#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/08/4080800.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_4080800
loop_
_publ_author_name
'Trathen, Nicola'
'Greenacre, Victoria K.'
'Crossley, Ian R.'
'Roe, S. Mark'
_publ_section_title
;
 Ambiphilic Reactivity of a Ruthenaphosphaalkenyl: Synthesis
 ofP-Pyrazolylphosphaalkene Complexes of Ruthenium(0)
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2501
_journal_paper_doi               10.1021/om4001988
_journal_volume                  32
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C47 H45 Cl2 Hg O P3 Ru Si, 1.5(C7 H8) '
_chemical_formula_sum            'C57.5 H57 Cl2 Hg O P3 Ru Si'
_chemical_formula_weight         1257.59
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2013-02-08T16:46:57-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.3576(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.3342(2)
_cell_length_b                   11.92180(10)
_cell_length_c                   43.0554(5)
_cell_measurement_reflns_used    14624
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_measurement_wavelength     0.71073
_cell_volume                     10608.77(18)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.392556E-1
_diffrn_orient_matrix_UB_12      0.442742E-1
_diffrn_orient_matrix_UB_13      -0.10128E-2
_diffrn_orient_matrix_UB_21      0.143144E-1
_diffrn_orient_matrix_UB_22      0
_diffrn_orient_matrix_UB_23      0.23945E-1
_diffrn_orient_matrix_UB_31      0.243954E-1
_diffrn_orient_matrix_UB_32      -0.712435E-1
_diffrn_orient_matrix_UB_33      -0.6294E-3
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1016
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            91405
_diffrn_reflns_theta_full        27.19
_diffrn_reflns_theta_max         27.19
_diffrn_reflns_theta_min         3.42
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    3.429
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.5418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5016
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.859
_refine_diff_density_min         -0.85
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         11651
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0562P)²+16.6042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                8627
_reflns_number_total             11651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4001988_si_002.cif
_cod_data_source_block           vg58
_cod_original_cell_volume        10608.75(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C57.50 H57 Cl2 Hg O P3 Ru Si'
_cod_database_code               4080800
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C1 C 0.2590(2) 0.9739(4) 0.31557(12) 0.0283(11) Uani 1 1 d .
C2 C 0.4111(2) 0.9035(4) 0.32920(12) 0.0343(12) Uani 1 1 d .
H2 H 0.382 0.9179 0.309 0.041 Uiso 1 1 calc R
C3 C 0.5401(3) 0.7875(6) 0.36459(15) 0.0565(17) Uani 1 1 d .
H3A H 0.5823 0.7636 0.3618 0.085 Uiso 1 1 calc R
H3B H 0.5166 0.7222 0.3697 0.085 Uiso 1 1 calc R
H3C H 0.5464 0.8419 0.3822 0.085 Uiso 1 1 calc R
C4 C 0.4770(3) 0.7471(6) 0.29452(16) 0.0611(18) Uani 1 1 d .
H4A H 0.5183 0.7175 0.2921 0.092 Uiso 1 1 calc R
H4B H 0.4533 0.7811 0.2743 0.092 Uiso 1 1 calc R
H4C H 0.4513 0.6858 0.3002 0.092 Uiso 1 1 calc R
C5 C 0.5375(3) 0.9753(6) 0.31620(18) 0.0644(19) Uani 1 1 d .
H5A H 0.5806 0.9506 0.3149 0.097 Uiso 1 1 calc R
H5B H 0.5419 1.0332 0.3327 0.097 Uiso 1 1 calc R
H5C H 0.5141 1.0061 0.2955 0.097 Uiso 1 1 calc R
C6 C 0.5266(2) 0.8936(5) 0.45465(13) 0.0381(13) Uani 1 1 d .
C7 C 0.5564(3) 0.7940(6) 0.46399(15) 0.0542(16) Uani 1 1 d .
H7 H 0.543 0.7297 0.451 0.065 Uiso 1 1 calc R
C8 C 0.6055(3) 0.7828(6) 0.49173(15) 0.0590(17) Uani 1 1 d .
H8 H 0.6253 0.7119 0.4975 0.071 Uiso 1 1 calc R
C9 C 0.6250(3) 0.8742(6) 0.51059(14) 0.0536(17) Uani 1 1 d .
H9 H 0.6583 0.8668 0.5298 0.064 Uiso 1 1 calc R
C10 C 0.5971(3) 0.9770(6) 0.50214(13) 0.0537(16) Uani 1 1 d .
H10 H 0.6114 1.0411 0.5151 0.064 Uiso 1 1 calc R
C11 C 0.5473(3) 0.9863(6) 0.47429(13) 0.0485(15) Uani 1 1 d .
H11 H 0.5271 1.057 0.4686 0.058 Uiso 1 1 calc R
C12 C 0.3295(2) 0.6708(4) 0.36695(12) 0.0292(11) Uani 1 1 d .
C13 C 0.3552(3) 0.6061(4) 0.34619(14) 0.0396(13) Uani 1 1 d .
H13 H 0.3354 0.6061 0.3238 0.047 Uiso 1 1 calc R
C14 C 0.4102(3) 0.5410(5) 0.35841(16) 0.0481(15) Uani 1 1 d .
H14 H 0.4276 0.4971 0.3442 0.058 Uiso 1 1 calc R
C15 C 0.4395(3) 0.5394(5) 0.39044(16) 0.0501(15) Uani 1 1 d .
H15 H 0.4768 0.4944 0.3984 0.06 Uiso 1 1 calc R
C16 C 0.4148(3) 0.6025(5) 0.41085(16) 0.0478(15) Uani 1 1 d .
H16 H 0.4353 0.602 0.4331 0.057 Uiso 1 1 calc R
C17 C 0.3599(2) 0.6679(4) 0.39945(13) 0.0371(12) Uani 1 1 d .
H17 H 0.343 0.711 0.4141 0.045 Uiso 1 1 calc R
C18 C 0.2148(2) 0.7219(4) 0.31443(11) 0.0269(10) Uani 1 1 d .
C19 C 0.2466(3) 0.7259(4) 0.28949(12) 0.0351(12) Uani 1 1 d .
H19 H 0.2907 0.7481 0.2939 0.042 Uiso 1 1 calc R
C20 C 0.2142(3) 0.6979(4) 0.25860(12) 0.0435(14) Uani 1 1 d .
H20 H 0.2364 0.6985 0.242 0.052 Uiso 1 1 calc R
C21 C 0.1502(3) 0.6692(5) 0.25179(12) 0.0459(14) Uani 1 1 d .
H21 H 0.1283 0.6492 0.2305 0.055 Uiso 1 1 calc R
C22 C 0.1171(3) 0.6689(5) 0.27555(13) 0.0451(14) Uani 1 1 d .
H22 H 0.0724 0.6504 0.2705 0.054 Uiso 1 1 calc R
C23 C 0.1490(2) 0.6957(4) 0.30684(12) 0.0331(11) Uani 1 1 d .
H23 H 0.1261 0.6961 0.3231 0.04 Uiso 1 1 calc R
C24 C 0.2092(2) 0.6918(4) 0.38038(11) 0.0261(10) Uani 1 1 d .
C25 C 0.1971(2) 0.5776(4) 0.37544(12) 0.0296(11) Uani 1 1 d .
H25 H 0.2095 0.5405 0.3584 0.035 Uiso 1 1 calc R
C26 C 0.1672(2) 0.5181(4) 0.39518(12) 0.0360(12) Uani 1 1 d .
H26 H 0.1587 0.4403 0.3917 0.043 Uiso 1 1 calc R
C27 C 0.1498(2) 0.5718(5) 0.41994(13) 0.0383(13) Uani 1 1 d .
H27 H 0.1291 0.5307 0.4335 0.046 Uiso 1 1 calc R
C28 C 0.1617(2) 0.6848(5) 0.42544(12) 0.0367(12) Uani 1 1 d .
H28 H 0.1495 0.721 0.4427 0.044 Uiso 1 1 calc R
C29 C 0.1920(2) 0.7457(4) 0.40542(11) 0.0300(11) Uani 1 1 d .
H29 H 0.2006 0.8234 0.409 0.036 Uiso 1 1 calc R
C30 C 0.2750(2) 1.2299(4) 0.40026(11) 0.0278(10) Uani 1 1 d .
C31 C 0.2273(2) 1.1876(4) 0.41370(12) 0.0362(12) Uani 1 1 d .
H31 H 0.2041 1.1219 0.4052 0.043 Uiso 1 1 calc R
C32 C 0.2136(3) 1.2427(5) 0.43986(13) 0.0450(14) Uani 1 1 d .
H32 H 0.1805 1.2145 0.4489 0.054 Uiso 1 1 calc R
C33 C 0.2473(3) 1.3368(5) 0.45270(13) 0.0439(14) Uani 1 1 d .
H33 H 0.2383 1.3722 0.4709 0.053 Uiso 1 1 calc R
C34 C 0.2944(3) 1.3797(5) 0.43905(13) 0.0419(13) Uani 1 1 d .
H34 H 0.3176 1.4452 0.4477 0.05 Uiso 1 1 calc R
C35 C 0.3078(2) 1.3271(4) 0.41274(12) 0.0342(11) Uani 1 1 d .
H35 H 0.3397 1.3577 0.4032 0.041 Uiso 1 1 calc R
C36 C 0.3748(2) 1.1960(4) 0.36692(11) 0.0282(10) Uani 1 1 d .
C37 C 0.4216(2) 1.1882(4) 0.39618(12) 0.0335(11) Uani 1 1 d .
H37 H 0.4089 1.1707 0.4153 0.04 Uiso 1 1 calc R
C38 C 0.4864(2) 1.2062(5) 0.39727(13) 0.0407(13) Uani 1 1 d .
H38 H 0.5179 1.2015 0.4172 0.049 Uiso 1 1 calc R
C39 C 0.5055(2) 1.2307(5) 0.36965(14) 0.0443(14) Uani 1 1 d .
H39 H 0.5499 1.2437 0.3706 0.053 Uiso 1 1 calc R
C40 C 0.4605(2) 1.2363(5) 0.34085(14) 0.0418(13) Uani 1 1 d .
H40 H 0.4739 1.2528 0.3219 0.05 Uiso 1 1 calc R
C41 C 0.3956(2) 1.2179(4) 0.33911(12) 0.0320(11) Uani 1 1 d .
H41 H 0.365 1.2202 0.3189 0.038 Uiso 1 1 calc R
C42 C 0.2433(2) 1.2427(4) 0.33125(11) 0.0272(10) Uani 1 1 d .
C43 C 0.1866(2) 1.1978(4) 0.31199(12) 0.0313(11) Uani 1 1 d .
H43 H 0.1721 1.1261 0.3168 0.038 Uiso 1 1 calc R
C44 C 0.1512(2) 1.2571(5) 0.28582(13) 0.0388(13) Uani 1 1 d .
H44 H 0.1129 1.2256 0.2726 0.047 Uiso 1 1 calc R
C45 C 0.1715(3) 1.3620(5) 0.27895(13) 0.0397(13) Uani 1 1 d .
H45 H 0.1475 1.4022 0.2608 0.048 Uiso 1 1 calc R
C46 C 0.2263(3) 1.4083(4) 0.29829(14) 0.0401(13) Uani 1 1 d .
H46 H 0.2398 1.4811 0.2937 0.048 Uiso 1 1 calc R
C47 C 0.2622(2) 1.3490(4) 0.32464(12) 0.0322(11) Uani 1 1 d .
H47 H 0.2998 1.3819 0.3381 0.039 Uiso 1 1 calc R
C101 C 0.4972(5) 0.6205(9) 0.5288(2) 0.119(4) Uani 1 1 d .
H10A H 0.5128 0.6724 0.5147 0.178 Uiso 1 1 calc R
H10B H 0.5136 0.545 0.5265 0.178 Uiso 1 1 calc R
H10C H 0.5126 0.6453 0.5511 0.178 Uiso 1 1 calc R
C102 C 0.4267(4) 0.6189(7) 0.5199(2) 0.076(2) Uani 1 1 d .
C103 C 0.3905(4) 0.5537(6) 0.53538(19) 0.072(2) Uani 1 1 d .
H103 H 0.4122 0.5092 0.5531 0.087 Uiso 1 1 calc R
C104 C 0.3227(5) 0.5509(7) 0.5259(2) 0.091(3) Uani 1 1 d .
H104 H 0.2991 0.505 0.537 0.109 Uiso 1 1 calc R
C105 C 0.2912(5) 0.6136(8) 0.5007(2) 0.089(3) Uani 1 1 d .
H105 H 0.2454 0.6117 0.4937 0.107 Uiso 1 1 calc R
C106 C 0.3269(5) 0.6807(7) 0.48547(18) 0.078(2) Uani 1 1 d .
H106 H 0.3043 0.7251 0.4679 0.094 Uiso 1 1 calc R
C107 C 0.3924(5) 0.6871(7) 0.49395(17) 0.083(2) Uani 1 1 d .
H107 H 0.4149 0.7356 0.4829 0.1 Uiso 1 1 calc R
C111 C 0.1118(6) 0.9641(11) 0.2291(3) 0.061(4) Uani 0.5 1 d PD
H11A H 0.1025 0.9629 0.2056 0.091 Uiso 0.5 1 calc PR
H11B H 0.1411 0.9022 0.2379 0.091 Uiso 0.5 1 calc PR
H11C H 0.1323 1.0355 0.2371 0.091 Uiso 0.5 1 calc PR
C112 C 0.0547(3) 0.9523(6) 0.2386(2) 0.073(2) Uani 1 1 d D
C113 C 0.0610(4) 0.9518(6) 0.2707(2) 0.071(2) Uani 1 1 d D
H113 H 0.1028 0.951 0.285 0.085 Uiso 1 1 calc R
C114 C 0.0076(4) 0.9524(6) 0.2826(2) 0.072(2) Uani 1 1 d D
H114 H 0.0122 0.9529 0.3051 0.087 Uiso 1 1 calc R
Cl2 Cl 0.31285(5) 0.94572(10) 0.41845(3) 0.0303(3) Uani 1 1 d .
Cl1 Cl 0.15978(5) 0.97251(11) 0.35917(3) 0.0348(3) Uani 1 1 d .
Hg1 Hg 0.455253(9) 0.909534(19) 0.411787(5) 0.03744(8) Uani 1 1 d .
O1 O 0.25262(18) 0.9841(3) 0.28867(9) 0.0415(9) Uani 1 1 d .
P1 P 0.38051(6) 0.92685(10) 0.36053(3) 0.0263(3) Uani 1 1 d .
P2 P 0.25688(6) 0.76059(10) 0.35550(3) 0.0249(3) Uani 1 1 d .
P3 P 0.29079(5) 1.15916(10) 0.36492(3) 0.0253(3) Uani 1 1 d .
Ru1 Ru 0.275831(16) 0.95904(3) 0.359511(9) 0.02265(10) Uani 1 1 d .
Si1 Si 0.49221(7) 0.85437(13) 0.32661(4) 0.0384(4) Uani 1 1 d .
H112 H 0.0917(10) 0.960(5) 0.2301(6) 0.046 Uiso 0.5 1 d PD
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
Si Si 0.0817 0.0704 '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
_geom_angle_site_symmetry_3
O1 C1 Ru1 175.8(4) . .
P1 C2 Si1 131.4(3) . .
P1 C2 H2 114.3 . .
Si1 C2 H2 114.3 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si1 C4 H4A 109.5 . .
Si1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si1 C5 H5A 109.5 . .
Si1 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si1 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C11 117.3(5) . .
C7 C6 Hg1 121.7(4) . .
C11 C6 Hg1 121.0(4) . .
C6 C7 C8 122.5(6) . .
C6 C7 H7 118.7 . .
C8 C7 H7 118.7 . .
C9 C8 C7 119.4(6) . .
C9 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C8 C9 C10 120.6(6) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C9 C10 C11 119.1(6) . .
C9 C10 H10 120.4 . .
C11 C10 H10 120.4 . .
C6 C11 C10 121.1(6) . .
C6 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C17 C12 C13 118.3(5) . .
C17 C12 P2 115.7(4) . .
C13 C12 P2 126.0(4) . .
C12 C13 C14 119.6(5) . .
C12 C13 H13 120.2 . .
C14 C13 H13 120.2 . .
C15 C14 C13 121.3(5) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C16 C15 C14 119.5(5) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
C15 C16 C17 120.6(6) . .
C15 C16 H16 119.7 . .
C17 C16 H16 119.7 . .
C12 C17 C16 120.7(5) . .
C12 C17 H17 119.6 . .
C16 C17 H17 119.6 . .
C23 C18 C19 118.5(4) . .
C23 C18 P2 120.4(4) . .
C19 C18 P2 121.0(4) . .
C20 C19 C18 120.4(5) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C21 C20 C19 120.2(5) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C20 C21 C22 120.6(5) . .
C20 C21 H21 119.7 . .
C22 C21 H21 119.7 . .
C21 C22 C23 120.0(5) . .
C21 C22 H22 120 . .
C23 C22 H22 120 . .
C22 C23 C18 120.2(5) . .
C22 C23 H23 119.9 . .
C18 C23 H23 119.9 . .
C29 C24 C25 120.0(4) . .
C29 C24 P2 122.6(4) . .
C25 C24 P2 117.0(3) . .
C26 C25 C24 120.4(5) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C27 C26 C25 119.6(5) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C26 C27 C28 121.0(5) . .
C26 C27 H27 119.5 . .
C28 C27 H27 119.5 . .
C27 C28 C29 119.6(5) . .
C27 C28 H28 120.2 . .
C29 C28 H28 120.2 . .
C24 C29 C28 119.4(5) . .
C24 C29 H29 120.3 . .
C28 C29 H29 120.3 . .
C31 C30 C35 119.6(4) . .
C31 C30 P3 118.8(4) . .
C35 C30 P3 121.5(4) . .
C30 C31 C32 119.2(5) . .
C30 C31 H31 120.4 . .
C32 C31 H31 120.4 . .
C33 C32 C31 121.1(5) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C32 C33 C34 119.6(5) . .
C32 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C33 C34 C35 120.0(5) . .
C33 C34 H34 120 . .
C35 C34 H34 120 . .
C34 C35 C30 120.4(5) . .
C34 C35 H35 119.8 . .
C30 C35 H35 119.8 . .
C41 C36 C37 118.3(4) . .
C41 C36 P3 121.3(4) . .
C37 C36 P3 119.9(4) . .
C38 C37 C36 120.1(5) . .
C38 C37 H37 120 . .
C36 C37 H37 120 . .
C39 C38 C37 120.5(5) . .
C39 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
C40 C39 C38 120.0(5) . .
C40 C39 H39 120 . .
C38 C39 H39 120 . .
C39 C40 C41 120.6(5) . .
C39 C40 H40 119.7 . .
C41 C40 H40 119.7 . .
C40 C41 C36 120.5(5) . .
C40 C41 H41 119.7 . .
C36 C41 H41 119.7 . .
C47 C42 C43 119.0(4) . .
C47 C42 P3 121.8(4) . .
C43 C42 P3 119.1(4) . .
C44 C43 C42 120.4(5) . .
C44 C43 H43 119.8 . .
C42 C43 H43 119.8 . .
C45 C44 C43 120.0(5) . .
C45 C44 H44 120 . .
C43 C44 H44 120 . .
C46 C45 C44 120.0(5) . .
C46 C45 H45 120 . .
C44 C45 H45 120 . .
C45 C46 C47 120.3(5) . .
C45 C46 H46 119.9 . .
C47 C46 H46 119.9 . .
C42 C47 C46 120.2(5) . .
C42 C47 H47 119.9 . .
C46 C47 H47 119.9 . .
C102 C101 H10A 109.5 . .
C102 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C102 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
C103 C102 C107 117.3(8) . .
C103 C102 C101 123.2(9) . .
C107 C102 C101 119.5(9) . .
C102 C103 C104 122.2(8) . .
C102 C103 H103 118.9 . .
C104 C103 H103 118.9 . .
C105 C104 C103 119.6(9) . .
C105 C104 H104 120.2 . .
C103 C104 H104 120.2 . .
C104 C105 C106 118.7(9) . .
C104 C105 H105 120.7 . .
C106 C105 H105 120.7 . .
C107 C106 C105 124.0(9) . .
C107 C106 H106 118 . .
C105 C106 H106 118 . .
C106 C107 C102 118.2(9) . .
C106 C107 H107 120.9 . .
C102 C107 H107 120.9 . .
C112 C111 H11A 109.5 . .
C112 C111 H11B 109.5 . .
H11A C111 H11B 109.5 . .
C112 C111 H11C 109.5 . .
H11A C111 H11C 109.5 . .
H11B C111 H11C 109.5 . .
C112 C111 H112 11(4) . .
H11A C111 H112 98 . .
H11B C111 H112 114.6 . .
H11C C111 H112 115.1 . .
C113 C112 C111 115.5(9) . .
C113 C112 C114 119.7(7) . 2
C111 C112 C114 124.5(10) . 2
C113 C112 H112 120.8(19) . .
C111 C112 H112 5.3(19) . .
C114 C112 H112 119(2) 2 .
C112 C113 C114 120.3(7) . .
C112 C113 H113 119.8 . .
C114 C113 H113 119.8 . .
C113 C114 C112 120.0(8) . 2
C113 C114 H114 120 . .
C112 C114 H114 120 2 .
C6 Hg1 P1 175.33(14) . .
C2 P1 Ru1 126.84(19) . .
C2 P1 Hg1 115.37(19) . .
Ru1 P1 Hg1 117.60(5) . .
C18 P2 C24 103.9(2) . .
C18 P2 C12 106.8(2) . .
C24 P2 C12 97.7(2) . .
C18 P2 Ru1 110.54(15) . .
C24 P2 Ru1 120.32(16) . .
C12 P2 Ru1 115.93(15) . .
C36 P3 C42 104.4(2) . .
C36 P3 C30 103.2(2) . .
C42 P3 C30 103.0(2) . .
C36 P3 Ru1 110.34(15) . .
C42 P3 Ru1 115.19(16) . .
C30 P3 Ru1 119.09(16) . .
C1 Ru1 P1 88.63(15) . .
C1 Ru1 P2 91.98(15) . .
P1 Ru1 P2 88.97(4) . .
C1 Ru1 P3 89.51(15) . .
P1 Ru1 P3 93.43(4) . .
P2 Ru1 P3 177.21(4) . .
C1 Ru1 Cl2 172.61(14) . .
P1 Ru1 Cl2 84.62(4) . .
P2 Ru1 Cl2 90.90(4) . .
P3 Ru1 Cl2 87.90(4) . .
C1 Ru1 Cl1 92.74(14) . .
P1 Ru1 Cl1 173.87(5) . .
P2 Ru1 Cl1 85.02(4) . .
P3 Ru1 Cl1 92.55(4) . .
Cl2 Ru1 Cl1 94.29(4) . .
C4 Si1 C5 111.3(3) . .
C4 Si1 C2 105.6(3) . .
C5 Si1 C2 108.6(3) . .
C4 Si1 C3 108.3(3) . .
C5 Si1 C3 109.7(3) . .
C2 Si1 C3 113.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.139(5) .
C1 Ru1 1.845(5) .
C2 P1 1.662(5) .
C2 Si1 1.855(5) .
C2 H2 0.95 .
C3 Si1 1.877(6) .
C3 H3A 0.98 .
C3 H3B 0.98 .
C3 H3C 0.98 .
C4 Si1 1.852(6) .
C4 H4A 0.98 .
C4 H4B 0.98 .
C4 H4C 0.98 .
C5 Si1 1.852(6) .
C5 H5A 0.98 .
C5 H5B 0.98 .
C5 H5C 0.98 .
C6 C7 1.359(8) .
C6 C11 1.395(8) .
C6 Hg1 2.089(5) .
C7 C8 1.386(8) .
C7 H7 0.95 .
C8 C9 1.362(9) .
C8 H8 0.95 .
C9 C10 1.372(9) .
C9 H9 0.95 .
C10 C11 1.395(8) .
C10 H10 0.95 .
C11 H11 0.95 .
C12 C17 1.389(7) .
C12 C13 1.392(7) .
C12 P2 1.847(5) .
C13 C14 1.396(8) .
C13 H13 0.95 .
C14 C15 1.366(8) .
C14 H14 0.95 .
C15 C16 1.358(9) .
C15 H15 0.95 .
C16 C17 1.391(7) .
C16 H16 0.95 .
C17 H17 0.95 .
C18 C23 1.396(6) .
C18 C19 1.406(6) .
C18 P2 1.832(5) .
C19 C20 1.379(7) .
C19 H19 0.95 .
C20 C21 1.368(8) .
C20 H20 0.95 .
C21 C22 1.380(8) .
C21 H21 0.95 .
C22 C23 1.388(7) .
C22 H22 0.95 .
C23 H23 0.95 .
C24 C29 1.381(6) .
C24 C25 1.391(6) .
C24 P2 1.843(4) .
C25 C26 1.379(7) .
C25 H25 0.95 .
C26 C27 1.372(7) .
C26 H26 0.95 .
C27 C28 1.380(7) .
C27 H27 0.95 .
C28 C29 1.401(7) .
C28 H28 0.95 .
C29 H29 0.95 .
C30 C31 1.385(7) .
C30 C35 1.391(7) .
C30 P3 1.842(5) .
C31 C32 1.395(7) .
C31 H31 0.95 .
C32 C33 1.373(8) .
C32 H32 0.95 .
C33 C34 1.381(8) .
C33 H33 0.95 .
C34 C35 1.385(7) .
C34 H34 0.95 .
C35 H35 0.95 .
C36 C41 1.402(7) .
C36 C37 1.403(6) .
C36 P3 1.826(5) .
C37 C38 1.390(7) .
C37 H37 0.95 .
C38 C39 1.380(8) .
C38 H38 0.95 .
C39 C40 1.369(8) .
C39 H39 0.95 .
C40 C41 1.386(7) .
C40 H40 0.95 .
C41 H41 0.95 .
C42 C47 1.380(7) .
C42 C43 1.394(6) .
C42 P3 1.842(5) .
C43 C44 1.385(7) .
C43 H43 0.95 .
C44 C45 1.379(7) .
C44 H44 0.95 .
C45 C46 1.371(8) .
C45 H45 0.95 .
C46 C47 1.394(7) .
C46 H46 0.95 .
C47 H47 0.95 .
C101 C102 1.456(12) .
C101 H10A 0.98 .
C101 H10B 0.98 .
C101 H10C 0.98 .
C102 C103 1.378(11) .
C102 C107 1.428(11) .
C103 C104 1.403(12) .
C103 H103 0.95 .
C104 C105 1.349(12) .
C104 H104 0.95 .
C105 C106 1.378(12) .
C105 H105 0.95 .
C106 C107 1.357(11) .
C106 H106 0.95 .
C107 H107 0.95 .
C111 C112 1.384(12) .
C111 H11A 0.98 .
C111 H11B 0.98 .
C111 H11C 0.98 .
C111 H112 0.444(9) .
C112 C113 1.357(11) .
C112 C114 1.413(10) 2
C112 H112 0.953(8) .
C113 C114 1.359(10) .
C113 H113 0.95 .
C114 C112 1.413(10) 2
C114 H114 0.95 .
Cl2 Ru1 2.4686(12) .
Cl1 Ru1 2.4774(11) .
Hg1 P1 2.3898(13) .
P1 Ru1 2.2556(12) .
P2 Ru1 2.3992(12) .
P3 Ru1 2.4106(13) .
