#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/98/4069845.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4069845
loop_
_publ_author_name
'Lui, Ming-Chung'
'Chung, Chia-Pei'
'Chang, Wei-Chen'
'Lin, Ying-Chih'
'Wang, Yu'
'Liu, Yi-Hong'
_publ_section_title
;
 Ruthenium Allenylidene and Allylcarbene Complexes from 1,6-Diyne
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              5204
_journal_paper_doi               10.1021/om9004516
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C75 H69 F6 O0.5 P4 Ru Si'
_chemical_formula_weight         1345.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.3290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1472(3)
_cell_length_b                   15.1598(2)
_cell_length_c                   22.6842(3)
_cell_measurement_temperature    295(2)
_cell_volume                     6681.89(16)
_computing_cell_refinement
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET) 
(compiled Jan 10 2008,16:37:18) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_collection
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET) 
(compiled Jan 10 2008,16:37:18) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_reduction
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET) 
(compiled Jan 10 2008,16:37:18) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R'
_diffrn_measurement_method       CCD
_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  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            34171
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    0.408
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET) 
(compiled Jan 10 2008,16:37:18) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2780
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     790
_refine_ls_number_reflns         11929
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.294
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1369
_reflns_number_gt                8808
_reflns_number_total             11929
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9004516_si_001.cif
_cod_data_source_block           ic13253
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C75 H69 F6 O0.50 P4 Ru Si'
_cod_database_code               4069845
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.970702(11) 0.058996(15) 0.248130(10) 0.03750(10) Uani 1 1 d .
P1 P 0.79216(4) 0.35325(5) 0.18689(4) 0.0444(2) Uani 1 1 d .
P2 P 1.05966(4) 0.13752(5) 0.31076(4) 0.0443(2) Uani 1 1 d .
P3 P 1.01222(4) 0.04366(5) 0.16300(4) 0.0444(2) Uani 1 1 d .
Si1 Si 0.97045(7) 0.63056(9) 0.14833(7) 0.0918(4) Uani 1 1 d .
C1 C 0.92526(14) 0.17123(19) 0.21132(12) 0.0370(6) Uani 1 1 d .
C2 C 0.89507(15) 0.2356(2) 0.18719(13) 0.0417(7) Uani 1 1 d .
C3 C 0.86573(15) 0.31816(19) 0.15815(13) 0.0423(7) Uani 1 1 d .
H3A H 0.9014 0.3634 0.1711 0.051 Uiso 1 1 calc R
C4 C 0.84360(16) 0.3202(2) 0.08836(13) 0.0477(7) Uani 1 1 d .
C5 C 0.80572(18) 0.2522(3) 0.05563(15) 0.0620(9) Uani 1 1 d .
H5A H 0.7952 0.2034 0.0763 0.074 Uiso 1 1 calc R
C6 C 0.7830(2) 0.2553(3) -0.00760(18) 0.0804(12) Uani 1 1 d .
H6A H 0.7569 0.2094 -0.0292 0.096 Uiso 1 1 calc R
C7 C 0.7994(3) 0.3263(4) -0.03776(18) 0.0964(15) Uani 1 1 d .
H7A H 0.7846 0.3286 -0.0802 0.116 Uiso 1 1 calc R
C8 C 0.8374(2) 0.3941(3) -0.00641(17) 0.0817(12) Uani 1 1 d .
H8A H 0.8482 0.4418 -0.0279 0.098 Uiso 1 1 calc R
C9 C 0.86022(18) 0.3931(2) 0.05713(15) 0.0564(8) Uani 1 1 d .
C10 C 0.8981(2) 0.4666(3) 0.08848(17) 0.0613(9) Uani 1 1 d .
C11 C 0.9279(2) 0.5292(3) 0.1142(2) 0.0735(11) Uani 1 1 d .
C12 C 0.9767(4) 0.6262(5) 0.2300(3) 0.164(3) Uani 1 1 d .
H12A H 1.0049 0.5771 0.2479 0.247 Uiso 1 1 calc R
H12B H 0.9315 0.6194 0.2359 0.247 Uiso 1 1 calc R
H12C H 0.9969 0.6799 0.2490 0.247 Uiso 1 1 calc R
C13 C 0.9156(4) 0.7240(4) 0.1130(4) 0.179(3) Uani 1 1 d .
H13A H 0.8722 0.7203 0.1228 0.268 Uiso 1 1 calc R
H13B H 0.9082 0.7218 0.0695 0.268 Uiso 1 1 calc R
H13C H 0.9379 0.7784 0.1284 0.268 Uiso 1 1 calc R
C14 C 1.0537(4) 0.6360(7) 0.1297(5) 0.234(5) Uani 1 1 d .
H14A H 1.0817 0.5869 0.1481 0.350 Uiso 1 1 calc R
H14B H 1.0766 0.6901 0.1452 0.350 Uiso 1 1 calc R
H14C H 1.0464 0.6339 0.0862 0.350 Uiso 1 1 calc R
C15 C 0.8215(2) 0.3656(2) 0.26841(15) 0.0561(9) Uani 1 1 d .
C16 C 0.8894(2) 0.3879(3) 0.29605(17) 0.0752(11) Uani 1 1 d .
H16A H 0.9207 0.3943 0.2727 0.090 Uiso 1 1 calc R
C17 C 0.9101(3) 0.4005(3) 0.3587(2) 0.0986(16) Uani 1 1 d .
H17A H 0.9551 0.4168 0.3779 0.118 Uiso 1 1 calc R
C18 C 0.8618(4) 0.3882(3) 0.3926(2) 0.1020(18) Uani 1 1 d .
H18A H 0.8756 0.3956 0.4348 0.122 Uiso 1 1 calc R
C19 C 0.7965(4) 0.3661(3) 0.3659(2) 0.0959(16) Uani 1 1 d .
H19A H 0.7655 0.3584 0.3894 0.115 Uiso 1 1 calc R
C20 C 0.7751(2) 0.3548(2) 0.30299(18) 0.0711(11) Uani 1 1 d .
H20A H 0.7296 0.3399 0.2842 0.085 Uiso 1 1 calc R
C21 C 0.72297(16) 0.2752(2) 0.16933(15) 0.0504(8) Uani 1 1 d .
C22 C 0.73625(19) 0.1853(2) 0.17358(16) 0.0604(9) Uani 1 1 d .
H22A H 0.7814 0.1651 0.1852 0.073 Uiso 1 1 calc R
C23 C 0.6828(2) 0.1262(3) 0.16063(19) 0.0718(11) Uani 1 1 d .
H23A H 0.6918 0.0660 0.1620 0.086 Uiso 1 1 calc R
C24 C 0.6160(2) 0.1558(3) 0.1456(2) 0.0788(12) Uani 1 1 d .
H24A H 0.5799 0.1156 0.1364 0.095 Uiso 1 1 calc R
C25 C 0.6025(2) 0.2442(3) 0.1442(2) 0.0804(12) Uani 1 1 d .
H25A H 0.5573 0.2638 0.1363 0.096 Uiso 1 1 calc R
C26 C 0.65562(18) 0.3048(2) 0.15437(18) 0.0677(10) Uani 1 1 d .
H26A H 0.6462 0.3649 0.1512 0.081 Uiso 1 1 calc R
C27 C 0.76269(16) 0.4580(2) 0.15325(15) 0.0477(7) Uani 1 1 d .
C28 C 0.78008(18) 0.5342(2) 0.18683(17) 0.0565(8) Uani 1 1 d .
H28A H 0.8038 0.5309 0.2279 0.068 Uiso 1 1 calc R
C29 C 0.7624(2) 0.6153(2) 0.1597(2) 0.0744(11) Uani 1 1 d .
H29A H 0.7739 0.6666 0.1826 0.089 Uiso 1 1 calc R
C30 C 0.7277(2) 0.6203(3) 0.0988(2) 0.0784(12) Uani 1 1 d .
H30A H 0.7158 0.6750 0.0806 0.094 Uiso 1 1 calc R
C31 C 0.7109(2) 0.5457(3) 0.0651(2) 0.0728(11) Uani 1 1 d .
H31A H 0.6882 0.5496 0.0237 0.087 Uiso 1 1 calc R
C32 C 0.72719(18) 0.4642(2) 0.09193(17) 0.0593(9) Uani 1 1 d .
H32A H 0.7144 0.4132 0.0689 0.071 Uiso 1 1 calc R
C33 C 0.8921(3) 0.0251(3) 0.2964(3) 0.0855(14) Uani 1 1 d .
H33A H 0.8659 0.0673 0.3141 0.103 Uiso 1 1 calc R
C34 C 0.8717(2) -0.0097(3) 0.2388(3) 0.0843(14) Uani 1 1 d .
H34A H 0.8284 0.0029 0.2082 0.101 Uiso 1 1 calc R
C35 C 0.9202(3) -0.0718(3) 0.2336(2) 0.0814(14) Uani 1 1 d .
H35A H 0.9173 -0.1109 0.1986 0.098 Uiso 1 1 calc R
C36 C 0.9698(2) -0.0761(3) 0.2903(3) 0.0812(14) Uani 1 1 d .
H36A H 1.0084 -0.1175 0.3022 0.097 Uiso 1 1 calc R
C37 C 0.9502(3) -0.0160(4) 0.32654(19) 0.0842(14) Uani 1 1 d .
H37A H 0.9741 -0.0058 0.3696 0.101 Uiso 1 1 calc R
C38 C 1.04365(17) 0.1442(2) 0.38712(15) 0.0555(8) Uani 1 1 d .
C39 C 0.98315(18) 0.1870(2) 0.38936(16) 0.0601(9) Uani 1 1 d .
H39A H 0.9559 0.2140 0.3545 0.072 Uiso 1 1 calc R
C40 C 0.9635(2) 0.1894(3) 0.44338(18) 0.0769(12) Uani 1 1 d .
H40A H 0.9235 0.2192 0.4446 0.092 Uiso 1 1 calc R
C41 C 1.0014(3) 0.1490(4) 0.4944(2) 0.1003(16) Uani 1 1 d .
H41A H 0.9870 0.1492 0.5301 0.120 Uiso 1 1 calc R
C42 C 1.0616(2) 0.1078(5) 0.49263(19) 0.119(2) Uani 1 1 d .
H42A H 1.0881 0.0802 0.5276 0.142 Uiso 1 1 calc R
C43 C 1.0831(2) 0.1067(4) 0.43992(17) 0.0907(15) Uani 1 1 d .
H43A H 1.1248 0.0803 0.4400 0.109 Uiso 1 1 calc R
C44 C 1.14517(16) 0.0874(2) 0.32319(15) 0.0513(8) Uani 1 1 d .
C45 C 1.15847(19) 0.0049(3) 0.34890(18) 0.0692(10) Uani 1 1 d .
H45A H 1.1248 -0.0234 0.3632 0.083 Uiso 1 1 calc R
C46 C 1.2211(2) -0.0372(3) 0.3540(2) 0.0866(13) Uani 1 1 d .
H46A H 1.2303 -0.0914 0.3736 0.104 Uiso 1 1 calc R
C47 C 1.2692(2) 0.0025(4) 0.3298(2) 0.0918(15) Uani 1 1 d .
H47A H 1.3106 -0.0260 0.3316 0.110 Uiso 1 1 calc R
C48 C 1.2566(2) 0.0834(4) 0.3031(2) 0.0844(13) Uani 1 1 d .
H48A H 1.2893 0.1097 0.2866 0.101 Uiso 1 1 calc R
C49 C 1.19552(17) 0.1265(3) 0.30029(16) 0.0622(9) Uani 1 1 d .
H49A H 1.1880 0.1824 0.2829 0.075 Uiso 1 1 calc R
C50 C 1.07815(16) 0.2542(2) 0.30127(16) 0.0524(8) Uani 1 1 d .
C51 C 1.1150(2) 0.3020(3) 0.3512(2) 0.0824(12) Uani 1 1 d .
H51A H 1.1295 0.2746 0.3892 0.099 Uiso 1 1 calc R
C52 C 1.1306(3) 0.3898(3) 0.3456(3) 0.1052(17) Uani 1 1 d .
H52A H 1.1560 0.4205 0.3796 0.126 Uiso 1 1 calc R
C53 C 1.1092(3) 0.4318(3) 0.2910(3) 0.1014(17) Uani 1 1 d .
H53A H 1.1188 0.4913 0.2877 0.122 Uiso 1 1 calc R
C54 C 1.0730(2) 0.3849(3) 0.2404(2) 0.0796(12) Uani 1 1 d .
H54A H 1.0587 0.4127 0.2026 0.096 Uiso 1 1 calc R
C55 C 1.05799(18) 0.2970(2) 0.24582(17) 0.0589(9) Uani 1 1 d .
H55A H 1.0339 0.2660 0.2114 0.071 Uiso 1 1 calc R
C56 C 1.08252(19) -0.0355(2) 0.16619(16) 0.0565(9) Uani 1 1 d .
C57 C 1.10242(19) -0.0933(2) 0.21355(17) 0.0647(9) Uani 1 1 d .
H57A H 1.0807 -0.0927 0.2450 0.078 Uiso 1 1 calc R
C58 C 1.1551(2) -0.1534(3) 0.2152(2) 0.0894(13) Uani 1 1 d .
H58A H 1.1685 -0.1926 0.2477 0.107 Uiso 1 1 calc R
C59 C 1.1872(3) -0.1549(3) 0.1692(3) 0.1097(18) Uani 1 1 d .
H59A H 1.2226 -0.1948 0.1705 0.132 Uiso 1 1 calc R
C60 C 1.1672(3) -0.0981(4) 0.1215(3) 0.120(2) Uani 1 1 d .
H60A H 1.1887 -0.0999 0.0899 0.144 Uiso 1 1 calc R
C61 C 1.1160(3) -0.0386(3) 0.1194(2) 0.0889(15) Uani 1 1 d .
H61A H 1.1031 0.0004 0.0867 0.107 Uiso 1 1 calc R
C62 C 0.94300(18) 0.0016(2) 0.09913(14) 0.0504(8) Uani 1 1 d .
C63 C 0.9516(2) -0.0647(2) 0.06005(17) 0.0700(11) Uani 1 1 d .
H63A H 0.9954 -0.0876 0.0640 0.084 Uiso 1 1 calc R
C64 C 0.8975(3) -0.0976(3) 0.01554(19) 0.0910(14) Uani 1 1 d .
H64A H 0.9050 -0.1423 -0.0101 0.109 Uiso 1 1 calc R
C65 C 0.8340(3) -0.0662(3) 0.00865(18) 0.0889(15) Uani 1 1 d .
H65A H 0.7974 -0.0899 -0.0212 0.107 Uiso 1 1 calc R
C66 C 0.8221(2) 0.0018(3) 0.04578(18) 0.0832(12) Uani 1 1 d .
H66A H 0.7781 0.0246 0.0407 0.100 Uiso 1 1 calc R
C67 C 0.8776(2) 0.0348(3) 0.09072(16) 0.0665(10) Uani 1 1 d .
H67A H 0.8703 0.0804 0.1157 0.080 Uiso 1 1 calc R
C68 C 1.04306(17) 0.1402(2) 0.12930(14) 0.0486(8) Uani 1 1 d .
C69 C 0.9981(2) 0.1957(2) 0.08921(16) 0.0618(9) Uani 1 1 d .
H69A H 0.9516 0.1816 0.0761 0.074 Uiso 1 1 calc R
C70 C 1.0223(3) 0.2721(3) 0.0686(2) 0.0807(12) Uani 1 1 d .
H70A H 0.9915 0.3097 0.0426 0.097 Uiso 1 1 calc R
C71 C 1.0908(3) 0.2930(3) 0.0858(2) 0.0850(13) Uani 1 1 d .
H71A H 1.1065 0.3438 0.0708 0.102 Uiso 1 1 calc R
C72 C 1.1359(2) 0.2390(3) 0.1252(2) 0.0772(12) Uani 1 1 d .
H72A H 1.1825 0.2532 0.1374 0.093 Uiso 1 1 calc R
C73 C 1.11241(19) 0.1634(3) 0.14687(16) 0.0633(9) Uani 1 1 d .
H73A H 1.1435 0.1272 0.1738 0.076 Uiso 1 1 calc R
P4 P 0.13665(7) 0.71929(12) 0.41015(6) 0.1009(5) Uani 1 1 d .
F1 F 0.0661(2) 0.6892(5) 0.4070(4) 0.313(5) Uani 1 1 d .
F2 F 0.2070(2) 0.7478(4) 0.4105(4) 0.257(3) Uani 1 1 d .
F3 F 0.1213(4) 0.8166(4) 0.4247(4) 0.268(3) Uani 1 1 d .
F4 F 0.1151(5) 0.7573(6) 0.3489(3) 0.321(5) Uani 1 1 d .
F5 F 0.1542(4) 0.6296(4) 0.3969(4) 0.293(4) Uani 1 1 d .
F6 F 0.1541(4) 0.7013(5) 0.4753(2) 0.281(3) Uani 1 1 d .
O1 O 0.5000 0.0000 0.0000 0.305(6) Uani 1 2 d SU
C74 C 0.5599(7) 0.0438(13) -0.0205(6) 0.353(7) Uani 1 1 d U
H74A H 0.5343 0.0782 -0.0551 0.424 Uiso 1 1 calc R
H74B H 0.5769 -0.0063 -0.0388 0.424 Uiso 1 1 calc R
C75 C 0.6372(6) 0.1087(10) 0.0033(3) 0.293(6) Uani 1 1 d U
H75A H 0.6616 0.1068 -0.0277 0.439 Uiso 1 1 calc R
H75B H 0.6658 0.0852 0.0408 0.439 Uiso 1 1 calc R
H75C H 0.6254 0.1686 0.0096 0.439 Uiso 1 1 calc R
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
C1 Ru1 C34 93.37(14) .
C1 Ru1 C33 95.47(16) .
C34 Ru1 C33 36.03(18) .
C1 Ru1 C35 123.81(18) .
C34 Ru1 C35 36.45(17) .
C33 Ru1 C35 60.24(16) .
C1 Ru1 C37 126.97(18) .
C34 Ru1 C37 59.04(16) .
C33 Ru1 C37 35.12(17) .
C35 Ru1 C37 59.26(16) .
C1 Ru1 C36 152.85(13) .
C34 Ru1 C36 60.41(15) .
C33 Ru1 C36 59.56(16) .
C35 Ru1 C36 36.61(17) .
C37 Ru1 C36 34.99(17) .
C1 Ru1 P2 90.77(8) .
C34 Ru1 P2 146.96(16) .
C33 Ru1 P2 110.94(16) .
C35 Ru1 P2 143.83(15) .
C37 Ru1 P2 92.83(11) .
C36 Ru1 P2 107.39(14) .
C1 Ru1 P3 87.92(7) .
C34 Ru1 P3 112.93(16) .
C33 Ru1 P3 148.83(16) .
C35 Ru1 P3 92.28(11) .
C37 Ru1 P3 142.78(16) .
C36 Ru1 P3 107.91(14) .
P2 Ru1 P3 99.96(3) .
C21 P1 C27 109.85(15) .
C21 P1 C15 108.81(16) .
C27 P1 C15 109.13(15) .
C21 P1 C3 112.40(14) .
C27 P1 C3 108.12(14) .
C15 P1 C3 108.47(15) .
C50 P2 C44 101.91(15) .
C50 P2 C38 98.56(16) .
C44 P2 C38 105.55(15) .
C50 P2 Ru1 125.17(11) .
C44 P2 Ru1 115.25(11) .
C38 P2 Ru1 107.85(11) .
C68 P3 C62 102.63(14) .
C68 P3 C56 101.23(15) .
C62 P3 C56 102.69(16) .
C68 P3 Ru1 120.36(10) .
C62 P3 Ru1 109.06(10) .
C56 P3 Ru1 118.49(12) .
C12 Si1 C11 107.4(3) .
C12 Si1 C14 114.4(4) .
C11 Si1 C14 107.1(3) .
C12 Si1 C13 109.9(4) .
C11 Si1 C13 107.6(3) .
C14 Si1 C13 110.1(5) .
C2 C1 Ru1 176.3(3) .
C1 C2 C3 173.7(3) .
C2 C3 C4 117.2(2) .
C2 C3 P1 110.7(2) .
C4 C3 P1 108.5(2) .
C5 C4 C9 119.4(3) .
C5 C4 C3 120.8(3) .
C9 C4 C3 119.8(3) .
C4 C5 C6 121.1(4) .
C7 C6 C5 119.2(4) .
C6 C7 C8 120.7(4) .
C7 C8 C9 121.2(4) .
C8 C9 C4 118.3(4) .
C8 C9 C10 119.6(4) .
C4 C9 C10 122.1(3) .
C11 C10 C9 178.1(4) .
C10 C11 Si1 175.5(4) .
C20 C15 C16 120.5(4) .
C20 C15 P1 119.0(3) .
C16 C15 P1 120.5(3) .
C17 C16 C15 119.4(5) .
C16 C17 C18 118.7(5) .
C19 C18 C17 121.8(5) .
C18 C19 C20 119.9(5) .
C15 C20 C19 119.8(5) .
C26 C21 C22 119.6(3) .
C26 C21 P1 119.7(3) .
C22 C21 P1 120.6(3) .
C23 C22 C21 120.1(3) .
C22 C23 C24 120.2(4) .
C25 C24 C23 120.1(4) .
C24 C25 C26 120.6(4) .
C25 C26 C21 119.4(3) .
C28 C27 C32 119.1(3) .
C28 C27 P1 120.0(3) .
C32 C27 P1 120.7(2) .
C27 C28 C29 120.2(4) .
C30 C29 C28 120.0(4) .
C31 C30 C29 120.4(4) .
C30 C31 C32 120.2(4) .
C31 C32 C27 120.2(4) .
C37 C33 C34 108.0(4) .
C37 C33 Ru1 73.6(2) .
C34 C33 Ru1 71.9(2) .
C33 C34 C35 107.7(4) .
C33 C34 Ru1 72.1(2) .
C35 C34 Ru1 71.9(2) .
C34 C35 C36 107.5(4) .
C34 C35 Ru1 71.6(2) .
C36 C35 Ru1 73.6(2) .
C37 C36 C35 105.8(4) .
C37 C36 Ru1 71.6(2) .
C35 C36 Ru1 69.8(2) .
C33 C37 C36 111.0(4) .
C33 C37 Ru1 71.3(2) .
C36 C37 Ru1 73.4(2) .
C43 C38 C39 118.1(3) .
C43 C38 P2 126.3(3) .
C39 C38 P2 115.5(3) .
C40 C39 C38 120.2(3) .
C41 C40 C39 121.1(4) .
C40 C41 C42 118.9(4) .
C41 C42 C43 120.9(4) .
C38 C43 C42 120.8(4) .
C45 C44 C49 117.8(3) .
C45 C44 P2 120.8(3) .
C49 C44 P2 120.9(3) .
C44 C45 C46 121.5(4) .
C47 C46 C45 119.1(4) .
C48 C47 C46 120.3(4) .
C47 C48 C49 120.5(4) .
C48 C49 C44 120.7(4) .
C55 C50 C51 117.8(3) .
C55 C50 P2 122.8(3) .
C51 C50 P2 119.4(3) .
C52 C51 C50 120.9(4) .
C53 C52 C51 120.8(4) .
C52 C53 C54 119.1(4) .
C55 C54 C53 120.2(5) .
C50 C55 C54 121.2(4) .
C57 C56 C61 118.5(3) .
C57 C56 P3 120.9(3) .
C61 C56 P3 120.7(3) .
C56 C57 C58 120.4(4) .
C59 C58 C57 120.2(4) .
C60 C59 C58 119.8(4) .
C59 C60 C61 120.7(4) .
C60 C61 C56 120.5(4) .
C67 C62 C63 117.1(3) .
C67 C62 P3 118.8(2) .
C63 C62 P3 124.1(3) .
C64 C63 C62 121.8(4) .
C65 C64 C63 120.5(4) .
C64 C65 C66 120.4(4) .
C65 C66 C67 118.5(5) .
C62 C67 C66 121.6(4) .
C69 C68 C73 117.9(3) .
C69 C68 P3 121.5(3) .
C73 C68 P3 120.5(3) .
C70 C69 C68 120.1(4) .
C71 C70 C69 121.1(4) .
C72 C71 C70 119.6(4) .
C71 C72 C73 120.0(4) .
C72 C73 C68 121.4(4) .
F6 P4 F5 91.5(5) .
F6 P4 F4 166.9(5) .
F5 P4 F4 101.6(5) .
F6 P4 F1 87.9(4) .
F5 P4 F1 89.1(4) .
F4 P4 F1 92.0(5) .
F6 P4 F2 94.3(4) .
F5 P4 F2 89.4(4) .
F4 P4 F2 86.2(4) .
F1 P4 F2 177.4(5) .
F6 P4 F3 88.3(4) .
F5 P4 F3 177.5(4) .
F4 P4 F3 78.6(4) .
F1 P4 F3 93.4(4) .
F2 P4 F3 88.1(4) .
C74 O1 C74 179.998(3) 3_655
O1 C74 C75 145.4(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.007(3) .
Ru1 C34 2.209(4) .
Ru1 C33 2.211(4) .
Ru1 C35 2.213(3) .
Ru1 C37 2.239(4) .
Ru1 C36 2.262(4) .
Ru1 P2 2.3024(8) .
Ru1 P3 2.3102(8) .
P1 C21 1.791(3) .
P1 C27 1.794(3) .
P1 C15 1.796(3) .
P1 C3 1.848(3) .
P2 C50 1.832(3) .
P2 C44 1.835(3) .
P2 C38 1.847(3) .
P3 C68 1.835(3) .
P3 C62 1.839(3) .
P3 C56 1.843(3) .
Si1 C12 1.824(7) .
Si1 C11 1.828(5) .
Si1 C14 1.837(6) .
Si1 C13 1.844(7) .
C1 C2 1.203(4) .
C2 C3 1.464(4) .
C3 C4 1.527(4) .
C4 C5 1.377(5) .
C4 C9 1.400(5) .
C5 C6 1.386(5) .
C6 C7 1.363(6) .
C7 C8 1.363(7) .
C8 C9 1.392(5) .
C9 C10 1.430(6) .
C10 C11 1.190(5) .
C15 C20 1.379(5) .
C15 C16 1.388(5) .
C16 C17 1.384(6) .
C17 C18 1.403(8) .
C18 C19 1.338(7) .
C19 C20 1.387(6) .
C21 C26 1.384(5) .
C21 C22 1.387(5) .
C22 C23 1.371(5) .
C23 C24 1.374(6) .
C24 C25 1.366(6) .
C25 C26 1.382(5) .
C27 C28 1.376(5) .
C27 C32 1.389(5) .
C28 C29 1.379(5) .
C29 C30 1.376(6) .
C30 C31 1.357(6) .
C31 C32 1.377(5) .
C33 C37 1.343(7) .
C33 C34 1.367(7) .
C34 C35 1.383(6) .
C35 C36 1.406(7) .
C36 C37 1.354(7) .
C38 C43 1.373(5) .
C38 C39 1.394(5) .
C39 C40 1.385(5) .
C40 C41 1.353(6) .
C41 C42 1.375(6) .
C42 C43 1.375(6) .
C44 C45 1.376(5) .
C44 C49 1.389(5) .
C45 C46 1.392(5) .
C46 C47 1.373(7) .
C47 C48 1.362(7) .
C48 C49 1.380(5) .
C50 C55 1.378(5) .
C50 C51 1.384(5) .
C51 C52 1.382(6) .
C52 C53 1.357(7) .
C53 C54 1.383(7) .
C54 C55 1.379(5) .
C56 C57 1.362(5) .
C56 C61 1.400(5) .
C57 C58 1.392(5) .
C58 C59 1.365(6) .
C59 C60 1.358(7) .
C60 C61 1.363(6) .
C62 C67 1.376(5) .
C62 C63 1.381(5) .
C63 C64 1.370(6) .
C64 C65 1.335(7) .
C65 C66 1.391(6) .
C66 C67 1.392(5) .
C68 C69 1.385(5) .
C68 C73 1.393(5) .
C69 C70 1.385(5) .
C70 C71 1.368(6) .
C71 C72 1.365(6) .
C72 C73 1.379(5) .
P4 F6 1.452(5) .
P4 F5 1.456(5) .
P4 F4 1.460(5) .
P4 F1 1.477(5) .
P4 F2 1.480(5) .
P4 F3 1.561(6) .
O1 C74 1.553(16) 3_655
O1 C74 1.553(16) .
C74 C75 1.799(18) .
