#------------------------------------------------------------------------------
#$Date: 2018-09-10 01:33:02 +0300 (Mon, 10 Sep 2018) $
#$Revision: 210699 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/39/7103935.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_7103935
loop_
_publ_author_name
'Lachaize, Sébastien'
'Sabo-Etienne, Sylviane'
'Donnadieu, Bruno'
'Chaudret, Bruno'
_publ_section_title
;
 Mechanistic studies on ethylene silylation with chlorosilanes catalysed
 by ruthenium complexes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   2
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              214
_journal_page_last               215
_journal_paper_doi               10.1039/b210552g
_journal_year                    2003
_chemical_formula_moiety         'C38 H71 Cl P2 Ru Si'
_chemical_formula_sum            'C38 H71 Cl P2 Ru Si'
_chemical_formula_weight         754.50
_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                90.882(5)
_cell_angle_beta                 91.127(5)
_cell_angle_gamma                112.928(5)
_cell_formula_units_Z            2
_cell_length_a                   10.702(5)
_cell_length_b                   10.739(5)
_cell_length_c                   18.617(5)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.1
_cell_volume                     1969.6(14)
_computing_cell_refinement       'Stoe IPDS software (Stoe, 1996)'
_computing_data_collection       'Stoe IPDS software (Stoe, 1996)'
_computing_data_reduction        'XRED (Stoe, 1.08, 1996)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.920
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device       'Stoe IPDS'
_diffrn_measurement_method       φ
_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  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19343
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         2.31
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  'every frame'
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    0.602
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.060
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0407P)²+0.6160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0666
_reflns_number_gt                6362
_reflns_number_total             7182
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210552g.txt
_cod_data_source_block           (9)
_cod_database_code               7103935
#BEGIN Tags that were not found in dictionaries:
_computing-corr_abs              DIFABS
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9511(2) 0.49933(19) 0.78270(10) 0.0291(4) Uani 1 1 d . . .
H1A H 0.9432 0.4515 0.8260 0.035 Uiso 1 1 calc R . .
C2 C 0.8823(2) 0.58535(19) 0.77307(11) 0.0314(4) Uani 1 1 d . . .
H2A H 0.8689 0.6369 0.8118 0.038 Uiso 1 1 calc R . .
C3 C 0.8337(2) 0.59142(18) 0.70244(11) 0.0287(4) Uani 1 1 d . . .
H3 H 0.7487 0.5983 0.6942 0.034 Uiso 1 1 calc R . .
C4 C 0.9211(2) 0.58660(18) 0.64048(10) 0.0279(4) Uani 1 1 d . . .
H4A H 1.0011 0.6732 0.6389 0.034 Uiso 1 1 calc R . .
H4B H 0.8686 0.5744 0.5947 0.034 Uiso 1 1 calc R . .
C5 C 0.9683(2) 0.47059(18) 0.64868(10) 0.0240(4) Uani 1 1 d . A .
H5 H 1.0272 0.4657 0.6086 0.029 Uiso 1 1 calc R . .
C6 C 1.0389(2) 0.48351(19) 0.72266(10) 0.0282(4) Uani 1 1 d . . .
H6A H 1.0586 0.4020 0.7308 0.034 Uiso 1 1 calc R . .
H6B H 1.1263 0.5630 0.7236 0.034 Uiso 1 1 calc R . .
C11 C 0.3638(2) 0.3499(2) 0.76777(12) 0.0314(4) Uani 1 1 d . A .
H11A H 0.3688 0.3359 0.8195 0.047 Uiso 1 1 calc R . .
H11B H 0.3283 0.2621 0.7421 0.047 Uiso 1 1 calc R . .
H11C H 0.3034 0.3973 0.7586 0.047 Uiso 1 1 calc R . .
C111 C 0.77036(19) 0.11028(18) 0.84976(10) 0.0238(4) Uani 1 1 d . A .
H111 H 0.7460 0.0475 0.8068 0.029 Uiso 1 1 calc R . .
C112 C 0.9231(2) 0.1887(2) 0.84778(11) 0.0310(4) Uani 1 1 d . . .
H11D H 0.9549 0.2445 0.8924 0.037 Uiso 1 1 calc R . .
H11E H 0.9447 0.2502 0.8066 0.037 Uiso 1 1 calc R . .
C113 C 0.9975(3) 0.0928(3) 0.84058(13) 0.0435(6) Uani 1 1 d . . .
H11F H 0.9695 0.0403 0.7947 0.052 Uiso 1 1 calc R . .
H11G H 1.0966 0.1461 0.8399 0.052 Uiso 1 1 calc R . .
C114 C 0.9651(2) -0.0037(3) 0.90313(14) 0.0452(6) Uani 1 1 d . . .
H11H H 1.0073 -0.0699 0.8954 0.054 Uiso 1 1 calc R . .
H11I H 1.0046 0.0482 0.9482 0.054 Uiso 1 1 calc R . .
C115 C 0.8142(3) -0.0781(2) 0.91059(16) 0.0465(6) Uani 1 1 d . . .
H11J H 0.7968 -0.1331 0.9543 0.056 Uiso 1 1 calc R . .
H11K H 0.7769 -0.1403 0.8686 0.056 Uiso 1 1 calc R . .
C116 C 0.7417(2) 0.0194(2) 0.91565(14) 0.0399(5) Uani 1 1 d . . .
H11L H 0.7730 0.0764 0.9599 0.048 Uiso 1 1 calc R . .
H11M H 0.6427 -0.0329 0.9186 0.048 Uiso 1 1 calc R . .
C121 C 0.48982(19) 0.08982(17) 0.82591(9) 0.0218(4) Uani 1 1 d . A .
H121 H 0.4349 0.1461 0.8195 0.026 Uiso 1 1 calc R . .
C122 C 0.4672(2) 0.00873(19) 0.75512(11) 0.0296(4) Uani 1 1 d . . .
H12D H 0.5066 -0.0605 0.7595 0.035 Uiso 1 1 calc R . .
H12E H 0.5139 0.0699 0.7162 0.035 Uiso 1 1 calc R . .
C123 C 0.3154(2) -0.0604(2) 0.73619(12) 0.0407(5) Uani 1 1 d . . .
H12F H 0.2784 0.0094 0.7270 0.049 Uiso 1 1 calc R . .
H12G H 0.3025 -0.1161 0.6917 0.049 Uiso 1 1 calc R . .
C124 C 0.2378(2) -0.1499(2) 0.79666(14) 0.0440(6) Uani 1 1 d . . .
H12H H 0.1392 -0.1853 0.7850 0.053 Uiso 1 1 calc R . .
H12I H 0.2647 -0.2279 0.8009 0.053 Uiso 1 1 calc R . .
C125 C 0.2664(2) -0.0714(2) 0.86791(12) 0.0354(5) Uani 1 1 d . . .
H12J H 0.2194 -0.1330 0.9066 0.042 Uiso 1 1 calc R . .
H12K H 0.2304 0.0006 0.8654 0.042 Uiso 1 1 calc R . .
C126 C 0.4182(2) -0.00804(19) 0.88558(11) 0.0287(4) Uani 1 1 d . . .
H12L H 0.4546 -0.0796 0.8891 0.034 Uiso 1 1 calc R . .
H12M H 0.4349 0.0415 0.9324 0.034 Uiso 1 1 calc R . .
C131 C 0.6628(2) 0.27651(18) 0.93403(10) 0.0250(4) Uani 1 1 d . A .
H131 H 0.6489 0.1984 0.9659 0.030 Uiso 1 1 calc R . .
C132 C 0.5480(2) 0.3240(2) 0.94817(10) 0.0286(4) Uani 1 1 d . . .
H13A H 0.4600 0.2514 0.9337 0.034 Uiso 1 1 calc R . .
H13B H 0.5603 0.4040 0.9190 0.034 Uiso 1 1 calc R . .
C133 C 0.5470(3) 0.3607(2) 1.02803(11) 0.0350(5) Uani 1 1 d . . .
H13C H 0.4732 0.3928 1.0360 0.042 Uiso 1 1 calc R . .
H13D H 0.5286 0.2790 1.0568 0.042 Uiso 1 1 calc R . .
C134 C 0.6818(3) 0.4703(2) 1.05306(12) 0.0419(6) Uani 1 1 d . . .
H13E H 0.6948 0.5555 1.0287 0.050 Uiso 1 1 calc R . .
H13F H 0.6803 0.4867 1.1055 0.050 Uiso 1 1 calc R . .
C135 C 0.7987(3) 0.4298(2) 1.03685(11) 0.0398(5) Uani 1 1 d . . .
H13G H 0.7931 0.3528 1.0670 0.048 Uiso 1 1 calc R . .
H13H H 0.8853 0.5064 1.0494 0.048 Uiso 1 1 calc R . .
C136 C 0.7984(2) 0.3895(2) 0.95759(11) 0.0331(5) Uani 1 1 d . . .
H13I H 0.8729 0.3583 0.9499 0.040 Uiso 1 1 calc R . .
H13J H 0.8149 0.4694 0.9276 0.040 Uiso 1 1 calc R . .
C211 C 0.8787(2) 0.17722(18) 0.65183(10) 0.0234(4) Uani 1 1 d . A .
H211 H 0.9055 0.1693 0.7028 0.028 Uiso 1 1 calc R . .
C212 C 1.0064(2) 0.2024(2) 0.60854(11) 0.0308(4) Uani 1 1 d . . .
H21A H 0.9855 0.2072 0.5569 0.037 Uiso 1 1 calc R . .
H21B H 1.0783 0.2901 0.6240 0.037 Uiso 1 1 calc R . .
C213 C 1.0573(3) 0.0892(2) 0.61958(14) 0.0403(5) Uani 1 1 d . . .
H21C H 1.1366 0.1048 0.5892 0.048 Uiso 1 1 calc R . .
H21D H 1.0872 0.0909 0.6704 0.048 Uiso 1 1 calc R . .
C214 C 0.9475(3) -0.0490(2) 0.60061(15) 0.0460(6) Uani 1 1 d . . .
H21E H 0.9258 -0.0546 0.5484 0.055 Uiso 1 1 calc R . .
H21F H 0.9820 -0.1199 0.6116 0.055 Uiso 1 1 calc R . .
C215 C 0.8190(2) -0.0751(2) 0.64195(13) 0.0366(5) Uani 1 1 d . . .
H21G H 0.8375 -0.0817 0.6938 0.044 Uiso 1 1 calc R . .
H21H H 0.7476 -0.1623 0.6253 0.044 Uiso 1 1 calc R . .
C216 C 0.7686(2) 0.03865(18) 0.63103(11) 0.0280(4) Uani 1 1 d . . .
H21I H 0.6881 0.0222 0.6606 0.034 Uiso 1 1 calc R . .
H21J H 0.7408 0.0385 0.5800 0.034 Uiso 1 1 calc R . .
C221 C 0.71853(19) 0.30665(18) 0.56755(9) 0.0231(4) Uani 1 1 d . A .
H221 H 0.7063 0.3943 0.5662 0.028 Uiso 1 1 calc R . .
C222 C 0.7932(2) 0.30313(19) 0.49870(9) 0.0262(4) Uani 1 1 d . . .
H22A H 0.8036 0.2157 0.4944 0.031 Uiso 1 1 calc R . .
H22B H 0.8849 0.3764 0.5010 0.031 Uiso 1 1 calc R . .
C223 C 0.7140(2) 0.3208(2) 0.43281(10) 0.0308(4) Uani 1 1 d . . .
H22C H 0.7104 0.4115 0.4353 0.037 Uiso 1 1 calc R . .
H22D H 0.7618 0.3149 0.3887 0.037 Uiso 1 1 calc R . .
C224 C 0.5700(2) 0.2131(2) 0.42882(10) 0.0314(4) Uani 1 1 d . . .
H22E H 0.5201 0.2295 0.3871 0.038 Uiso 1 1 calc R . .
H22F H 0.5732 0.1228 0.4218 0.038 Uiso 1 1 calc R . .
C225 C 0.4955(2) 0.2153(2) 0.49728(10) 0.0307(4) Uani 1 1 d . . .
H22G H 0.4040 0.1417 0.4946 0.037 Uiso 1 1 calc R . .
H22H H 0.4844 0.3024 0.5017 0.037 Uiso 1 1 calc R . .
C226 C 0.5736(2) 0.19756(19) 0.56372(10) 0.0262(4) Uani 1 1 d . . .
H22I H 0.5774 0.1069 0.5616 0.031 Uiso 1 1 calc R . .
H22J H 0.5254 0.2038 0.6076 0.031 Uiso 1 1 calc R . .
Cl1A Cl 0.5737(4) 0.6478(4) 0.77994(14) 0.0407(5) Uani 0.530(6) 1 d P A 1
C1A C 0.492(2) 0.475(2) 0.6372(9) 0.075(9) Uani 0.530(6) 1 d P A 1
HAA H 0.4504 0.3859 0.6137 0.090 Uiso 0.530(6) 1 calc PR A 1
HAB H 0.5736 0.5305 0.6114 0.090 Uiso 0.530(6) 1 calc PR A 1
HAC H 0.4275 0.5195 0.6365 0.090 Uiso 0.530(6) 1 calc PR A 1
Cl1B Cl 0.5095(5) 0.4910(5) 0.6261(3) 0.0457(7) Uani 0.470(6) 1 d P A 2
C1B C 0.563(2) 0.6283(19) 0.7773(11) 0.080(10) Uani 0.470(6) 1 d P A 2
HBA H 0.4759 0.6236 0.7947 0.096 Uiso 0.470(6) 1 calc PR A 2
HBC H 0.5962 0.6984 0.7412 0.096 Uiso 0.470(6) 1 calc PR A 2
HBD H 0.6293 0.6503 0.8176 0.096 Uiso 0.470(6) 1 calc PR A 2
Si1 Si 0.54175(6) 0.45638(5) 0.73479(3) 0.02771(12) Uani 1 1 d . . .
P1 P 0.66710(5) 0.21585(4) 0.83988(2) 0.01901(10) Uani 1 1 d . . .
P2 P 0.81273(5) 0.31522(4) 0.65352(2) 0.01958(10) Uani 1 1 d . . .
Ru1 Ru 0.723065(15) 0.387499(13) 0.753920(7) 0.01954(6) Uani 1 1 d . A .
H1 H 0.583(2) 0.302(2) 0.7149(12) 0.034(6) Uiso 1 1 d . . .
H2 H 0.655(3) 0.441(3) 0.8177(14) 0.046(7) Uiso 1 1 d . . .
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'
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 118.97(17) . . ?
C2 C1 Ru1 66.16(12) . . ?
C6 C1 Ru1 111.29(12) . . ?
C2 C1 H1A 120.5 . . ?
C6 C1 H1A 120.5 . . ?
Ru1 C1 H1A 92.3 . . ?
C1 C2 C3 116.47(18) . . ?
C1 C2 Ru1 77.56(12) . . ?
C3 C2 Ru1 76.03(11) . . ?
C1 C2 H2A 121.8 . . ?
C3 C2 H2A 121.8 . . ?
Ru1 C2 H2A 115.7 . . ?
C2 C3 C4 117.97(19) . . ?
C2 C3 Ru1 66.92(10) . . ?
C4 C3 Ru1 114.08(12) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
Ru1 C3 H3 89.1 . . ?
C3 C4 C5 110.62(15) . . ?
C3 C4 H4A 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C4 C5 C6 109.16(16) . . ?
C4 C5 P2 106.12(14) . . ?
C6 C5 P2 104.40(12) . . ?
C4 C5 H5 112.2 . . ?
C6 C5 H5 112.2 . . ?
P2 C5 H5 112.2 . . ?
C1 C6 C5 111.51(17) . . ?
C1 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
C1 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C112 C111 C116 107.45(15) . . ?
C112 C111 P1 114.80(13) . . ?
C116 C111 P1 116.26(15) . . ?
C112 C111 H111 105.8 . . ?
C116 C111 H111 105.8 . . ?
P1 C111 H111 105.8 . . ?
C111 C112 C113 111.12(18) . . ?
C111 C112 H11D 109.4 . . ?
C113 C112 H11D 109.4 . . ?
C111 C112 H11E 109.4 . . ?
C113 C112 H11E 109.4 . . ?
H11D C112 H11E 108.0 . . ?
C114 C113 C112 110.39(19) . . ?
C114 C113 H11F 109.6 . . ?
C112 C113 H11F 109.6 . . ?
C114 C113 H11G 109.6 . . ?
C112 C113 H11G 109.6 . . ?
H11F C113 H11G 108.1 . . ?
C115 C114 C113 111.56(19) . . ?
C115 C114 H11H 109.3 . . ?
C113 C114 H11H 109.3 . . ?
C115 C114 H11I 109.3 . . ?
C113 C114 H11I 109.3 . . ?
H11H C114 H11I 108.0 . . ?
C114 C115 C116 111.6(2) . . ?
C114 C115 H11J 109.3 . . ?
C116 C115 H11J 109.3 . . ?
C114 C115 H11K 109.3 . . ?
C116 C115 H11K 109.3 . . ?
H11J C115 H11K 108.0 . . ?
C115 C116 C111 110.8(2) . . ?
C115 C116 H11L 109.5 . . ?
C111 C116 H11L 109.5 . . ?
C115 C116 H11M 109.5 . . ?
C111 C116 H11M 109.5 . . ?
H11L C116 H11M 108.1 . . ?
C122 C121 C126 108.41(15) . . ?
C122 C121 P1 113.30(14) . . ?
C126 C121 P1 120.70(13) . . ?
C122 C121 H121 104.2 . . ?
C126 C121 H121 104.2 . . ?
P1 C121 H121 104.2 . . ?
C121 C122 C123 110.45(17) . . ?
C121 C122 H12D 109.6 . . ?
C123 C122 H12D 109.6 . . ?
C121 C122 H12E 109.6 . . ?
C123 C122 H12E 109.6 . . ?
H12D C122 H12E 108.1 . . ?
C124 C123 C122 111.47(19) . . ?
C124 C123 H12F 109.3 . . ?
C122 C123 H12F 109.3 . . ?
C124 C123 H12G 109.3 . . ?
C122 C123 H12G 109.3 . . ?
H12F C123 H12G 108.0 . . ?
C125 C124 C123 111.10(18) . . ?
C125 C124 H12H 109.4 . . ?
C123 C124 H12H 109.4 . . ?
C125 C124 H12I 109.4 . . ?
C123 C124 H12I 109.4 . . ?
H12H C124 H12I 108.0 . . ?
C124 C125 C126 110.99(19) . . ?
C124 C125 H12J 109.4 . . ?
C126 C125 H12J 109.4 . . ?
C124 C125 H12K 109.4 . . ?
C126 C125 H12K 109.4 . . ?
H12J C125 H12K 108.0 . . ?
C125 C126 C121 109.00(16) . . ?
C125 C126 H12L 109.9 . . ?
C121 C126 H12L 109.9 . . ?
C125 C126 H12M 109.9 . . ?
C121 C126 H12M 109.9 . . ?
H12L C126 H12M 108.3 . . ?
C132 C131 C136 108.93(17) . . ?
C132 C131 P1 114.81(13) . . ?
C136 C131 P1 111.66(14) . . ?
C132 C131 H131 107.0 . . ?
C136 C131 H131 107.0 . . ?
P1 C131 H131 107.0 . . ?
C131 C132 C133 110.47(17) . . ?
C131 C132 H13A 109.6 . . ?
C133 C132 H13A 109.6 . . ?
C131 C132 H13B 109.6 . . ?
C133 C132 H13B 109.6 . . ?
H13A C132 H13B 108.1 . . ?
C134 C133 C132 111.40(19) . . ?
C134 C133 H13C 109.3 . . ?
C132 C133 H13C 109.3 . . ?
C134 C133 H13D 109.3 . . ?
C132 C133 H13D 109.3 . . ?
H13C C133 H13D 108.0 . . ?
C135 C134 C133 111.17(18) . . ?
C135 C134 H13E 109.4 . . ?
C133 C134 H13E 109.4 . . ?
C135 C134 H13F 109.4 . . ?
C133 C134 H13F 109.4 . . ?
H13E C134 H13F 108.0 . . ?
C134 C135 C136 111.94(19) . . ?
C134 C135 H13G 109.2 . . ?
C136 C135 H13G 109.2 . . ?
C134 C135 H13H 109.2 . . ?
C136 C135 H13H 109.2 . . ?
H13G C135 H13H 107.9 . . ?
C135 C136 C131 111.44(19) . . ?
C135 C136 H13I 109.3 . . ?
C131 C136 H13I 109.3 . . ?
C135 C136 H13J 109.3 . . ?
C131 C136 H13J 109.3 . . ?
H13I C136 H13J 108.0 . . ?
C216 C211 C212 110.10(16) . . ?
C216 C211 P2 112.77(14) . . ?
C212 C211 P2 116.84(13) . . ?
C216 C211 H211 105.4 . . ?
C212 C211 H211 105.4 . . ?
P2 C211 H211 105.4 . . ?
C213 C212 C211 110.66(17) . . ?
C213 C212 H21A 109.5 . . ?
C211 C212 H21A 109.5 . . ?
C213 C212 H21B 109.5 . . ?
C211 C212 H21B 109.5 . . ?
H21A C212 H21B 108.1 . . ?
C214 C213 C212 111.6(2) . . ?
C214 C213 H21C 109.3 . . ?
C212 C213 H21C 109.3 . . ?
C214 C213 H21D 109.3 . . ?
C212 C213 H21D 109.3 . . ?
H21C C213 H21D 108.0 . . ?
C215 C214 C213 111.9(2) . . ?
C215 C214 H21E 109.2 . . ?
C213 C214 H21E 109.2 . . ?
C215 C214 H21F 109.2 . . ?
C213 C214 H21F 109.2 . . ?
H21E C214 H21F 107.9 . . ?
C214 C215 C216 110.77(18) . . ?
C214 C215 H21G 109.5 . . ?
C216 C215 H21G 109.5 . . ?
C214 C215 H21H 109.5 . . ?
C216 C215 H21H 109.5 . . ?
H21G C215 H21H 108.1 . . ?
C215 C216 C211 111.60(18) . . ?
C215 C216 H21I 109.3 . . ?
C211 C216 H21I 109.3 . . ?
C215 C216 H21J 109.3 . . ?
C211 C216 H21J 109.3 . . ?
H21I C216 H21J 108.0 . . ?
C222 C221 C226 110.47(15) . . ?
C222 C221 P2 116.32(14) . . ?
C226 C221 P2 114.67(12) . . ?
C222 C221 H221 104.6 . . ?
C226 C221 H221 104.6 . . ?
P2 C221 H221 104.6 . . ?
C221 C222 C223 110.39(17) . . ?
C221 C222 H22A 109.6 . . ?
C223 C222 H22A 109.6 . . ?
C221 C222 H22B 109.6 . . ?
C223 C222 H22B 109.6 . . ?
H22A C222 H22B 108.1 . . ?
C224 C223 C222 111.30(16) . . ?
C224 C223 H22C 109.4 . . ?
C222 C223 H22C 109.4 . . ?
C224 C223 H22D 109.4 . . ?
C222 C223 H22D 109.4 . . ?
H22C C223 H22D 108.0 . . ?
C225 C224 C223 110.74(16) . . ?
C225 C224 H22E 109.5 . . ?
C223 C224 H22E 109.5 . . ?
C225 C224 H22F 109.5 . . ?
C223 C224 H22F 109.5 . . ?
H22E C224 H22F 108.1 . . ?
C224 C225 C226 111.12(17) . . ?
C224 C225 H22G 109.4 . . ?
C226 C225 H22G 109.4 . . ?
C224 C225 H22H 109.4 . . ?
C226 C225 H22H 109.4 . . ?
H22G C225 H22H 108.0 . . ?
C225 C226 C221 110.70(15) . . ?
C225 C226 H22I 109.5 . . ?
C221 C226 H22I 109.5 . . ?
C225 C226 H22J 109.5 . . ?
C221 C226 H22J 109.5 . . ?
H22I C226 H22J 108.1 . . ?
Si1 C1A HAA 109.5 . . ?
Si1 C1A HAB 109.5 . . ?
HAA C1A HAB 109.5 . . ?
Si1 C1A HAC 109.5 . . ?
HAA C1A HAC 109.5 . . ?
HAB C1A HAC 109.5 . . ?
Si1 C1B HBA 109.5 . . ?
Si1 C1B HBC 109.5 . . ?
HBA C1B HBC 109.5 . . ?
Si1 C1B HBD 109.5 . . ?
HBA C1B HBD 109.5 . . ?
HBC C1B HBD 109.5 . . ?
C11 Si1 C1A 98.1(7) . . ?
C11 Si1 C1B 98.9(7) . . ?
C1A Si1 C1B 101.8(8) . . ?
C11 Si1 Cl1A 101.21(13) . . ?
C1A Si1 Cl1A 101.7(6) . . ?
C1B Si1 Cl1A 2.3(8) . . ?
C11 Si1 Cl1B 104.31(18) . . ?
C1A Si1 Cl1B 6.2(8) . . ?
C1B Si1 Cl1B 100.1(6) . . ?
Cl1A Si1 Cl1B 99.73(13) . . ?
C11 Si1 Ru1 120.79(7) . . ?
C1A Si1 Ru1 117.4(6) . . ?
C1B Si1 Ru1 116.1(7) . . ?
Cl1A Si1 Ru1 114.42(10) . . ?
Cl1B Si1 Ru1 113.64(13) . . ?
C11 Si1 H1 93.4(7) . . ?
C1A Si1 H1 94.9(9) . . ?
C1B Si1 H1 157.6(10) . . ?
Cl1A Si1 H1 156.0(7) . . ?
Cl1B Si1 H1 94.8(7) . . ?
Ru1 Si1 H1 41.8(7) . . ?
C121 P1 C131 101.40(9) . . ?
C121 P1 C111 104.15(9) . . ?
C131 P1 C111 102.83(8) . . ?
C121 P1 Ru1 111.59(6) . . ?
C131 P1 Ru1 114.15(7) . . ?
C111 P1 Ru1 120.55(7) . . ?
C5 P2 C221 104.90(8) . . ?
C5 P2 C211 103.22(10) . . ?
C221 P2 C211 108.38(8) . . ?
C5 P2 Ru1 96.03(7) . . ?
C221 P2 Ru1 114.09(7) . . ?
C211 P2 Ru1 126.41(6) . . ?
C2 Ru1 C3 37.05(8) . . ?
C2 Ru1 C1 36.28(8) . . ?
C3 Ru1 C1 62.86(7) . . ?
C2 Ru1 Si1 98.07(7) . . ?
C3 Ru1 Si1 79.56(6) . . ?
C1 Ru1 Si1 134.31(6) . . ?
C2 Ru1 P1 122.40(6) . . ?
C3 Ru1 P1 159.42(5) . . ?
C1 Ru1 P1 99.18(5) . . ?
Si1 Ru1 P1 110.67(3) . . ?
C2 Ru1 P2 99.40(6) . . ?
C3 Ru1 P2 80.64(6) . . ?
C1 Ru1 P2 81.41(6) . . ?
Si1 Ru1 P2 118.71(2) . . ?
P1 Ru1 P2 107.80(3) . . ?
C2 Ru1 H1 146.8(8) . . ?
C3 Ru1 H1 112.7(8) . . ?
C1 Ru1 H1 164.4(9) . . ?
Si1 Ru1 H1 53.8(8) . . ?
P1 Ru1 H1 87.3(8) . . ?
P2 Ru1 H1 83.2(9) . . ?
C2 Ru1 H2 80.9(9) . . ?
C3 Ru1 H2 97.0(9) . . ?
C1 Ru1 H2 101.3(9) . . ?
Si1 Ru1 H2 56.6(9) . . ?
P1 Ru1 H2 75.8(9) . . ?
P2 Ru1 H2 175.2(9) . . ?
H1 Ru1 H2 94.0(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.399(3) . ?
C1 C6 1.523(3) . ?
C1 Ru1 2.309(2) . ?
C1 H1A 0.9500 . ?
C2 C3 1.416(3) . ?
C2 Ru1 2.163(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.513(3) . ?
C3 Ru1 2.281(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.524(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.535(3) . ?
C5 P2 1.8467(19) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C11 Si1 1.919(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C111 C112 1.521(3) . ?
C111 C116 1.540(3) . ?
C111 P1 1.875(2) . ?
C111 H111 1.0000 . ?
C112 C113 1.533(3) . ?
C112 H11D 0.9900 . ?
C112 H11E 0.9900 . ?
C113 C114 1.524(3) . ?
C113 H11F 0.9900 . ?
C113 H11G 0.9900 . ?
C114 C115 1.508(4) . ?
C114 H11H 0.9900 . ?
C114 H11I 0.9900 . ?
C115 C116 1.529(3) . ?
C115 H11J 0.9900 . ?
C115 H11K 0.9900 . ?
C116 H11L 0.9900 . ?
C116 H11M 0.9900 . ?
C121 C122 1.530(3) . ?
C121 C126 1.539(2) . ?
C121 P1 1.862(2) . ?
C121 H121 1.0000 . ?
C122 C123 1.532(3) . ?
C122 H12D 0.9900 . ?
C122 H12E 0.9900 . ?
C123 C124 1.526(3) . ?
C123 H12F 0.9900 . ?
C123 H12G 0.9900 . ?
C124 C125 1.521(3) . ?
C124 H12H 0.9900 . ?
C124 H12I 0.9900 . ?
C125 C126 1.524(3) . ?
C125 H12J 0.9900 . ?
C125 H12K 0.9900 . ?
C126 H12L 0.9900 . ?
C126 H12M 0.9900 . ?
C131 C132 1.528(3) . ?
C131 C136 1.535(3) . ?
C131 P1 1.8683(19) . ?
C131 H131 1.0000 . ?
C132 C133 1.534(3) . ?
C132 H13A 0.9900 . ?
C132 H13B 0.9900 . ?
C133 C134 1.523(3) . ?
C133 H13C 0.9900 . ?
C133 H13D 0.9900 . ?
C134 C135 1.510(4) . ?
C134 H13E 0.9900 . ?
C134 H13F 0.9900 . ?
C135 C136 1.531(3) . ?
C135 H13G 0.9900 . ?
C135 H13H 0.9900 . ?
C136 H13I 0.9900 . ?
C136 H13J 0.9900 . ?
C211 C216 1.533(3) . ?
C211 C212 1.534(3) . ?
C211 P2 1.873(2) . ?
C211 H211 1.0000 . ?
C212 C213 1.529(3) . ?
C212 H21A 0.9900 . ?
C212 H21B 0.9900 . ?
C213 C214 1.522(4) . ?
C213 H21C 0.9900 . ?
C213 H21D 0.9900 . ?
C214 C215 1.520(4) . ?
C214 H21E 0.9900 . ?
C214 H21F 0.9900 . ?
C215 C216 1.530(3) . ?
C215 H21G 0.9900 . ?
C215 H21H 0.9900 . ?
C216 H21I 0.9900 . ?
C216 H21J 0.9900 . ?
C221 C222 1.531(3) . ?
C221 C226 1.537(3) . ?
C221 P2 1.8564(18) . ?
C221 H221 1.0000 . ?
C222 C223 1.533(3) . ?
C222 H22A 0.9900 . ?
C222 H22B 0.9900 . ?
C223 C224 1.524(3) . ?
C223 H22C 0.9900 . ?
C223 H22D 0.9900 . ?
C224 C225 1.521(3) . ?
C224 H22E 0.9900 . ?
C224 H22F 0.9900 . ?
C225 C226 1.535(3) . ?
C225 H22G 0.9900 . ?
C225 H22H 0.9900 . ?
C226 H22I 0.9900 . ?
C226 H22J 0.9900 . ?
Cl1A Si1 2.107(4) . ?
C1A Si1 1.919(15) . ?
C1A HAA 0.9800 . ?
C1A HAB 0.9800 . ?
C1A HAC 0.9800 . ?
Cl1B Si1 2.110(5) . ?
C1B Si1 1.924(17) . ?
C1B HBA 0.9800 . ?
C1B HBC 0.9800 . ?
C1B HBD 0.9800 . ?
Si1 Ru1 2.3534(11) . ?
Si1 H1 1.91(2) . ?
P1 Ru1 2.3634(8) . ?
P2 Ru1 2.3714(7) . ?
Ru1 H1 1.57(2) . ?
Ru1 H2 1.62(3) . ?
