ru1A P1A . . 101.91(14) ?
C45A Ru1A P1A . . 88.87(15) ?
C47A Ru1A P1A . . 93.28(14) ?
C46A Ru1A Ru2A . . 154.44(13) ?
C45A Ru1A Ru2A . . 78.44(14) ?
C47A Ru1A Ru2A . . 96.26(13) ?
P1A Ru1A Ru2A . . 101.59(3) ?
C46A Ru1A Ru3A . . 98.87(14) ?
C45A Ru1A Ru3A . . 93.91(15) ?
C47A Ru1A Ru3A . . 82.31(14) ?
P1A Ru1A Ru3A . . 158.92(3) ?
Ru2A Ru1A Ru3A . . 58.759(12) ?
C49A Ru2A C50A . . 94.3(2) ?
C49A Ru2A C48A . . 92.3(2) ?
C50A Ru2A C48A . . 172.99(19) ?
C49A Ru2A P2A . . 101.77(15) ?
C50A Ru2A P2A . . 91.35(13) ?
C48A Ru2A P2A . . 89.58(15) ?
C49A Ru2A Ru3A . . 96.33(15) ?
C50A Ru2A Ru3A . . 95.05(13) ?
C48A Ru2A Ru3A . . 81.88(15) ?
P2A Ru2A Ru3A . . 160.28(3) ?
C49A Ru2A Ru1A . . 154.29(15) ?
C50A Ru2A Ru1A . . 77.77(13) ?
C48A Ru2A Ru1A . . 95.24(14) ?
P2A Ru2A Ru1A . . 102.82(3) ?
Ru3A Ru2A Ru1A . . 60.664(11) ?
C52A Ru3A C53A . . 92.0(2) ?
C52A Ru3A C51A . . 91.2(2) ?
C53A Ru3A C51A . . 176.3(2) ?
C52A Ru3A Sb1A . . 103.07(14) ?
C53A Ru3A Sb1A . . 90.78(13) ?
C51A Ru3A Sb1A . . 90.36(14) ?
C52A Ru3A Ru2A . . 95.94(14) ?
C53A Ru3A Ru2A . . 96.45(13) ?
C51A Ru3A Ru2A . . 81.31(13) ?
Sb1A Ru3A Ru2A . . 159.415(17) ?
C52A Ru3A Ru1A . . 154.47(14) ?
C53A Ru3A Ru1A . . 81.75(14) ?
C51A Ru3A Ru1A . . 94.55(14) ?
Sb1A Ru3A Ru1A . . 101.740(14) ?
Ru2A Ru3A Ru1A . . 60.576(12) ?
C7A P1A C1A . . 103.1(2) ?
C7A P1A C13A . . 103.4(2) ?
C1A P1A C13A . . 100.7(2) ?
C7A P1A Ru1A . . 115.41(15) ?
C1A P1A Ru1A . . 116.31(15) ?
C13A P1A Ru1A . . 115.84(15) ?
C21A P2A C15A . . 105.1(2) ?
C21A P2A C14A . . 102.0(2) ?
C15A P2A C14A . . 102.9(2) ?
C21A P2A Ru2A . . 114.15(16) ?
C15A P2A Ru2A . . 115.98(16) ?
C14A P2A Ru2A . . 115.03(15) ?
C6A C1A C2A . . 118.7(4) ?
C6A C1A P1A . . 122.8(4) ?
C2A C1A P1A . . 118.5(4) ?
C1A C2A C3A . . 120.6(5) ?
C1A C2A H2AA . . 119.7 ?
C3A C2A H2AA . . 119.7 ?
C4A C3A C2A . . 119.8(5) ?
C4A C3A H3AA . . 120.1 ?
C2A C3A H3AA . . 120.1 ?
C3A C4A C5A . . 120.4(5) ?
C3A C4A H4AA . . 119.8 ?
C5A C4A H4AA . . 119.8 ?
C4A C5A C6A . . 119.6(5) ?
C4A C5A H5AA . . 120.2 ?
C6A C5A H5AA . . 120.2 ?
C1A C6A C5A . . 121.0(5) ?
C1A C6A H6AA . . 119.5 ?
C5A C6A H6AA . . 119.5 ?
C8A C7A C12A . . 117.1(4) ?
C8A C7A P1A . . 119.9(4) ?
C12A C7A P1A . . 123.0(3) ?
C9A C8A C7A . . 122.0(5) ?
C9A C8A H8AA . . 119.0 ?
C7A C8A H8AA . . 119.0 ?
C10A C9A C8A . . 120.1(5) ?
C10A C9A H9AA . . 119.9 ?
C8A C9A H9AA . . 119.9 ?
C9A C10A C11A . . 119.3(5) ?
C9A C10A H10A . . 120.3 ?
C11A C10A H10A . . 120.3 ?
C12A C11A C10A . . 120.8(5) ?
C12A C11A H11A . . 119.6 ?
C10A C11A H11A . . 119.6 ?
C11A C12A C7A . . 120.6(5) ?
C11A C12A H12A . . 119.7 ?
C7A C12A H12A . . 119.7 ?
C14A C13A P1A . . 113.1(3) ?
C14A C13A H13A . . 109.0 ?
P1A C13A H13A . . 109.0 ?
C14A C13A H13B . . 109.0 ?
P1A C13A H13B . . 109.0 ?
H13A C13A H13B . . 107.8 ?
C13A C14A P2A . . 112.5(3) ?
C13A C14A H14A . . 109.1 ?
P2A C14A H14A . . 109.1 ?
C13A C14A H14B . . 109.1 ?
P2A C14A H14B . . 109.1 ?
H14A C14A H14B . . 107.8 ?
C20A C15A C16A . . 118.0(4) ?
C20A C15A P2A . . 121.3(4) ?
C16A C15A P2A . . 120.7(4) ?
C17A C16A C15A . . 121.3(5) ?
C17A C16A H16A . . 119.4 ?
C15A C16A H16A . . 119.4 ?
C18A C17A C16A . . 120.2(6) ?
C18A C17A H17A . . 119.9 ?
C16A C17A H17A . . 119.9 ?
C17A C18A C19A . . 120.1(5) ?
C17A C18A H18A . . 120.0 ?
C19A C18A H18A . . 120.0 ?
C18A C19A C20A . . 119.9(5) ?
C18A C19A H19A . . 120.0 ?
C20A C19A H19A . . 120.0 ?
C15A C20A C19A . . 120.5(5) ?
C15A C20A H20A . . 119.7 ?
C19A C20A H20A . . 119.7 ?
C26A C21A C22A . . 116.7(5) ?
C26A C21A P2A . . 121.2(4) ?
C22A C21A P2A . . 121.9(4) ?
C23A C22A C21A . . 121.1(6) ?
C23A C22A H22A . . 119.4 ?
C21A C22A H22A . . 119.4 ?
C24A C23A C22A . . 121.5(6) ?
C24A C23A H23A . . 119.3 ?
C22A C23A H23A . . 119.3 ?
C23A C24A C25A . . 118.2(6) ?
C23A C24A H24A . . 120.9 ?
C25A C24A H24A . . 120.9 ?
C26A C25A C24A . . 120.9(6) ?
C26A C25A H25A . . 119.5 ?
C24A C25A H25A . . 119.5 ?
C25A C26A C21A . . 121.5(6) ?
C25A C26A H26A . . 119.2 ?
C21A C26A H26A . . 119.2 ?
C28A C27A C32A . . 118.7(5) ?
C28A C27A Sb1A . . 115.7(4) ?
C32A C27A Sb1A . . 125.2(4) ?
C27A C28A C29A . . 121.8(5) ?
C27A C28A H28A . . 119.1 ?
C29A C28A H28A . . 119.1 ?
C30A C29A C28A . . 119.3(5) ?
C30A C29A H29A . . 120.3 ?
C28A C29A H29A . . 120.3 ?
C29A C30A C31A . . 119.5(5) ?
C29A C30A H30A . . 120.3 ?
C31A C30A H30A . . 120.3 ?
C32A C31A C30A . . 120.8(5) ?
C32A C31A H31A . . 119.6 ?
C30A C31A H31A . . 119.6 ?
C27A C32A C31A . . 119.9(5) ?
C27A C32A H32A . . 120.0 ?
C31A C32A H32A . . 120.0 ?
C38A C33A C34A . . 118.1(5) ?
C38A C33A Sb1A . . 118.1(4) ?
C34A C33A Sb1A . . 123.4(4) ?
C35A C34A C33A . . 120.3(5) ?
C35A C34A H34A . . 119.8 ?
C33A C34A H34A . . 119.8 ?
C34A C35A C36A . . 119.9(5) ?
C34A C35A H35A . . 120.0 ?
C36A C35A H35A . . 120.0 ?
C37A C36A C35A . . 119.4(5) ?
C37A C36A H36A . . 120.3 ?
C35A C36A H36A . . 120.3 ?
C36A C37A C38A . . 120.8(5) ?
C36A C37A H37A . . 119.6 ?
C38A C37A H37A . . 119.6 ?
C33A C38A C37A . . 121.2(5) ?
C33A C38A H38A . . 119.4 ?
C37A C38A H38A . . 119.4 ?
C40A C39A C44A . . 120.0(5) ?
C40A C39A Sb1A . . 120.3(3) ?
C44A C39A Sb1A . . 119.7(4) ?
C39A C40A C41A . . 120.2(5) ?
C39A C40A H40A . . 119.9 ?
C41A C40A H40A . . 119.9 ?
C42A C41A C40A . . 119.8(5) ?
C42A C41A H41A . . 120.1 ?
C40A C41A H41A . . 120.1 ?
C43A C42A C41A . . 120.1(5) ?
C43A C42A H42A . . 120.0 ?
C41A C42A H42A . . 120.0 ?
C42A C43A C44A . . 120.2(5) ?
C42A C43A H43A . . 119.9 ?
C44A C43A H43A . . 119.9 ?
C43A C44A C39A . . 119.8(5) ?
C43A C44A H44A . . 120.1 ?
C39A C44A H44A . . 120.1 ?
O3A C45A Ru1A . . 172.0(4) ?
O2A C46A Ru1A . . 175.3(4) ?
O1A C47A Ru1A . . 174.6(4) ?
O4A C48A Ru2A . . 174.6(4) ?
O5A C49A Ru2A . . 177.1(5) ?
O6A C50A Ru2A . . 172.8(4) ?
O7A C51A Ru3A . . 174.5(4) ?
O8A C52A Ru3A . . 176.7(4) ?
O9A C53A Ru3A . . 174.8(4) ?
C39B Sb1B C27B . . 98.51(17) ?
C39B Sb1B C33B . . 102.13(16) ?
C27B Sb1B C33B . . 97.89(17) ?
C39B Sb1B Ru3B . . 115.01(12) ?
C27B Sb1B Ru3B . . 114.69(12) ?
C33B Sb1B Ru3B . . 124.42(12) ?
C46B Ru1B C45B . . 93.28(19) ?
C46B Ru1B C47B . . 93.58(19) ?
C45B Ru1B C47B . . 170.68(19) ?
C46B Ru1B P1B . . 99.49(15) ?
C45B Ru1B P1B . . 93.42(14) ?
C47B Ru1B P1B . . 91.67(15) ?
C46B Ru1B Ru3B . . 102.02(15) ?
C45B Ru1B Ru3B . . 94.56(14) ?
C47B Ru1B Ru3B . . 77.83(14) ?
P1B Ru1B Ru3B . . 156.56(3) ?
C46B Ru1B Ru2B . . 157.28(15) ?
C45B Ru1B Ru2B . . 76.72(13) ?
C47B Ru1B Ru2B . . 94.62(13) ?
P1B Ru1B Ru2B . . 101.41(3) ?
Ru3B Ru1B Ru2B . . 59.339(12) ?
C49B Ru2B C48B . . 93.7(2) ?
C49B Ru2B C50B . . 91.1(2) ?
C48B Ru2B C50B . . 173.32(19) ?
C49B Ru2B P2B . . 100.33(16) ?
C48B Ru2B P2B . . 92.98(14) ?
C50B Ru2B P2B . . 90.74(15) ?
C49B Ru2B Ru3B . . 100.09(16) ?
C48B Ru2B Ru3B . . 94.22(14) ?
C50B Ru2B Ru3B . . 80.34(14) ?
P2B Ru2B Ru3B . . 157.84(3) ?
C49B Ru2B Ru1B . . 156.86(16) ?
C48B Ru2B Ru1B . . 77.34(14) ?
C50B Ru2B Ru1B . . 96.49(15) ?
P2B Ru2B Ru1B . . 101.39(3) ?
Ru3B Ru2B Ru1B . . 60.057(12) ?
C52B Ru3B C51B . . 93.8(2) ?
C52B Ru3B C53B . . 90.71(19) ?
C51B Ru3B C53B . . 174.62(19) ?
C52B Ru3B Sb1B . . 101.26(15) ?
C51B Ru3B Sb1B . . 90.55(13) ?
C53B Ru3B Sb1B . . 91.52(13) ?
C52B Ru3B Ru2B . . 98.10(14) ?
C51B Ru3B Ru2B . . 94.91(13) ?
C53B Ru3B Ru2B . . 81.48(14) ?
Sb1B Ru3B Ru2B . . 159.491(17) ?
C52B Ru3B Ru1B . . 156.09(15) ?
C51B Ru3B Ru1B . . 78.56(14) ?
C53B Ru3B Ru1B . . 96.16(14) ?
Sb1B Ru3B Ru1B . . 101.418(15) ?
Ru2B Ru3B Ru1B . . 60.604(12) ?
C7B P1B C1B . . 102.2(2) ?
C7B P1B C13B . . 103.6(2) ?
C1B P1B C13B . . 100.9(2) ?
C7B P1B Ru1B . . 115.21(18) ?
C1B P1B Ru1B . . 116.72(16) ?
C13B P1B Ru1B . . 116.02(16) ?
C15B P2B C21B . . 102.8(2) ?
C15B P2B C14B . . 103.2(2) ?
C21B P2B C14B . . 100.9(2) ?
C15B P2B Ru2B . . 114.64(16) ?
C21B P2B Ru2B . . 118.02(17) ?
C14B P2B Ru2B . . 115.19(17) ?
C2B C1B C6B . . 117.6(5) ?
C2B C1B P1B . . 123.1(4) ?
C6B C1B P1B . . 119.2(4) ?
C1B C2B C3B . . 122.0(5) ?
C1B C2B H2BA . . 119.0 ?
C3B C2B H2BA . . 119.0 ?
C4B C3B C2B . . 119.6(5) ?
C4B C3B H3BA . . 120.2 ?
C2B C3B H3BA . . 120.2 ?
C3B C4B C5B . . 120.0(5) ?
C3B C4B H4BA . . 120.0 ?
C5B C4B H4BA . . 120.0 ?
C6B C5B C4B . . 120.1(6) ?
C6B C5B H5BA . . 120.0 ?
C4B C5B H5BA . . 120.0 ?
C5B C6B C1B . . 120.6(5) ?
C5B C6B H6BA . . 119.7 ?
C1B C6B H6BA . . 119.7 ?
C12B C7B C8B . . 118.3(5) ?
C12B C7B P1B . . 123.4(5) ?
C8B C7B P1B . . 118.3(4) ?
C9B C8B C7B . . 121.2(5) ?
C9B C8B H8BA . . 119.4 ?
C7B C8B H8BA . . 119.4 ?
C10B C9B C8B . . 119.7(6) ?
C10B C9B H9BA . . 120.1 ?
C8B C9B H9BA . . 120.1 ?
C11B C10B C9B . . 120.3(6) ?
C11B C10B H10B . . 119.9 ?
C9B C10B H10B . . 119.9 ?
C10B C11B C12B . . 120.6(6) ?
C10B C11B H11B . . 119.7 ?
C12B C11B H11B . . 119.7 ?
C7B C12B C11B . . 119.9(6) ?
C7B C12B H12B . . 120.0 ?
C11B C12B H12B . . 120.0 ?
C14B C13B P1B . . 113.1(3) ?
C14B C13B H13C . . 109.0 ?
P1B C13B H13C . . 109.0 ?
C14B C13B H13D . . 109.0 ?
P1B C13B H13D . . 109.0 ?
H13C C13B H13D . . 107.8 ?
C13B C14B P2B . . 112.8(4) ?
C13B C14B H14C . . 109.0 ?
P2B C14B H14C . . 109.0 ?
C13B C14B H14D . . 109.0 ?
P2B C14B H14D . . 109.0 ?
H14C C14B H14D . . 107.8 ?
C20B C15B C16B . . 118.1(5) ?
C20B C15B P2B . . 122.2(4) ?
C16B C15B P2B . . 119.5(4) ?
C17B C16B C15B . . 121.4(5) ?
C17B C16B H16B . . 119.3 ?
C15B C16B H16B . . 119.3 ?
C18B C17B C16B . . 119.5(6) ?
C18B C17B H17B . . 120.3 ?
C16B C17B H17B . . 120.3 ?
C19B C18B C17B . . 119.9(6) ?
C19B C18B H18B . . 120.1 ?
C17B C18B H18B . . 120.1 ?
C18B C19B C20B . . 120.4(6) ?
C18B C19B H19B . . 119.8 ?
C20B C19B H19B . . 119.8 ?
C19B C20B C15B . . 120.8(6) ?
C19B C20B H20B . . 119.6 ?
C15B C20B H20B . . 119.6 ?
C22B C21B C26B . . 119.1(5) ?
C22B C21B P2B . . 121.8(4) ?
C26B C21B P2B . . 119.1(4) ?
C21B C22B C23B . . 120.3(6) ?
C21B C22B H22B . . 119.9 ?
C23B C22B H22B . . 119.9 ?
C24B C23B C22B . . 120.7(6) ?
C24B C23B H23B . . 119.6 ?
C22B C23B H23B . . 119.6 ?
C23B C24B C25B . . 119.8(5) ?
C23B C24B H24B . . 120.1 ?
C25B C24B H24B . . 120.1 ?
C26B C25B C24B . . 119.7(6) ?
C26B C25B H25B . . 120.1 ?
C24B C25B H25B . . 120.1 ?
C25B C26B C21B . . 120.4(6) ?
C25B C26B H26B . . 119.8 ?
C21B C26B H26B . . 119.8 ?
C28B C27B C32B . . 118.5(5) ?
C28B C27B Sb1B . . 121.6(4) ?
C32B C27B Sb1B . . 119.9(3) ?
C27B C28B C29B . . 120.4(5) ?
C27B C28B H28B . . 119.8 ?
C29B C28B H28B . . 119.8 ?
C30B C29B C28B . . 121.1(5) ?
C30B C29B H29B . . 119.5 ?
C28B C29B H29B . . 119.5 ?
C29B C30B C31B . . 119.1(5) ?
C29B C30B H30B . . 120.5 ?
C31B C30B H30B . . 120.5 ?
C32B C31B C30B . . 120.2(5) ?
C32B C31B H31B . . 119.9 ?
C30B C31B H31B . . 119.9 ?
C31B C32B C27B . . 120.6(5) ?
C31B C32B H32B . . 119.7 ?
C27B C32B H32B . . 119.7 ?
C34B C33B C38B . . 119.4(4) ?
C34B C33B Sb1B . . 119.4(3) ?
C38B C33B Sb1B . . 120.5(3) ?
C33B C34B C35B . . 121.0(4) ?
C33B C34B H34B . . 119.5 ?
C35B C34B H34B . . 119.5 ?
C36B C35B C34B . . 119.4(5) ?
C36B C35B H35B . . 120.3 ?
C34B C35B H35B . . 120.3 ?
C37B C36B C35B . . 120.1(4) ?
C37B C36B H36B . . 120.0 ?
C35B C36B H36B . . 120.0 ?
C36B C37B C38B . . 120.5(5) ?
C36B C37B H37B . . 119.8 ?
C38B C37B H37B . . 119.8 ?
C37B C38B C33B . . 119.5(5) ?
C37B C38B H38B . . 120.2 ?
C33B C38B H38B . . 120.2 ?
C40B C39B C44B . . 119.0(4) ?
C40B C39B Sb1B . . 123.0(3) ?
C44B C39B Sb1B . . 117.6(3) ?
C39B C40B C41B . . 120.5(5) ?
C39B C40B H40B . . 119.7 ?
C41B C40B H40B . . 119.7 ?
C42B C41B C40B . . 119.9(5) ?
C42B C41B H41B . . 120.1 ?
C40B C41B H41B . . 120.1 ?
C41B C42B C43B . . 120.4(5) ?
C41B C42B H42B . . 119.8 ?
C43B C42B H42B . . 119.8 ?
C42B C43B C44B . . 120.0(5) ?
C42B C43B H43B . . 120.0 ?
C44B C43B H43B . . 120.0 ?
C43B C44B C39B . . 120.2(5) ?
C43B C44B H44B . . 119.9 ?
C39B C44B H44B . . 119.9 ?
O1B C45B Ru1B . . 172.1(4) ?
O2B C46B Ru1B . . 175.8(4) ?
O3B C47B Ru1B . . 173.8(4) ?
O4B C48B Ru2B . . 173.6(4) ?
O5B C49B Ru2B . . 177.5(6) ?
O6B C50B Ru2B . . 175.6(5) ?
O7B C51B Ru3B . . 175.8(4) ?
O8B C52B Ru3B . . 178.0(4) ?
O9B C53B Ru3B . . 174.4(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sb1A C33A . 2.133(4) ?
Sb1A C39A . 2.133(5) ?
Sb1A C27A . 2.142(5) ?
Sb1A Ru3A . 2.5846(4) ?
Ru1A C46A . 1.879(4) ?
Ru1A C45A . 1.919(5) ?
Ru1A C47A . 1.939(5) ?
Ru1A P1A . 2.3350(12) ?
Ru1A Ru2A . 2.8651(5) ?
Ru1A Ru3A . 2.8676(5) ?
Ru2A C49A . 1.898(5) ?
Ru2A C50A . 1.919(5) ?
Ru2A C48A . 1.942(5) ?
Ru2A P2A . 2.3202(12) ?
Ru2A Ru3A . 2.8124(5) ?
Ru3A C52A . 1.880(5) ?
Ru3A C53A . 1.929(5) ?
Ru3A C51A . 1.936(5) ?
P1A C7A . 1.826(4) ?
P1A C1A . 1.835(5) ?
P1A C13A . 1.838(4) ?
P2A C21A . 1.820(5) ?
P2A C15A . 1.836(4) ?
P2A C14A . 1.839(5) ?
O1A C47A . 1.146(6) ?
O2A C46A . 1.145(5) ?
O3A C45A . 1.152(6) ?
O4A C48A . 1.131(6) ?
O5A C49A . 1.137(6) ?
O6A C50A . 1.153(5) ?
O7A C51A . 1.142(6) ?
O8A C52A . 1.148(6) ?
O9A C53A . 1.142(6) ?
C1A C6A . 1.389(7) ?
C1A C2A . 1.393(6) ?
C2A C3A . 1.399(7) ?
C2A H2AA . 0.9300 ?
C3A C4A . 1.376(8) ?
C3A H3AA . 0.9300 ?
C4A C5A . 1.388(8) ?
C4A H4AA . 0.9300 ?
C5A C6A . 1.391(7) ?
C5A H5AA . 0.9300 ?
C6A H6AA . 0.9300 ?
C7A C8A . 1.386(6) ?
C7A C12A . 1.406(6) ?
C8A C9A . 1.383(7) ?
C8A H8AA . 0.9300 ?
C9A C10A . 1.370(8) ?
C9A H9AA . 0.9300 ?
C10A C11A . 1.381(8) ?
C10A H10A . 0.9300 ?
C11A C12A . 1.381(7) ?
C11A H11A . 0.9300 ?
C12A H12A . 0.9300 ?
C13A C14A . 1.542(6) ?
C13A H13A . 0.9700 ?
C13A H13B . 0.9700 ?
C14A H14A . 0.9700 ?
C14A H14B . 0.9700 ?
C15A C20A . 1.390(7) ?
C15A C16A . 1.390(7) ?
C16A C17A . 1.390(6) ?
C16A H16A . 0.9300 ?
C17A C18A . 1.357(9) ?
C17A H17A . 0.9300 ?
C18A C19A . 1.387(9) ?
C18A H18A . 0.9300 ?
C19A C20A . 1.396(7) ?
C19A H19A . 0.9300 ?
C20A H20A . 0.9300 ?
C21A C26A . 1.381(7) ?
C21A C22A . 1.390(7) ?
C22A C23A . 1.373(8) ?
C22A H22A . 0.9300 ?
C23A C24A . 1.355(9) ?
C23A H23A . 0.9300 ?
C24A C25A . 1.376(9) ?
C24A H24A . 0.9300 ?
C25A C26A . 1.370(8) ?
C25A H25A . 0.9300 ?
C26A H26A . 0.9300 ?
C27A C28A . 1.376(7) ?
C27A C32A . 1.388(7) ?
C28A C29A . 1.393(7) ?
C28A H28A . 0.9300 ?
C29A C30A . 1.376(8) ?
C29A H29A . 0.9300 ?
C30A C31A . 1.389(8) ?
C30A H30A . 0.9300 ?
C31A C32A . 1.389(8) ?
C31A H31A . 0.9300 ?
C32A H32A . 0.9300 ?
C33A C38A . 1.357(7) ?
C33A C34A . 1.408(7) ?
C34A C35A . 1.387(7) ?
C34A H34A . 0.9300 ?
C35A C36A . 1.390(8) ?
C35A H35A . 0.9300 ?
C36A C37A . 1.350(8) ?
C36A H36A . 0.9300 ?
C37A C38A . 1.396(8) ?
C37A H37A . 0.9300 ?
C38A H38A . 0.9300 ?
C39A C40A . 1.376(7) ?
C39A C44A . 1.390(6) ?
C40A C41A . 1.387(7) ?
C40A H40A . 0.9300 ?
C41A C42A . 1.384(7) ?
C41A H41A . 0.9300 ?
C42A C43A . 1.379(8) ?
C42A H42A . 0.9300 ?
C43A C44A . 1.381(8) ?
C43A H43A . 0.9300 ?
C44A H44A . 0.9300 ?
Sb1B C39B . 2.125(4) ?
Sb1B C27B . 2.132(4) ?
Sb1B C33B . 2.132(4) ?
Sb1B Ru3B . 2.5919(4) ?
Ru1B C46B . 1.884(4) ?
Ru1B C45B . 1.923(5) ?
Ru1B C47B . 1.953(5) ?
Ru1B P1B . 2.3073(12) ?
Ru1B Ru3B . 2.8500(5) ?
Ru1B Ru2B . 2.8655(5) ?
Ru2B C49B . 1.898(5) ?
Ru2B C48B . 1.932(5) ?
Ru2B C50B . 1.950(5) ?
Ru2B P2B . 2.3224(12) ?
Ru2B Ru3B . 2.8292(5) ?
Ru3B C52B . 1.879(5) ?
Ru3B C51B . 1.930(5) ?
Ru3B C53B . 1.935(5) ?
P1B C7B . 1.834(5) ?
P1B C1B . 1.836(5) ?
P1B C13B . 1.853(5) ?
P2B C15B . 1.826(5) ?
P2B C21B . 1.834(4) ?
P2B C14B . 1.850(5) ?
O1B C45B . 1.151(6) ?
O2B C46B . 1.146(6) ?
O3B C47B . 1.143(6) ?
O4B C48B . 1.145(6) ?
O5B C49B . 1.137(6) ?
O6B C50B . 1.125(6) ?
O7B C51B . 1.149(5) ?
O8B C52B . 1.143(6) ?
O9B C53B . 1.149(6) ?
C1B C2B . 1.374(7) ?
C1B C6B . 1.401(7) ?
C2B C3B . 1.385(7) ?
C2B H2BA . 0.9300 ?
C3B C4B . 1.363(9) ?
C3B H3BA . 0.9300 ?
C4B C5B . 1.386(9) ?
C4B H4BA . 0.9300 ?
C5B C6B . 1.380(8) ?
C5B H5BA . 0.9300 ?
C6B H6BA . 0.9300 ?
C7B C12B . 1.390(7) ?
C7B C8B . 1.409(8) ?
C8B C9B . 1.386(8) ?
C8B H8BA . 0.9300 ?
C9B C10B . 1.379(9) ?
C9B H9BA . 0.9300 ?
C10B C11B . 1.377(10) ?
C10B H10B . 0.9300 ?
C11B C12B . 1.405(9) ?
C11B H11B . 0.9300 ?
C12B H12B . 0.9300 ?
C13B C14B . 1.532(8) ?
C13B H13C . 0.9700 ?
C13B H13D . 0.9700 ?
C14B H14C . 0.9700 ?
C14B H14D . 0.9700 ?
C15B C20B . 1.390(7) ?
C15B C16B . 1.391(8) ?
C16B C17B . 1.390(8) ?
C16B H16B . 0.9300 ?
C17B C18B . 1.383(9) ?
C17B H17B . 0.9300 ?
C18B C19B . 1.378(10) ?
C18B H18B . 0.9300 ?
C19B C20B . 1.385(8) ?
C19B H19B . 0.9300 ?
C20B H20B . 0.9300 ?
C21B C22B . 1.376(7) ?
C21B C26B . 1.395(7) ?
C22B C23B . 1.398(8) ?
C22B H22B . 0.9300 ?
C23B C24B . 1.357(10) ?
C23B H23B . 0.9300 ?
C24B C25B . 1.398(11) ?
C24B H24B . 0.9300 ?
C25B C26B . 1.386(8) ?
C25B H25B . 0.9300 ?
C26B H26B . 0.9300 ?
C27B C28B . 1.376(7) ?
C27B C32B . 1.389(6) ?
C28B C29B . 1.379(8) ?
C28B H28B . 0.9300 ?
C29B C30B . 1.364(8) ?
C29B H29B . 0.9300 ?
C30B C31B . 1.382(7) ?
C30B H30B . 0.9300 ?
C31B C32B . 1.377(7) ?
C31B H31B . 0.9300 ?
C32B H32B . 0.9300 ?
C33B C34B . 1.374(6) ?
C33B C38B . 1.403(6) ?
C34B C35B . 1.395(6) ?
C34B H34B . 0.9300 ?
C35B C36B . 1.391(7) ?
C35B H35B . 0.9300 ?
C36B C37B . 1.377(7) ?
C36B H36B . 0.9300 ?
C37B C38B . 1.398(6) ?
C37B H37B . 0.9300 ?
C38B H38B . 0.9300 ?
C39B C40B . 1.385(7) ?
C39B C44B . 1.398(6) ?
C40B C41B . 1.396(7) ?
C40B H40B . 0.9300 ?
C41B C42B . 1.378(8) ?
C41B H41B . 0.9300 ?
C42B C43B . 1.379(8) ?
C42B H42B . 0.9300 ?
C43B C44B . 1.392(7) ?
C43B H43B . 0.9300 ?
C44B H44B . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C18A H18A O7B 2_666 0.93 2.55 3.337(7) 142 yes
C34A H34A O2A . 0.93 2.56 3.375(7) 147 yes
C34B H34B O8B 2_666 0.93 2.57 3.414(7) 151 yes
C5B H5BA Cg1 2_556 0.93 3.00 3.723(9) 136 yes
C25B H25B Cg2 1_455 0.93 2.95 3.856(8) 166 yes
C43A H43A Cg3 1_455 0.93 2.91 3.624(6) 135 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
C46A Ru1A Ru2A C49A . . . . 60.7(5) ?
C45A Ru1A Ru2A C49A . . . . 130.7(4) ?
C47A Ru1A Ru2A C49A . . . . -48.2(4) ?
P1A Ru1A Ru2A C49A . . . . -142.9(4) ?
Ru3A Ru1A Ru2A C49A . . . . 28.9(4) ?
C46A Ru1A Ru2A C50A . . . . 134.8(4) ?
C45A Ru1A Ru2A C50A . . . . -155.1(2) ?
C47A Ru1A Ru2A C50A . . . . 25.95(19) ?
P1A Ru1A Ru2A C50A . . . . -68.71(14) ?
Ru3A Ru1A Ru2A C50A . . . . 103.01(13) ?
C46A Ru1A Ru2A C48A . . . . -45.8(4) ?
C45A Ru1A Ru2A C48A . . . . 24.2(2) ?
C47A Ru1A Ru2A C48A . . . . -154.7(2) ?
P1A Ru1A Ru2A C48A . . . . 110.64(16) ?
Ru3A Ru1A Ru2A C48A . . . . -77.63(16) ?
C46A Ru1A Ru2A P2A . . . . -136.6(3) ?
C45A Ru1A Ru2A P2A . . . . -66.54(15) ?
C47A Ru1A Ru2A P2A . . . . 114.54(14) ?
P1A Ru1A Ru2A P2A . . . . 19.88(4) ?
Ru3A Ru1A Ru2A P2A . . . . -168.40(3) ?
C46A Ru1A Ru2A Ru3A . . . . 31.8(3) ?
C45A Ru1A Ru2A Ru3A . . . . 101.86(15) ?
C47A Ru1A Ru2A Ru3A . . . . -77.06(14) ?
P1A Ru1A Ru2A Ru3A . . . . -171.72(3) ?
C33A Sb1A Ru3A C52A . . . . 88.6(2) ?
C39A Sb1A Ru3A C52A . . . . -28.4(2) ?
C27A Sb1A Ru3A C52A . . . . -141.3(2) ?
C33A Sb1A Ru3A C53A . . . . -3.6(2) ?
C39A Sb1A Ru3A C53A . . . . -120.60(19) ?
C27A Sb1A Ru3A C53A . . . . 126.5(2) ?
C33A Sb1A Ru3A C51A . . . . 179.9(2) ?
C39A Sb1A Ru3A C51A . . . . 62.94(19) ?
C27A Sb1A Ru3A C51A . . . . -50.0(2) ?
C33A Sb1A Ru3A Ru2A . . . . -114.47(16) ?
C39A Sb1A Ru3A Ru2A . . . . 128.56(14) ?
C27A Sb1A Ru3A Ru2A . . . . 15.66(15) ?
C33A Sb1A Ru3A Ru1A . . . . -85.37(16) ?
C39A Sb1A Ru3A Ru1A . . . . 157.66(14) ?
C27A Sb1A Ru3A Ru1A . . . . 44.77(14) ?
C49A Ru2A Ru3A C52A . . . . 22.8(2) ?
C50A Ru2A Ru3A C52A . . . . 117.7(2) ?
C48A Ru2A Ru3A C52A . . . . -68.7(2) ?
P2A Ru2A Ru3A C52A . . . . -133.87(18) ?
Ru1A Ru2A Ru3A C52A . . . . -169.41(15) ?
C49A Ru2A Ru3A C53A . . . . 115.4(2) ?
C50A Ru2A Ru3A C53A . . . . -149.66(19) ?
C48A Ru2A Ru3A C53A . . . . 24.0(2) ?
P2A Ru2A Ru3A C53A . . . . -41.19(17) ?
Ru1A Ru2A Ru3A C53A . . . . -76.73(14) ?
C49A Ru2A Ru3A C51A . . . . -67.6(2) ?
C50A Ru2A Ru3A C51A . . . . 27.35(19) ?
C48A Ru2A Ru3A C51A . . . . -159.0(2) ?
P2A Ru2A Ru3A C51A . . . . 135.82(17) ?
Ru1A Ru2A Ru3A C51A . . . . 100.27(14) ?
C49A Ru2A Ru3A Sb1A . . . . -134.69(17) ?
C50A Ru2A Ru3A Sb1A . . . . -39.78(14) ?
C48A Ru2A Ru3A Sb1A . . . . 133.86(16) ?
P2A Ru2A Ru3A Sb1A . . . . 68.69(11) ?
Ru1A Ru2A Ru3A Sb1A . . . . 33.14(5) ?
C49A Ru2A Ru3A Ru1A . . . . -167.83(16) ?
C50A Ru2A Ru3A Ru1A . . . . -72.93(13) ?
C48A Ru2A Ru3A Ru1A . . . . 100.72(15) ?
P2A Ru2A Ru3A Ru1A . . . . 35.55(9) ?
C46A Ru1A Ru3A C52A . . . . -141.6(4) ?
C45A Ru1A Ru3A C52A . . . . -48.9(4) ?
C47A Ru1A Ru3A C52A . . . . 127.2(4) ?
P1A Ru1A Ru3A C52A . . . . 48.2(3) ?
Ru2A Ru1A Ru3A C52A . . . . 25.1(3) ?
C46A Ru1A Ru3A C53A . . . . -64.46(19) ?
C45A Ru1A Ru3A C53A . . . . 28.29(19) ?
C47A Ru1A Ru3A C53A . . . . -155.60(19) ?
P1A Ru1A Ru3A C53A . . . . 125.32(16) ?
Ru2A Ru1A Ru3A C53A . . . . 102.24(14) ?
C46A Ru1A Ru3A C51A . . . . 115.9(2) ?
C45A Ru1A Ru3A C51A . . . . -151.31(19) ?
C47A Ru1A Ru3A C51A . . . . 24.80(19) ?
P1A Ru1A Ru3A C51A . . . . -54.28(17) ?
Ru2A Ru1A Ru3A C51A . . . . -77.36(14) ?
C46A Ru1A Ru3A Sb1A . . . . 24.62(14) ?
C45A Ru1A Ru3A Sb1A . . . . 117.37(13) ?
C47A Ru1A Ru3A Sb1A . . . . -66.52(13) ?
P1A Ru1A Ru3A Sb1A . . . . -145.60(9) ?
Ru2A Ru1A Ru3A Sb1A . . . . -168.678(17) ?
C46A Ru1A Ru3A Ru2A . . . . -166.70(14) ?
C45A Ru1A Ru3A Ru2A . . . . -73.95(13) ?
C47A Ru1A Ru3A Ru2A . . . . 102.15(13) ?
P1A Ru1A Ru3A Ru2A . . . . 23.07(9) ?
C46A Ru1A P1A C7A . . . . 48.9(2) ?
C45A Ru1A P1A C7A . . . . -43.0(2) ?
C47A Ru1A P1A C7A . . . . 141.9(2) ?
Ru2A Ru1A P1A C7A . . . . -121.00(17) ?
Ru3A Ru1A P1A C7A . . . . -141.00(17) ?
C46A Ru1A P1A C1A . . . . -72.1(2) ?
C45A Ru1A P1A C1A . . . . -164.1(2) ?
C47A Ru1A P1A C1A . . . . 20.9(2) ?
Ru2A Ru1A P1A C1A . . . . 117.99(16) ?
Ru3A Ru1A P1A C1A . . . . 97.98(18) ?
C46A Ru1A P1A C13A . . . . 169.8(2) ?
C45A Ru1A P1A C13A . . . . 77.9(2) ?
C47A Ru1A P1A C13A . . . . -97.1(2) ?
Ru2A Ru1A P1A C13A . . . . -0.03(17) ?
Ru3A Ru1A P1A C13A . . . . -20.0(2) ?
C49A Ru2A P2A C21A . . . . -68.3(2) ?
C50A Ru2A P2A C21A . . . . -163.0(2) ?
C48A Ru2A P2A C21A . . . . 24.0(2) ?
Ru3A Ru2A P2A C21A . . . . 87.96(19) ?
Ru1A Ru2A P2A C21A . . . . 119.28(17) ?
C49A Ru2A P2A C15A . . . . 54.1(2) ?
C50A Ru2A P2A C15A . . . . -40.5(2) ?
C48A Ru2A P2A C15A . . . . 146.4(2) ?
Ru3A Ru2A P2A C15A . . . . -149.62(16) ?
Ru1A Ru2A P2A C15A . . . . -118.30(16) ?
C49A Ru2A P2A C14A . . . . 174.2(2) ?
C50A Ru2A P2A C14A . . . . 79.6(2) ?
C48A Ru2A P2A C14A . . . . -93.5(2) ?
Ru3A Ru2A P2A C14A . . . . -29.5(2) ?
Ru1A Ru2A P2A C14A . . . . 1.80(16) ?
C7A P1A C1A C6A . . . . -20.2(4) ?
C13A P1A C1A C6A . . . . -126.8(4) ?
Ru1A P1A C1A C6A . . . . 107.2(4) ?
C7A P1A C1A C2A . . . . 161.4(4) ?
C13A P1A C1A C2A . . . . 54.8(4) ?
Ru1A P1A C1A C2A . . . . -71.2(4) ?
C6A C1A C2A C3A . . . . 0.7(7) ?
P1A C1A C2A C3A . . . . 179.1(4) ?
C1A C2A C3A C4A . . . . 0.1(9) ?
C2A C3A C4A C5A . . . . -1.1(9) ?
C3A C4A C5A C6A . . . . 1.2(9) ?
C2A C1A C6A C5A . . . . -0.5(7) ?
P1A C1A C6A C5A . . . . -178.9(4) ?
C4A C5A C6A C1A . . . . -0.4(8) ?
C1A P1A C7A C8A . . . . 84.7(4) ?
C13A P1A C7A C8A . . . . -170.8(4) ?
Ru1A P1A C7A C8A . . . . -43.3(5) ?
C1A P1A C7A C12A . . . . -94.4(4) ?
C13A P1A C7A C12A . . . . 10.2(5) ?
Ru1A P1A C7A C12A . . . . 137.7(4) ?
C12A C7A C8A C9A . . . . 1.8(8) ?
P1A C7A C8A C9A . . . . -177.3(5) ?
C7A C8A C9A C10A . . . . -1.2(9) ?
C8A C9A C10A C11A . . . . -0.5(9) ?
C9A C10A C11A C12A . . . . 1.4(9) ?
C10A C11A C12A C7A . . . . -0.8(9) ?
C8A C7A C12A C11A . . . . -0.8(8) ?
P1A C7A C12A C11A . . . . 178.2(4) ?
C7A P1A C13A C14A . . . . 69.4(3) ?
C1A P1A C13A C14A . . . . 175.8(3) ?
Ru1A P1A C13A C14A . . . . -57.8(3) ?
P1A C13A C14A P2A . . . . 98.9(3) ?
C21A P2A C14A C13A . . . . 175.7(3) ?
C15A P2A C14A C13A . . . . 66.9(3) ?
Ru2A P2A C14A C13A . . . . -60.2(3) ?
C21A P2A C15A C20A . . . . -75.2(5) ?
C14A P2A C15A C20A . . . . 31.2(5) ?
Ru2A P2A C15A C20A . . . . 157.7(4) ?
C21A P2A C15A C16A . . . . 106.1(4) ?
C14A P2A C15A C16A . . . . -147.5(4) ?
Ru2A P2A C15A C16A . . . . -21.0(4) ?
C20A C15A C16A C17A . . . . 0.5(7) ?
P2A C15A C16A C17A . . . . 179.3(4) ?
C15A C16A C17A C18A . . . . -1.8(8) ?
C16A C17A C18A C19A . . . . 1.6(8) ?
C17A C18A C19A C20A . . . . -0.1(9) ?
C16A C15A C20A C19A . . . . 1.0(8) ?
P2A C15A C20A C19A . . . . -177.7(4) ?
C18A C19A C20A C15A . . . . -1.2(9) ?
C15A P2A C21A C26A . . . . -38.5(5) ?
C14A P2A C21A C26A . . . . -145.6(5) ?
Ru2A P2A C21A C26A . . . . 89.7(5) ?
C15A P2A C21A C22A . . . . 147.9(5) ?
C14A P2A C21A C22A . . . . 40.8(6) ?
Ru2A P2A C21A C22A . . . . -83.9(6) ?
C26A C21A C22A C23A . . . . -1.6(11) ?
P2A C21A C22A C23A . . . . 172.3(7) ?
C21A C22A C23A C24A . . . . 1.9(14) ?
C22A C23A C24A C25A . . . . -1.4(13) ?
C23A C24A C25A C26A . . . . 0.6(12) ?
C24A C25A C26A C21A . . . . -0.3(12) ?
C22A C21A C26A C25A . . . . 0.8(10) ?
P2A C21A C26A C25A . . . . -173.1(6) ?
C33A Sb1A C27A C28A . . . . -143.9(4) ?
C39A Sb1A C27A C28A . . . . -43.4(4) ?
Ru3A Sb1A C27A C28A . . . . 79.3(4) ?
C33A Sb1A C27A C32A . . . . 43.4(5) ?
C39A Sb1A C27A C32A . . . . 143.9(4) ?
Ru3A Sb1A C27A C32A . . . . -93.3(4) ?
C32A C27A C28A C29A . . . . 0.6(8) ?
Sb1A C27A C28A C29A . . . . -172.5(4) ?
C27A C28A C29A C30A . . . . -0.4(8) ?
C28A C29A C30A C31A . . . . 0.3(9) ?
C29A C30A C31A C32A . . . . -0.4(10) ?
C28A C27A C32A C31A . . . . -0.7(8) ?
Sb1A C27A C32A C31A . . . . 171.8(4) ?
C30A C31A C32A C27A . . . . 0.6(9) ?
C39A Sb1A C33A C38A . . . . 39.5(5) ?
C27A Sb1A C33A C38A . . . . 139.3(5) ?
Ru3A Sb1A C33A C38A . . . . -85.9(5) ?
C39A Sb1A C33A C34A . . . . -147.6(4) ?
C27A Sb1A C33A C34A . . . . -47.7(5) ?
Ru3A Sb1A C33A C34A . . . . 87.0(4) ?
C38A C33A C34A C35A . . . . -4.1(9) ?
Sb1A C33A C34A C35A . . . . -177.0(4) ?
C33A C34A C35A C36A . . . . 1.2(9) ?
C34A C35A C36A C37A . . . . 3.6(10) ?
C35A C36A C37A C38A . . . . -5.3(11) ?
C34A C33A C38A C37A . . . . 2.4(10) ?
Sb1A C33A C38A C37A . . . . 175.7(5) ?
C36A C37A C38A C33A . . . . 2.4(11) ?
C33A Sb1A C39A C40A . . . . -122.7(4) ?
C27A Sb1A C39A C40A . . . . 130.3(4) ?
Ru3A Sb1A C39A C40A . . . . 6.4(4) ?
C33A Sb1A C39A C44A . . . . 56.4(4) ?
C27A Sb1A C39A C44A . . . . -50.6(4) ?
Ru3A Sb1A C39A C44A . . . . -174.5(4) ?
C44A C39A C40A C41A . . . . -1.7(8) ?
Sb1A C39A C40A C41A . . . . 177.4(4) ?
C39A C40A C41A C42A . . . . 0.9(9) ?
C40A C41A C42A C43A . . . . 0.9(9) ?
C41A C42A C43A C44A . . . . -1.9(9) ?
C42A C43A C44A C39A . . . . 1.1(8) ?
C40A C39A C44A C43A . . . . 0.7(8) ?
Sb1A C39A C44A C43A . . . . -178.4(4) ?
C46B Ru1B Ru2B C49B . . . . -71.4(6) ?
C45B Ru1B Ru2B C49B . . . . -137.1(5) ?
C47B Ru1B Ru2B C49B . . . . 39.4(5) ?
P1B Ru1B Ru2B C49B . . . . 132.0(5) ?
Ru3B Ru1B Ru2B C49B . . . . -33.5(5) ?
C46B Ru1B Ru2B C48B . . . . -140.4(4) ?
C45B Ru1B Ru2B C48B . . . . 153.9(2) ?
C47B Ru1B Ru2B C48B . . . . -29.6(2) ?
P1B Ru1B Ru2B C48B . . . . 63.06(15) ?
Ru3B Ru1B Ru2B C48B . . . . -102.50(15) ?
C46B Ru1B Ru2B C50B . . . . 37.0(4) ?
C45B Ru1B Ru2B C50B . . . . -28.7(2) ?
C47B Ru1B Ru2B C50B . . . . 147.8(2) ?
P1B Ru1B Ru2B C50B . . . . -119.54(16) ?
Ru3B Ru1B Ru2B C50B . . . . 74.90(16) ?
C46B Ru1B Ru2B P2B . . . . 129.1(4) ?
C45B Ru1B Ru2B P2B . . . . 63.38(13) ?
C47B Ru1B Ru2B P2B . . . . -120.11(15) ?
P1B Ru1B Ru2B P2B . . . . -27.47(5) ?
Ru3B Ru1B Ru2B P2B . . . . 166.97(3) ?
C46B Ru1B Ru2B Ru3B . . . . -37.9(4) ?
C45B Ru1B Ru2B Ru3B . . . . -103.59(13) ?
C47B Ru1B Ru2B Ru3B . . . . 72.91(14) ?
P1B Ru1B Ru2B Ru3B . . . . 165.56(4) ?
C39B Sb1B Ru3B C52B . . . . 140.72(19) ?
C27B Sb1B Ru3B C52B . . . . 27.51(19) ?
C33B Sb1B Ru3B C52B . . . . -92.4(2) ?
C39B Sb1B Ru3B C51B . . . . -125.34(19) ?
C27B Sb1B Ru3B C51B . . . . 121.45(19) ?
C33B Sb1B Ru3B C51B . . . . 1.6(2) ?
C39B Sb1B Ru3B C53B . . . . 49.70(19) ?
C27B Sb1B Ru3B C53B . . . . -63.52(19) ?
C33B Sb1B Ru3B C53B . . . . 176.6(2) ?
C39B Sb1B Ru3B Ru2B . . . . -19.69(14) ?
C27B Sb1B Ru3B Ru2B . . . . -132.91(14) ?
C33B Sb1B Ru3B Ru2B . . . . 107.22(15) ?
C39B Sb1B Ru3B Ru1B . . . . -46.90(13) ?
C27B Sb1B Ru3B Ru1B . . . . -160.11(13) ?
C33B Sb1B Ru3B Ru1B . . . . 80.02(15) ?
C49B Ru2B Ru3B C52B . . . . -24.3(2) ?
C48B Ru2B Ru3B C52B . . . . -118.8(2) ?
C50B Ru2B Ru3B C52B . . . . 65.1(2) ?
P2B Ru2B Ru3B C52B . . . . 132.58(17) ?
Ru1B Ru2B Ru3B C52B . . . . 168.44(14) ?
C49B Ru2B Ru3B C51B . . . . -118.8(2) ?
C48B Ru2B Ru3B C51B . . . . 146.7(2) ?
C50B Ru2B Ru3B C51B . . . . -29.4(2) ?
P2B Ru2B Ru3B C51B . . . . 38.07(17) ?
Ru1B Ru2B Ru3B C51B . . . . 73.93(14) ?
C49B Ru2B Ru3B C53B . . . . 65.2(2) ?
C48B Ru2B Ru3B C53B . . . . -29.3(2) ?
C50B Ru2B Ru3B C53B . . . . 154.6(2) ?
P2B Ru2B Ru3B C53B . . . . -137.92(16) ?
Ru1B Ru2B Ru3B C53B . . . . -102.06(14) ?
C49B Ru2B Ru3B Sb1B . . . . 136.30(19) ?
C48B Ru2B Ru3B Sb1B . . . . 41.82(15) ?
C50B Ru2B Ru3B Sb1B . . . . -134.28(17) ?
P2B Ru2B Ru3B Sb1B . . . . -66.82(11) ?
Ru1B Ru2B Ru3B Sb1B . . . . -30.96(5) ?
C49B Ru2B Ru3B Ru1B . . . . 167.26(19) ?
C48B Ru2B Ru3B Ru1B . . . . 72.77(14) ?
C50B Ru2B Ru3B Ru1B . . . . -103.32(16) ?
P2B Ru2B Ru3B Ru1B . . . . -35.86(9) ?
C46B Ru1B Ru3B C52B . . . . 136.6(4) ?
C45B Ru1B Ru3B C52B . . . . 42.3(3) ?
C47B Ru1B Ru3B C52B . . . . -132.2(4) ?
P1B Ru1B Ru3B C52B . . . . -67.2(3) ?
Ru2B Ru1B Ru3B C52B . . . . -29.3(3) ?
C46B Ru1B Ru3B C51B . . . . 63.6(2) ?
C45B Ru1B Ru3B C51B . . . . -30.74(18) ?
C47B Ru1B Ru3B C51B . . . . 154.71(19) ?
P1B Ru1B Ru3B C51B . . . . -140.27(16) ?
Ru2B Ru1B Ru3B C51B . . . . -102.37(13) ?
C46B Ru1B Ru3B C53B . . . . -117.4(2) ?
C45B Ru1B Ru3B C53B . . . . 148.22(18) ?
C47B Ru1B Ru3B C53B . . . . -26.33(19) ?
P1B Ru1B Ru3B C53B . . . . 38.69(17) ?
Ru2B Ru1B Ru3B C53B . . . . 76.60(13) ?
C46B Ru1B Ru3B Sb1B . . . . -24.63(14) ?
C45B Ru1B Ru3B Sb1B . . . . -118.97(13) ?
C47B Ru1B Ru3B Sb1B . . . . 66.48(14) ?
P1B Ru1B Ru3B Sb1B . . . . 131.50(9) ?
Ru2B Ru1B Ru3B Sb1B . . . . 169.406(17) ?
C46B Ru1B Ru3B Ru2B . . . . 165.96(14) ?
C45B Ru1B Ru3B Ru2B . . . . 71.62(13) ?
C47B Ru1B Ru3B Ru2B . . . . -102.93(14) ?
P1B Ru1B Ru3B Ru2B . . . . -37.91(9) ?
C46B Ru1B P1B C7B . . . . 74.8(2) ?
C45B Ru1B P1B C7B . . . . 168.7(2) ?
C47B Ru1B P1B C7B . . . . -19.1(2) ?
Ru3B Ru1B P1B C7B . . . . -81.6(2) ?
Ru2B Ru1B P1B C7B . . . . -114.18(17) ?
C46B Ru1B P1B C1B . . . . -45.1(2) ?
C45B Ru1B P1B C1B . . . . 48.8(2) ?
C47B Ru1B P1B C1B . . . . -139.0(2) ?
Ru3B Ru1B P1B C1B . . . . 158.53(19) ?
Ru2B Ru1B P1B C1B . . . . 125.9(2) ?
C46B Ru1B P1B C13B . . . . -163.9(2) ?
C45B Ru1B P1B C13B . . . . -70.0(2) ?
C47B Ru1B P1B C13B . . . . 102.2(2) ?
Ru3B Ru1B P1B C13B . . . . 39.8(2) ?
Ru2B Ru1B P1B C13B . . . . 7.1(2) ?
C49B Ru2B P2B C15B . . . . 72.9(3) ?
C48B Ru2B P2B C15B . . . . 167.2(2) ?
C50B Ru2B P2B C15B . . . . -18.4(2) ?
Ru3B Ru2B P2B C15B . . . . -84.0(2) ?
Ru1B Ru2B P2B C15B . . . . -115.14(18) ?
C49B Ru2B P2B C21B . . . . -48.4(3) ?
C48B Ru2B P2B C21B . . . . 45.8(2) ?
C50B Ru2B P2B C21B . . . . -139.7(2) ?
Ru3B Ru2B P2B C21B . . . . 154.70(17) ?
Ru1B Ru2B P2B C21B . . . . 123.51(18) ?
C49B Ru2B P2B C14B . . . . -167.6(3) ?
C48B Ru2B P2B C14B . . . . -73.3(2) ?
C50B Ru2B P2B C14B . . . . 101.1(2) ?
Ru3B Ru2B P2B C14B . . . . 35.6(2) ?
Ru1B Ru2B P2B C14B . . . . 4.38(19) ?
C7B P1B C1B C2B . . . . -125.4(5) ?
C13B P1B C1B C2B . . . . 127.9(5) ?
Ru1B P1B C1B C2B . . . . 1.3(5) ?
C7B P1B C1B C6B . . . . 50.9(5) ?
C13B P1B C1B C6B . . . . -55.8(5) ?
Ru1B P1B C1B C6B . . . . 177.5(4) ?
C6B C1B C2B C3B . . . . 1.6(8) ?
P1B C1B C2B C3B . . . . 177.9(4) ?
C1B C2B C3B C4B . . . . 0.6(9) ?
C2B C3B C4B C5B . . . . -2.0(10) ?
C3B C4B C5B C6B . . . . 1.1(10) ?
C4B C5B C6B C1B . . . . 1.2(10) ?
C2B C1B C6B C5B . . . . -2.5(9) ?
P1B C1B C6B C5B . . . . -178.9(5) ?
C1B P1B C7B C12B . . . . -92.3(5) ?
C13B P1B C7B C12B . . . . 12.2(5) ?
Ru1B P1B C7B C12B . . . . 140.1(4) ?
C1B P1B C7B C8B . . . . 86.8(4) ?
C13B P1B C7B C8B . . . . -168.6(4) ?
Ru1B P1B C7B C8B . . . . -40.8(4) ?
C12B C7B C8B C9B . . . . -0.2(8) ?
P1B C7B C8B C9B . . . . -179.4(4) ?
C7B C8B C9B C10B . . . . 0.5(9) ?
C8B C9B C10B C11B . . . . 0.5(11) ?
C9B C10B C11B C12B . . . . -1.9(11) ?
C8B C7B C12B C11B . . . . -1.2(9) ?
P1B C7B C12B C11B . . . . 178.0(5) ?
C10B C11B C12B C7B . . . . 2.2(11) ?
C7B P1B C13B C14B . . . . -179.1(4) ?
C1B P1B C13B C14B . . . . -73.6(4) ?
Ru1B P1B C13B C14B . . . . 53.5(4) ?
P1B C13B C14B P2B . . . . -97.8(4) ?
C15B P2B C14B C13B . . . . -177.1(3) ?
C21B P2B C14B C13B . . . . -71.0(4) ?
Ru2B P2B C14B C13B . . . . 57.2(4) ?
C21B P2B C15B C20B . . . . -148.0(4) ?
C14B P2B C15B C20B . . . . -43.4(5) ?
Ru2B P2B C15B C20B . . . . 82.6(5) ?
C21B P2B C15B C16B . . . . 37.0(5) ?
C14B P2B C15B C16B . . . . 141.6(4) ?
Ru2B P2B C15B C16B . . . . -92.3(4) ?
C20B C15B C16B C17B . . . . 0.0(8) ?
P2B C15B C16B C17B . . . . 175.2(4) ?
C15B C16B C17B C18B . . . . 0.2(9) ?
C16B C17B C18B C19B . . . . -0.7(9) ?
C17B C18B C19B C20B . . . . 1.1(9) ?
C18B C19B C20B C15B . . . . -0.9(9) ?
C16B C15B C20B C19B . . . . 0.3(8) ?
P2B C15B C20B C19B . . . . -174.7(4) ?
C15B P2B C21B C22B . . . . -125.0(5) ?
C14B P2B C21B C22B . . . . 128.6(5) ?
Ru2B P2B C21B C22B . . . . 2.2(5) ?
C15B P2B C21B C26B . . . . 55.0(5) ?
C14B P2B C21B C26B . . . . -51.3(5) ?
Ru2B P2B C21B C26B . . . . -177.7(4) ?
C26B C21B C22B C23B . . . . 1.2(9) ?
P2B C21B C22B C23B . . . . -178.7(5) ?
C21B C22B C23B C24B . . . . 0.2(11) ?
C22B C23B C24B C25B . . . . -1.5(11) ?
C23B C24B C25B C26B . . . . 1.4(11) ?
C24B C25B C26B C21B . . . . 0.0(10) ?
C22B C21B C26B C25B . . . . -1.3(9) ?
P2B C21B C26B C25B . . . . 178.6(5) ?
C39B Sb1B C27B C28B . . . . 78.7(5) ?
C33B Sb1B C27B C28B . . . . -24.9(5) ?
Ru3B Sb1B C27B C28B . . . . -158.7(4) ?
C39B Sb1B C27B C32B . . . . -100.1(4) ?
C33B Sb1B C27B C32B . . . . 156.3(4) ?
Ru3B Sb1B C27B C32B . . . . 22.5(4) ?
C32B C27B C28B C29B . . . . 2.1(9) ?
Sb1B C27B C28B C29B . . . . -176.8(5) ?
C27B C28B C29B C30B . . . . -1.1(11) ?
C28B C29B C30B C31B . . . . -0.1(10) ?
C29B C30B C31B C32B . . . . 0.3(9) ?
C30B C31B C32B C27B . . . . 0.7(9) ?
C28B C27B C32B C31B . . . . -1.9(8) ?
Sb1B C27B C32B C31B . . . . 177.0(4) ?
C39B Sb1B C33B C34B . . . . 170.1(4) ?
C27B Sb1B C33B C34B . . . . -89.4(4) ?
Ru3B Sb1B C33B C34B . . . . 37.9(4) ?
C39B Sb1B C33B C38B . . . . -19.3(4) ?
C27B Sb1B C33B C38B . . . . 81.2(4) ?
Ru3B Sb1B C33B C38B . . . . -151.5(3) ?
C38B C33B C34B C35B . . . . 0.4(7) ?
Sb1B C33B C34B C35B . . . . 171.1(4) ?
C33B C34B C35B C36B . . . . -1.0(8) ?
C34B C35B C36B C37B . . . . 1.1(8) ?
C35B C36B C37B C38B . . . . -0.7(8) ?
C36B C37B C38B C33B . . . . 0.1(8) ?
C34B C33B C38B C37B . . . . 0.0(8) ?
Sb1B C33B C38B C37B . . . . -170.6(4) ?
C27B Sb1B C39B C40B . . . . -146.7(4) ?
C33B Sb1B C39B C40B . . . . -46.7(4) ?
Ru3B Sb1B C39B C40B . . . . 90.9(4) ?
C27B Sb1B C39B C44B . . . . 40.5(4) ?
C33B Sb1B C39B C44B . . . . 140.5(3) ?
Ru3B Sb1B C39B C44B . . . . -81.9(4) ?
C44B C39B C40B C41B . . . . 0.4(7) ?
Sb1B C39B C40B C41B . . . . -172.2(4) ?
C39B C40B C41B C42B . . . . 0.7(9) ?
C40B C41B C42B C43B . . . . -1.5(9) ?
C41B C42B C43B C44B . . . . 1.1(9) ?
C42B C43B C44B C39B . . . . 0.1(8) ?
C40B C39B C44B C43B . . . . -0.9(7) ?
Sb1B C39B C44B C43B . . . . 172.2(4) ?
