# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2002

data_global

_journal_coden_Cambridge         440

loop_
_publ_author_name
'Kenneth Caulton'
'Coalter III,Joseph N.'
'John C. Huffman'
'Jennifer Kelley'
'Oleg Ozerov'
'Maren Pink'
'Lori A. Watson'

_publ_contact_author_name        'Prof Kenneth Caulton'
_publ_contact_author_address     
;
Department of Chemistry
Indiana University
800 E. Kirkwood Ave.
Bloomington
IN
47405
UNITED STATES OF AMERICA
;

_publ_contact_author_email       CAULTON@INDIANA.EDU

_publ_requested_journal          'New Journal of Chemistry'

_publ_section_title              
;
Amido/Phosphine Pincer Hydrides of Ruthenium
;

data_MSC99090
_database_code_CSD               197075

_audit_creation_method           
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_chemical_formula_sum            'C48 H76 N1 P3 Ru1 Si2'
_chemical_formula_moiety         ?
_chemical_formula_weight         917.3
_cell_length_a                   11.0831(4)
_cell_length_b                   12.6428(5)
_cell_length_c                   18.4421(7)
_cell_angle_alpha                88.6380(11)
_cell_angle_beta                 88.8047(11)
_cell_angle_gamma                68.2782(12)
_cell_volume                     2399.76(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_cell_measurement_temperature    113.
_exptl_crystal_colour            orange
_exptl_crystal_description       'trapazodial plate'
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    0.509
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_ambient_temperature      113.
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19493
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_theta_min         1.10452
_diffrn_reflns_theta_max         27.5105
_diffrn_reflns_theta_full        0
_diffrn_measured_fraction_theta_max 1
_diffrn_measured_fraction_theta_full 0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_standards_number         ?
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_reflns_number_total             11017
_reflns_number_gt                6085
_reflns_threshold_expression     F^2^>2.33\s(F^2^)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
RU Ru -1.42 0.836 'International Tables Vol. IV (1974) Table 2.2B'
P P 0.09 0.095 'International Tables Vol. IV (1974) Table 2.2B'
SI Si 0.072 0.071 'International Tables Vol. IV (1974) Table 2.2B'
N N 0.004 0.003 'International Tables Vol. IV (1974) Table 2.2B'
C C 0.002 0.002 'International Tables Vol. IV (1974) Table 2.2B'
H H 0 0 'International Tables Vol. IV (1974) Table 2.2B'

_refine_ls_structure_factor_coef F
_refine_ls_matrix_type           full
_refine_ls_number_reflns         60910
_refine_ls_number_parameters     794
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_coef       -0.00000035(2)
_refine_ls_extinction_method     Zachariasen

_refine_ls_extinction_expression 
;                                                                               
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)                         
;
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   ?
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.0379
_refine_ls_goodness_of_fit_ref   0.7811
_refine_ls_shift/su_max          0.0036
_refine_diff_density_max         1.34
_refine_diff_density_min         -1.94
_computing_structure_solution    MULTAN78
_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'

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_disorder_group
_atom_site_disorder_assembly
Ru1 RU 0.2001 -0.2953 -0.2363 0.01467(17) Uani 1 0 .
P2 P 0.20520(15) -0.45081(13) -0.16198(8) 0.0169(5) Uani 1 0 .
C3 C 0.3623(6) -0.5663(5) -0.1399(3) 0.018(2) Uani 1 0 .
C4 C 0.4602(6) -0.5187(5) -0.1091(4) 0.026(2) Uani 1 0 .
C5 C 0.5927(6) -0.6111(6) -0.0976(4) 0.027(2) Uani 1 0 .
C6 C 0.5856(7) -0.7079(6) -0.0490(4) 0.028(3) Uani 1 0 .
C7 C 0.4881(7) -0.7544(5) -0.0800(4) 0.030(3) Uani 1 0 .
C8 C 0.3550(7) -0.6626(6) -0.0914(4) 0.025(2) Uani 1 0 .
C9 C 0.1011(6) -0.5324(5) -0.1877(3) 0.020(2) Uani 1 0 .
C10 C 0.0052(7) -0.4701(6) -0.2474(4) 0.027(2) Uani 1 0 .
C11 C -0.0652(7) -0.5440(6) -0.2749(4) 0.037(3) Uani 1 0 .
C12 C -0.1383(7) -0.5793(7) -0.2141(4) 0.046(3) Uani 1 0 .
C13 C -0.0455(7) -0.6389(7) -0.1543(4) 0.039(3) Uani 1 0 .
C14 C 0.0273(7) -0.5666(6) -0.1263(4) 0.027(2) Uani 1 0 .
C15 C 0.1400(7) -0.3895(6) -0.0745(3) 0.023(2) Uani 1 0 .
Si16 SI 0.00483(16) -0.24813(15) -0.08879(9) 0.0193(6) Uani 1 0 .
C17 C -0.1591(7) -0.2606(7) -0.0780(4) 0.031(3) Uani 1 0 .
C18 C 0.0146(8) -0.1556(6) -0.0138(4) 0.029(3) Uani 1 0 .
N19 N 0.0307(4) -0.2012(4) -0.1736(2) 0.0160(17) Uani 1 0 .
Si20 SI -0.07879(17) -0.08128(14) -0.21274(9) 0.0187(6) Uani 1 0 .
C21 C -0.1869(7) 0.0277(6) -0.1500(4) 0.025(3) Uani 1 0 .
C22 C -0.1867(7) -0.1169(6) -0.2760(4) 0.028(3) Uani 1 0 .
C23 C 0.0167(6) -0.0108(5) -0.2660(4) 0.023(2) Uani 1 0 .
P24 P 0.18524(15) -0.11024(13) -0.27485(8) 0.0182(5) Uani 1 0 .
C25 C 0.2685(6) -0.0470(5) -0.2111(3) 0.020(2) Uani 1 0 .
C26 C 0.2333(7) -0.0636(6) -0.1317(4) 0.027(2) Uani 1 0 .
C27 C 0.3006(7) -0.0074(6) -0.0808(3) 0.032(3) Uani 1 0 .
C28 C 0.4458(7) -0.0499(6) -0.0940(4) 0.035(3) Uani 1 0 .
C29 C 0.4772(7) -0.0302(7) -0.1728(3) 0.036(3) Uani 1 0 .
C30 C 0.4132(7) -0.0881(6) -0.2225(3) 0.027(2) Uani 1 0 .
C31 C 0.2345(6) -0.0665(5) -0.3648(3) 0.021(2) Uani 1 0 .
C32 C 0.2165(7) 0.0596(5) -0.3705(4) 0.028(2) Uani 1 0 .
C33 C 0.2586(7) 0.0898(6) -0.4450(4) 0.036(3) Uani 1 0 .
C34 C 0.1862(8) 0.0598(6) -0.5049(4) 0.035(3) Uani 1 0 .
C35 C 0.2050(7) -0.0651(6) -0.5015(3) 0.028(2) Uani 1 0 .
C36 C 0.1655(7) -0.0975(6) -0.4267(3) 0.023(2) Uani 1 0 .
P37 P 0.31816(15) -0.39317(13) -0.32935(8) 0.0164(5) Uani 1 0 .
C38 C 0.4478(6) -0.3463(5) -0.3671(3) 0.018(2) Uani 1 0 .
C39 C 0.5377(6) -0.3364(5) -0.3183(4) 0.024(2) Uani 1 0 .
C40 C 0.6298(7) -0.2925(6) -0.3399(4) 0.031(3) Uani 1 0 .
C41 C 0.6328(7) -0.2555(6) -0.4105(4) 0.037(3) Uani 1 0 .
C42 C 0.5483(7) -0.2680(6) -0.4604(4) 0.035(3) Uani 1 0 .
C43 C 0.4563(7) -0.3141(5) -0.4393(4) 0.025(2) Uani 1 0 .
C44 C 0.2232(6) -0.3961(5) -0.4099(3) 0.020(2) Uani 1 0 .
C45 C 0.2779(7) -0.4566(6) -0.4717(3) 0.027(2) Uani 1 0 .
C46 C 0.2030(7) -0.4589(6) -0.5299(4) 0.030(3) Uani 1 0 .
C47 C 0.0680(7) -0.4031(6) -0.5259(4) 0.036(3) Uani 1 0 .
C48 C 0.0124(6) -0.3449(5) -0.4647(4) 0.025(2) Uani 1 0 .
C49 C 0.0898(6) -0.3402(5) -0.4071(3) 0.023(2) Uani 1 0 .
C50 C 0.4112(6) -0.5492(5) -0.3246(3) 0.017(2) Uani 1 0 .
C51 C 0.3417(7) -0.6215(5) -0.3272(3) 0.023(2) Uani 1 0 .
C52 C 0.4039(7) -0.7379(6) -0.3205(4) 0.032(3) Uani 1 0 .
C53 C 0.5347(8) -0.7860(6) -0.3110(4) 0.037(3) Uani 1 0 .
C54 C 0.6065(7) -0.7172(6) -0.3098(4) 0.034(3) Uani 1 0 .
C55 C 0.5434(7) -0.5998(6) -0.3161(4) 0.028(2) Uani 1 0 .
H1 H 0.393(4) -0.599(4) -0.180(2) -0.012(11) Uiso 1 0 .
H2 H 0.465(5) -0.468(5) -0.137(3) 0.019(17) Uiso 1 0 .
H3 H 0.424(5) -0.486(4) -0.059(3) 0.011(15) Uiso 1 0 .
H4 H 0.636(5) -0.648(4) -0.147(3) 0.014(15) Uiso 1 0 .
H5 H 0.666(6) -0.597(5) -0.079(3) 0.04(2) Uiso 1 0 .
H6 H 0.681(7) -0.775(6) -0.044(3) 0.05(2) Uiso 1 0 .
H7 H 0.559(6) -0.674(5) -0.006(3) 0.03(2) Uiso 1 0 .
H8 H 0.536(5) -0.798(5) -0.126(3) 0.020(16) Uiso 1 0 .
H9 H 0.478(5) -0.802(5) -0.054(3) 0.011(16) Uiso 1 0 .
H10 H 0.330(5) -0.640(5) -0.051(3) 0.015(17) Uiso 1 0 .
H11 H 0.294(6) -0.697(5) -0.111(3) 0.027(18) Uiso 1 0 .
H12 H 0.155(5) -0.595(4) -0.204(3) -0.004(13) Uiso 1 0 .
H13 H -0.058(5) -0.395(4) -0.230(3) 0.004(14) Uiso 1 0 .
H14 H 0.047(5) -0.454(4) -0.284(3) 0.004(14) Uiso 1 0 .
H15 H -0.124(6) -0.501(5) -0.313(3) 0.04(2) Uiso 1 0 .
H16 H 0.003(6) -0.617(5) -0.305(3) 0.034(19) Uiso 1 0 .
H17 H -0.205(6) -0.515(5) -0.194(3) 0.025(19) Uiso 1 0 .
H18 H -0.171(5) -0.639(5) -0.232(3) 0.020(16) Uiso 1 0 .
H19 H -0.090(5) -0.651(5) -0.125(3) 0.006(15) Uiso 1 0 .
H20 H 0.016(5) -0.714(5) -0.173(3) 0.016(16) Uiso 1 0 .
H21 H 0.077(8) -0.616(6) -0.093(4) 0.07(3) Uiso 1 0 .
H22 H -0.031(5) -0.499(5) -0.108(3) 0.014(16) Uiso 1 0 .
H23 H 0.118(6) -0.433(5) -0.046(3) 0.04(2) Uiso 1 0 .
H24 H 0.196(6) -0.366(5) -0.056(3) 0.018(17) Uiso 1 0 .
H25 H -0.224(5) -0.195(4) -0.080(3) -0.001(14) Uiso 1 0 .
H26 H -0.184(6) -0.303(5) -0.118(3) 0.025(18) Uiso 1 0 .
H27 H -0.162(8) -0.297(7) -0.038(4) 0.07(3) Uiso 1 0 .
H28 H 0.094(5) -0.146(4) -0.011(3) 0.010(16) Uiso 1 0 .
H29 H -0.051(7) -0.075(6) -0.017(4) 0.05(2) Uiso 1 0 .
H30 H 0.005(6) -0.181(5) 0.034(3) 0.04(2) Uiso 1 0 .
H31 H -0.142(6) 0.057(5) -0.124(3) 0.024(19) Uiso 1 0 .
H32 H -0.240(6) 0.098(5) -0.179(3) 0.020(17) Uiso 1 0 .
H33 H -0.240(7) 0.010(6) -0.132(4) 0.05(3) Uiso 1 0 .
H34 H -0.250(7) -0.048(6) -0.293(4) 0.05(2) Uiso 1 0 .
H35 H -0.150(8) -0.157(6) -0.312(4) 0.06(3) Uiso 1 0 .
H36 H -0.242(6) -0.153(5) -0.250(3) 0.030(19) Uiso 1 0 .
H37 H -0.019(6) 0.006(5) -0.313(3) 0.023(17) Uiso 1 0 .
H38 H 0.002(6) 0.065(5) -0.239(3) 0.04(2) Uiso 1 0 .
H39 H 0.224(5) 0.039(4) -0.219(3) 0.012(15) Uiso 1 0 .
H40 H 0.140(5) -0.031(4) -0.119(3) 0.001(13) Uiso 1 0 .
H41 H 0.271(5) -0.138(5) -0.124(3) 0.013(16) Uiso 1 0 .
H42 H 0.249(5) 0.082(5) -0.085(3) 0.023(17) Uiso 1 0 .
H43 H 0.276(6) -0.021(5) -0.027(3) 0.035(19) Uiso 1 0 .
H44 H 0.474(6) -0.006(5) -0.063(3) 0.04(2) Uiso 1 0 .
H45 H 0.478(5) -0.135(4) -0.086(3) 0.006(14) Uiso 1 0 .
H46 H 0.434(5) 0.058(4) -0.184(3) 0.006(14) Uiso 1 0 .
H47 H 0.576(6) -0.050(5) -0.187(3) 0.04(2) Uiso 1 0 .
H48 H 0.453(5) -0.176(4) -0.215(3) 0.008(14) Uiso 1 0 .
H49 H 0.429(5) -0.080(4) -0.269(3) 0.015(16) Uiso 1 0 .
H50 H 0.324(4) -0.105(4) -0.372(2) -0.008(12) Uiso 1 0 .
H51 H 0.125(5) 0.109(4) -0.361(2) -0.002(13) Uiso 1 0 .
H52 H 0.270(6) 0.080(5) -0.338(3) 0.021(17) Uiso 1 0 .
H53 H 0.248(5) 0.163(4) -0.443(3) 0.007(15) Uiso 1 0 .
H54 H 0.357(5) 0.045(4) -0.453(3) 0.006(14) Uiso 1 0 .
H55 H 0.109(5) 0.103(4) -0.499(2) -0.012(12) Uiso 1 0 .
H56 H 0.213(6) 0.074(5) -0.553(3) 0.025(17) Uiso 1 0 .
H57 H 0.148(6) -0.080(5) -0.539(3) 0.030(18) Uiso 1 0 .
H58 H 0.301(5) -0.115(4) -0.508(3) 0.008(14) Uiso 1 0 .
H59 H 0.186(5) -0.174(4) -0.428(3) 0.010(15) Uiso 1 0 .
H60 H 0.073(5) -0.060(4) -0.420(3) 0.013(15) Uiso 1 0 .
H61 H 0.533(6) -0.360(5) -0.264(3) 0.04(2) Uiso 1 0 .
H62 H 0.694(7) -0.298(6) -0.300(4) 0.05(2) Uiso 1 0 .
H63 H 0.704(7) -0.229(6) -0.432(3) 0.05(2) Uiso 1 0 .
H64 H 0.544(5) -0.243(5) -0.506(3) 0.015(16) Uiso 1 0 .
H65 H 0.396(5) -0.310(5) -0.472(3) 0.014(16) Uiso 1 0 .
H66 H 0.371(6) -0.496(5) -0.476(3) 0.029(19) Uiso 1 0 .
H67 H 0.244(6) -0.496(5) -0.568(3) 0.03(2) Uiso 1 0 .
H68 H 0.017(6) -0.402(5) -0.566(3) 0.030(19) Uiso 1 0 .
H69 H -0.082(5) -0.300(4) -0.458(3) 0.008(14) Uiso 1 0 .
H70 H 0.051(6) -0.296(5) -0.371(3) 0.025(19) Uiso 1 0 .
H71 H 0.259(5) -0.595(4) -0.329(3) 0.001(14) Uiso 1 0 .
H72 H 0.357(5) -0.774(5) -0.323(3) 0.013(17) Uiso 1 0 .
H73 H 0.574(6) -0.863(5) -0.310(3) 0.026(18) Uiso 1 0 .
H74 H 0.695(5) -0.746(4) -0.313(3) 0.010(15) Uiso 1 0 .
H75 H 0.596(5) -0.561(4) -0.318(3) 0.009(15) Uiso 1 0 .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ru1 0.0144(3) 0.0143(3) 0.0110(4) -0.0067(2) 0.0014(2) 0.0005(2)
P2 0.0147(9) 0.0173(9) 0.0133(9) -0.0069(7) 0.0002(6) 0.0023(7)
C3 0.016(3) 0.018(3) 0.014(3) -0.006(3) 0.003(3) 0.002(3)
C4 0.023(4) 0.021(4) 0.022(4) -0.010(3) -0.003(3) 0.009(3)
C5 0.013(3) 0.031(4) 0.031(4) -0.011(3) -0.005(3) 0.000(3)
C6 0.023(4) 0.021(4) 0.032(4) -0.005(3) -0.009(3) 0.006(3)
C7 0.036(4) 0.014(3) 0.028(4) -0.012(3) -0.002(3) 0.007(3)
C8 0.029(4) 0.023(4) 0.015(3) -0.011(3) -0.001(3) 0.001(3)
C9 0.018(3) 0.021(3) 0.014(3) -0.009(3) -0.002(3) 0.003(3)
C10 0.021(4) 0.027(4) 0.020(4) -0.010(3) -0.002(3) 0.009(3)
C11 0.035(4) 0.035(4) 0.027(4) -0.020(4) -0.013(3) 0.008(3)
C12 0.033(5) 0.049(5) 0.039(5) -0.028(4) -0.007(4) 0.012(4)
C13 0.030(4) 0.041(5) 0.030(4) -0.026(4) -0.000(3) 0.012(4)
C14 0.024(4) 0.026(4) 0.022(4) -0.013(3) -0.001(3) 0.007(3)
C15 0.027(4) 0.024(4) 0.013(3) -0.014(3) 0.002(3) -0.000(3)
Si16 0.0170(9) 0.0207(10) 0.0133(9) -0.0054(8) 0.0025(7) 0.0024(7)
C17 0.023(4) 0.030(4) 0.026(4) -0.008(3) 0.001(3) 0.010(3)
C18 0.034(4) 0.027(4) 0.016(4) -0.006(3) 0.003(3) 0.000(3)
N19 0.014(3) 0.012(3) 0.017(3) -0.003(2) 0.005(2) 0.001(2)
Si20 0.0171(9) 0.0182(9) 0.0152(10) -0.0055(8) 0.0010(7) 0.0010(7)
C21 0.020(4) 0.023(4) 0.024(4) -0.005(3) 0.003(3) 0.001(3)
C22 0.022(4) 0.026(4) 0.031(4) -0.004(3) -0.005(3) -0.003(3)
C23 0.021(4) 0.022(4) 0.021(4) -0.004(3) 0.002(3) 0.001(3)
P24 0.0180(9) 0.0164(9) 0.0146(9) -0.0078(7) 0.0010(7) 0.0012(7)
C25 0.023(3) 0.018(3) 0.015(3) -0.009(3) 0.002(3) -0.002(3)
C26 0.027(4) 0.024(4) 0.023(4) -0.010(3) 0.008(3) -0.005(3)
C27 0.042(5) 0.033(4) 0.014(3) -0.019(4) 0.007(3) -0.006(3)
C28 0.043(5) 0.038(5) 0.019(4) -0.025(4) -0.004(3) -0.007(3)
C29 0.032(4) 0.048(5) 0.018(4) -0.025(4) 0.003(3) -0.004(3)
C30 0.030(4) 0.031(4) 0.013(3) -0.020(3) 0.005(3) -0.004(3)
C31 0.021(4) 0.015(3) 0.018(3) -0.009(3) 0.002(3) 0.005(3)
C32 0.032(4) 0.021(4) 0.022(4) -0.017(3) -0.001(3) 0.005(3)
C33 0.040(5) 0.031(4) 0.024(4) -0.025(4) -0.006(3) 0.008(3)
C34 0.035(5) 0.037(4) 0.018(4) -0.016(4) -0.005(3) 0.008(3)
C35 0.036(4) 0.024(4) 0.014(3) -0.015(3) -0.006(3) 0.004(3)
C36 0.026(4) 0.018(3) 0.019(3) -0.009(3) -0.005(3) 0.003(3)
P37 0.0171(9) 0.0152(8) 0.0124(8) -0.0077(7) 0.0011(6) 0.0003(6)
C38 0.016(3) 0.016(3) 0.022(3) -0.005(3) 0.011(3) -0.008(3)
C39 0.023(4) 0.020(3) 0.027(4) -0.011(3) 0.004(3) -0.007(3)
C40 0.021(4) 0.029(4) 0.039(5) -0.011(3) 0.004(3) -0.008(3)
C41 0.030(4) 0.024(4) 0.048(5) -0.016(3) 0.016(4) -0.001(3)
C42 0.033(4) 0.030(4) 0.028(4) -0.006(3) 0.017(3) 0.009(3)
C43 0.025(4) 0.022(4) 0.021(4) -0.007(3) 0.006(3) 0.000(3)
C44 0.026(4) 0.012(3) 0.015(3) -0.010(3) -0.005(3) 0.002(2)
C45 0.028(4) 0.028(4) 0.018(3) -0.010(3) -0.003(3) 0.001(3)
C46 0.039(5) 0.028(4) 0.015(3) -0.012(3) -0.001(3) -0.002(3)
C47 0.043(5) 0.026(4) 0.030(4) -0.019(4) -0.012(4) 0.003(3)
C48 0.021(4) 0.016(3) 0.032(4) -0.005(3) -0.003(3) 0.002(3)
C49 0.024(4) 0.017(3) 0.020(3) -0.010(3) -0.000(3) 0.003(3)
C50 0.017(3) 0.021(3) 0.009(3) -0.006(3) 0.002(2) -0.000(2)
C51 0.025(4) 0.021(3) 0.016(3) -0.009(3) -0.003(3) 0.001(3)
C52 0.037(4) 0.023(4) 0.027(4) -0.015(4) -0.005(3) 0.000(3)
C53 0.050(5) 0.018(4) 0.036(4) -0.004(4) -0.002(4) -0.003(3)
C54 0.029(4) 0.022(4) 0.043(5) -0.003(3) -0.005(4) 0.003(3)
C55 0.025(4) 0.022(4) 0.029(4) -0.010(3) 0.002(3) 0.003(3)

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P2 2.3538(14) . . no
Ru1 P24 2.3764(15) . . no
Ru1 P37 2.2354(15) . . no
Ru1 N19 2.145(4) . . no
P2 C3 1.857(6) . . no
P2 C9 1.884(6) . . no
P2 C15 1.823(6) . . no
P24 C23 1.831(7) . . no
P24 C25 1.873(6) . . no
P24 C31 1.871(6) . . no
P37 C38 1.863(6) . . no
P37 C44 1.848(6) . . no
P37 C50 1.858(6) . . no
Si16 N19 1.716(5) . . no
Si16 C15 1.876(7) . . no
Si16 C17 1.887(7) . . no
Si16 C18 1.862(7) . . no
Si20 N19 1.707(5) . . no
Si20 C21 1.863(7) . . no
Si20 C22 1.865(7) . . no
Si20 C23 1.869(6) . . no
C3 C4 1.545(8) . . no
C3 C8 1.519(8) . . no
C3 H1 0.85(4) . . no
C4 C5 1.516(9) . . no
C4 H2 0.84(5) . . no
C4 H3 1.04(5) . . no
C5 C6 1.525(9) . . no
C5 H4 1.05(5) . . no
C5 H5 0.96(6) . . no
C6 C7 1.533(9) . . no
C6 H6 1.09(7) . . no
C6 H7 0.90(6) . . no
C7 C8 1.517(9) . . no
C7 H8 1.04(6) . . no
C7 H9 0.80(5) . . no
C8 H10 0.81(5) . . no
C8 H11 1.01(6) . . no
C9 C10 1.533(8) . . no
C9 C14 1.529(8) . . no
C9 H12 0.85(5) . . no
C10 C11 1.522(9) . . no
C10 H13 1.00(5) . . no
C10 H14 0.87(5) . . no
C11 C12 1.522(9) . . no
C11 H15 0.98(7) . . no
C11 H16 1.11(6) . . no
C12 C13 1.508(10) . . no
C12 H17 0.95(6) . . no
C12 H18 1.02(6) . . no
C13 C14 1.530(9) . . no
C13 H19 0.78(5) . . no
C13 H20 1.00(5) . . no
C14 H21 0.90(8) . . no
C14 H22 0.92(5) . . no
C15 H23 0.85(6) . . no
C15 H24 0.86(6) . . no
C17 H25 0.87(5) . . no
C17 H26 1.02(6) . . no
C17 H27 0.86(7) . . no
C18 H28 0.94(5) . . no
C18 H29 1.01(7) . . no
C18 H30 0.94(6) . . no
C21 H31 0.88(6) . . no
C21 H32 1.02(6) . . no
C21 H33 0.77(7) . . no
C22 H34 0.95(7) . . no
C22 H35 0.84(7) . . no
C22 H36 1.00(6) . . no
C23 H37 0.95(6) . . no
C23 H38 1.05(6) . . no
C25 C26 1.539(8) . . no
C25 C30 1.504(9) . . no
C25 H39 1.02(5) . . no
C26 C27 1.547(9) . . no
C26 H40 0.99(5) . . no
C26 H41 0.89(5) . . no
C27 C28 1.513(10) . . no
C27 H42 1.06(6) . . no
C27 H43 1.04(6) . . no
C28 C29 1.523(9) . . no
C28 H44 0.94(6) . . no
C28 H45 1.01(5) . . no
C29 C30 1.524(9) . . no
C29 H46 1.05(5) . . no
C29 H47 1.05(6) . . no
C30 H48 1.04(5) . . no
C30 H49 0.88(5) . . no
C31 C32 1.533(8) . . no
C31 C36 1.523(8) . . no
C31 H50 0.94(4) . . no
C32 C33 1.526(8) . . no
C32 H51 0.98(5) . . no
C32 H52 0.96(6) . . no
C33 C34 1.513(9) . . no
C33 H53 0.89(5) . . no
C33 H54 1.04(5) . . no
C34 C35 1.515(9) . . no
C34 H55 0.83(5) . . no
C34 H56 0.96(6) . . no
C35 C36 1.531(8) . . no
C35 H57 1.00(6) . . no
C35 H58 1.02(5) . . no
C36 H59 0.91(5) . . no
C36 H60 0.96(5) . . no
C38 C39 1.397(8) . . no
C38 C43 1.395(8) . . no
C39 C40 1.379(8) . . no
C39 H61 1.05(6) . . no
C40 C41 1.377(9) . . no
C40 H62 1.02(7) . . no
C41 C42 1.377(10) . . no
C41 H63 1.04(6) . . no
C42 C43 1.395(9) . . no
C42 H64 0.88(5) . . no
C43 H65 0.90(5) . . no
C44 C45 1.386(8) . . no
C44 C49 1.383(8) . . no
C45 C46 1.378(9) . . no
C45 H66 0.97(6) . . no
C46 C47 1.399(10) . . no
C46 H67 0.88(6) . . no
C47 C48 1.367(9) . . no
C47 H68 0.94(6) . . no
C48 C49 1.395(8) . . no
C48 H69 1.00(5) . . no
C49 H70 0.88(6) . . no
C50 C51 1.399(8) . . no
C50 C55 1.376(8) . . no
C51 C52 1.378(9) . . no
C51 H71 0.85(5) . . no
C52 C53 1.362(10) . . no
C52 H72 0.82(5) . . no
C53 C54 1.380(10) . . no
C53 H73 0.91(6) . . no
C54 C55 1.391(9) . . no
C54 H74 0.92(5) . . no
C55 H75 0.88(5) . . no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ru1 P24 161.71(5) . . . no
P2 Ru1 P37 98.18(5) . . . no
P2 Ru1 N19 84.73(12) . . . no
P24 Ru1 P37 98.33(5) . . . no
P24 Ru1 N19 82.79(12) . . . no
P37 Ru1 N19 158.51(13) . . . no
Ru1 P2 C3 120.43(18) . . . no
Ru1 P2 C9 118.08(19) . . . no
Ru1 P2 C15 105.1(2) . . . no
C3 P2 C9 102.5(3) . . . no
C3 P2 C15 104.4(3) . . . no
C9 P2 C15 104.6(3) . . . no
Ru1 P24 C23 109.5(2) . . . no
Ru1 P24 C25 112.0(2) . . . no
Ru1 P24 C31 127.7(2) . . . no
C23 P24 C25 101.0(3) . . . no
C23 P24 C31 101.9(3) . . . no
C25 P24 C31 101.3(3) . . . no
Ru1 P37 C38 117.07(19) . . . no
Ru1 P37 C44 114.7(2) . . . no
Ru1 P37 C50 122.91(18) . . . no
C38 P37 C44 103.5(3) . . . no
C38 P37 C50 99.1(3) . . . no
C44 P37 C50 95.9(3) . . . no
N19 Si16 C15 105.9(3) . . . no
N19 Si16 C17 113.1(3) . . . no
N19 Si16 C18 114.2(3) . . . no
C15 Si16 C17 111.3(3) . . . no
C15 Si16 C18 106.5(3) . . . no
C17 Si16 C18 105.7(3) . . . no
N19 Si20 C21 116.6(3) . . . no
N19 Si20 C22 111.3(3) . . . no
N19 Si20 C23 106.9(3) . . . no
C21 Si20 C22 106.7(3) . . . no
C21 Si20 C23 106.5(3) . . . no
C22 Si20 C23 108.5(3) . . . no
Ru1 N19 Si16 120.9(2) . . . no
Ru1 N19 Si20 117.3(2) . . . no
Si16 N19 Si20 121.8(3) . . . no
P2 C3 C4 111.6(4) . . . no
P2 C3 C8 116.3(4) . . . no
P2 C3 H1 106(3) . . . no
C4 C3 C8 110.0(5) . . . no
C4 C3 H1 108(3) . . . no
C8 C3 H1 104(3) . . . no
C3 C4 C5 112.1(5) . . . no
C3 C4 H2 109(4) . . . no
C3 C4 H3 107(3) . . . no
C5 C4 H2 111(4) . . . no
C5 C4 H3 107(3) . . . no
H2 C4 H3 111(5) . . . no
C4 C5 C6 112.1(5) . . . no
C4 C5 H4 112(3) . . . no
C4 C5 H5 124(4) . . . no
C6 C5 H4 106(3) . . . no
C6 C5 H5 103(4) . . . no
H4 C5 H5 97(4) . . . no
C5 C6 C7 109.6(5) . . . no
C5 C6 H6 111(3) . . . no
C5 C6 H7 103(4) . . . no
C7 C6 H6 111(3) . . . no
C7 C6 H7 112(4) . . . no
H6 C6 H7 110(5) . . . no
C6 C7 C8 112.7(5) . . . no
C6 C7 H8 104(3) . . . no
C6 C7 H9 113(4) . . . no
C8 C7 H8 117(3) . . . no
C8 C7 H9 107(4) . . . no
H8 C7 H9 105(5) . . . no
C3 C8 C7 111.6(5) . . . no
C3 C8 H10 111(4) . . . no
C3 C8 H11 112(3) . . . no
C7 C8 H10 105(4) . . . no
C7 C8 H11 110(3) . . . no
H10 C8 H11 108(5) . . . no
P2 C9 C10 111.5(4) . . . no
P2 C9 C14 117.0(4) . . . no
P2 C9 H12 104(3) . . . no
C10 C9 C14 109.0(5) . . . no
C10 C9 H12 109(3) . . . no
C14 C9 H12 106(3) . . . no
C9 C10 C11 110.9(5) . . . no
C9 C10 H13 111(3) . . . no
C9 C10 H14 109(4) . . . no
C11 C10 H13 111(3) . . . no
C11 C10 H14 108(3) . . . no
H13 C10 H14 106(4) . . . no
C10 C11 C12 111.8(6) . . . no
C10 C11 H15 107(4) . . . no
C10 C11 H16 110(3) . . . no
C12 C11 H15 112(4) . . . no
C12 C11 H16 113(3) . . . no
H15 C11 H16 101(5) . . . no
C11 C12 C13 109.6(6) . . . no
C11 C12 H17 111(4) . . . no
C11 C12 H18 110(3) . . . no
C13 C12 H17 109(4) . . . no
C13 C12 H18 105(3) . . . no
H17 C12 H18 113(5) . . . no
C12 C13 C14 112.4(6) . . . no
C12 C13 H19 103(4) . . . no
C12 C13 H20 108(3) . . . no
C14 C13 H19 113(4) . . . no
C14 C13 H20 111(3) . . . no
H19 C13 H20 109(5) . . . no
C9 C14 C13 111.2(5) . . . no
C9 C14 H21 115(5) . . . no
C9 C14 H22 106(3) . . . no
C13 C14 H21 99(5) . . . no
C13 C14 H22 110(3) . . . no
H21 C14 H22 115(6) . . . no
P2 C15 Si16 109.7(3) . . . no
P2 C15 H23 115(4) . . . no
P2 C15 H24 107(4) . . . no
Si16 C15 H23 112(4) . . . no
Si16 C15 H24 99(4) . . . no
H23 C15 H24 113(6) . . . no
Si16 C17 H25 114(3) . . . no
Si16 C17 H26 116(3) . . . no
Si16 C17 H27 110(5) . . . no
H25 C17 H26 101(5) . . . no
H25 C17 H27 111(6) . . . no
H26 C17 H27 105(6) . . . no
Si16 C18 H28 115(3) . . . no
Si16 C18 H29 115(4) . . . no
Si16 C18 H30 117(4) . . . no
H28 C18 H29 103(5) . . . no
H28 C18 H30 101(5) . . . no
H29 C18 H30 105(5) . . . no
Si20 C21 H31 111(4) . . . no
Si20 C21 H32 109(3) . . . no
Si20 C21 H33 113(6) . . . no
H31 C21 H32 99(5) . . . no
H31 C21 H33 121(7) . . . no
H32 C21 H33 102(6) . . . no
Si20 C22 H34 108(4) . . . no
Si20 C22 H35 116(5) . . . no
Si20 C22 H36 112(4) . . . no
H34 C22 H35 109(6) . . . no
H34 C22 H36 102(5) . . . no
H35 C22 H36 109(6) . . . no
P24 C23 Si20 109.2(3) . . . no
P24 C23 H37 108(4) . . . no
P24 C23 H38 116(4) . . . no
Si20 C23 H37 108(3) . . . no
Si20 C23 H38 106(3) . . . no
H37 C23 H38 109(5) . . . no
P24 C25 C26 111.3(4) . . . no
P24 C25 C30 113.7(4) . . . no
P24 C25 H39 105(3) . . . no
C26 C25 C30 111.3(5) . . . no
C26 C25 H39 103(3) . . . no
C30 C25 H39 112(3) . . . no
C25 C26 C27 109.9(5) . . . no
C25 C26 H40 116(3) . . . no
C25 C26 H41 104(4) . . . no
C27 C26 H40 106(3) . . . no
C27 C26 H41 106(4) . . . no
H40 C26 H41 114(4) . . . no
C26 C27 C28 112.0(6) . . . no
C26 C27 H42 106(3) . . . no
C26 C27 H43 108(3) . . . no
C28 C27 H42 117(3) . . . no
C28 C27 H43 113(4) . . . no
H42 C27 H43 99(4) . . . no
C27 C28 C29 111.0(6) . . . no
C27 C28 H44 104(4) . . . no
C27 C28 H45 105(3) . . . no
C29 C28 H44 110(4) . . . no
C29 C28 H45 107(3) . . . no
H44 C28 H45 119(5) . . . no
C28 C29 C30 109.7(5) . . . no
C28 C29 H46 107(3) . . . no
C28 C29 H47 117(3) . . . no
C30 C29 H46 106(3) . . . no
C30 C29 H47 111(3) . . . no
H46 C29 H47 104(4) . . . no
C25 C30 C29 112.4(6) . . . no
C25 C30 H48 109(3) . . . no
C25 C30 H49 108(4) . . . no
C29 C30 H48 110(3) . . . no
C29 C30 H49 114(4) . . . no
H48 C30 H49 103(4) . . . no
P24 C31 C32 114.1(4) . . . no
P24 C31 C36 111.3(4) . . . no
P24 C31 H50 110(3) . . . no
C32 C31 C36 110.3(5) . . . no
C32 C31 H50 104(3) . . . no
C36 C31 H50 107(3) . . . no
C31 C32 C33 111.5(5) . . . no
C31 C32 H51 111(3) . . . no
C31 C32 H52 113(3) . . . no
C33 C32 H51 109(3) . . . no
C33 C32 H52 103(3) . . . no
H51 C32 H52 109(4) . . . no
C32 C33 C34 111.1(6) . . . no
C32 C33 H53 105(3) . . . no
C32 C33 H54 110(3) . . . no
C34 C33 H53 116(3) . . . no
C34 C33 H54 108(3) . . . no
H53 C33 H54 106(4) . . . no
C33 C34 C35 111.4(6) . . . no
C33 C34 H55 105(3) . . . no
C33 C34 H56 113(4) . . . no
C35 C34 H55 113(3) . . . no
C35 C34 H56 106(4) . . . no
H55 C34 H56 108(5) . . . no
C34 C35 C36 110.7(6) . . . no
C34 C35 H57 109(3) . . . no
C34 C35 H58 111(3) . . . no
C36 C35 H57 108(3) . . . no
C36 C35 H58 105(3) . . . no
H57 C35 H58 113(4) . . . no
C31 C36 C35 113.0(5) . . . no
C31 C36 H59 111(3) . . . no
C31 C36 H60 110(3) . . . no
C35 C36 H59 105(3) . . . no
C35 C36 H60 109(3) . . . no
H59 C36 H60 109(4) . . . no
P37 C38 C39 117.2(4) . . . no
P37 C38 C43 124.5(5) . . . no
C39 C38 C43 118.2(6) . . . no
C38 C39 C40 121.3(6) . . . no
C38 C39 H61 120(3) . . . no
C40 C39 H61 119(4) . . . no
C39 C40 C41 119.9(7) . . . no
C39 C40 H62 112(4) . . . no
C41 C40 H62 128(4) . . . no
C40 C41 C42 120.0(6) . . . no
C40 C41 H63 125(4) . . . no
C42 C41 H63 115(4) . . . no
C41 C42 C43 120.4(6) . . . no
C41 C42 H64 124(4) . . . no
C43 C42 H64 116(4) . . . no
C38 C43 C42 120.0(7) . . . no
C38 C43 H65 123(4) . . . no
C42 C43 H65 116(3) . . . no
P37 C44 C45 123.3(5) . . . no
P37 C44 C49 118.5(5) . . . no
C45 C44 C49 118.1(6) . . . no
C44 C45 C46 121.5(7) . . . no
C44 C45 H66 120(4) . . . no
C46 C45 H66 118(4) . . . no
C45 C46 C47 119.7(7) . . . no
C45 C46 H67 117(4) . . . no
C47 C46 H67 123(4) . . . no
C46 C47 C48 119.4(7) . . . no
C46 C47 H68 120(4) . . . no
C48 C47 H68 120(4) . . . no
C47 C48 C49 120.2(6) . . . no
C47 C48 H69 125(3) . . . no
C49 C48 H69 114(3) . . . no
C44 C49 C48 121.0(6) . . . no
C44 C49 H70 122(4) . . . no
C48 C49 H70 117(4) . . . no
P37 C50 C51 117.9(5) . . . no
P37 C50 C55 125.1(5) . . . no
C51 C50 C55 116.9(6) . . . no
C50 C51 C52 120.9(6) . . . no
C50 C51 H71 121(3) . . . no
C52 C51 H71 117(3) . . . no
C51 C52 C53 121.1(7) . . . no
C51 C52 H72 115(4) . . . no
C53 C52 H72 124(4) . . . no
C52 C53 C54 119.5(7) . . . no
C52 C53 H73 119(4) . . . no
C54 C53 H73 121(4) . . . no
C53 C54 C55 119.3(7) . . . no
C53 C54 H74 122(3) . . . no
C55 C54 H74 118(3) . . . no
C50 C55 C54 122.2(6) . . . no
C50 C55 H75 123(4) . . . no
C54 C55 H75 115(4) . . . no

data_01107
_database_code_CSD               197076

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H56 Cl N P2 Ru Si2'
_chemical_formula_sum            'C22 H56 Cl N P2 Ru Si2'
_chemical_formula_weight         589.32

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'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.8336(3)
_cell_length_b                   13.0180(3)
_cell_length_c                   31.9522(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6170.1(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    9648
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      39.99

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.7983
_exptl_absorpt_correction_T_max  0.7983
_exptl_absorpt_process_details   'SADABS, R. Blessing (1995)'

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_details      
'0.30 degree frames measured for 10 seconds each'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_method       \w-scans
_diffrn_detector                 'CCD area detector'
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_detector_area_resol_mean 44.52
_diffrn_standards_number         9649
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  504
_diffrn_standards_decay_%        0.0
_diffrn_reflns_number            233336
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         40.02
_reflns_number_total             19135
_reflns_number_gt                14501
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, current version)'
_computing_cell_refinement       'SAINT (Bruker, current version)'
_computing_data_reduction        'SAINT (Bruker, current version)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker), XTEL (Local Library)'
_computing_publication_material  ?

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR 
and 
goodness of fit S are based on F^2^, conventional R-factors R are 
based 
on F, with F set to zero for negative F^2^. The threshold expression 
of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. 
and is 
not relevant to the choice of reflections for refinement.  R-factors 
based 
on F^2^ are statistically about twice as large as those based on F, 
and R- 
factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
calc w=1/[\s^2^(Fo^2^)+(0.0269P)^2^+3.7273P] where 
P=(Fo^2^+2Fc^2^)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         19135
_refine_ls_number_parameters     330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0776
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Ru1 Ru -0.023092(5) 0.234412(6) 0.644820(2) 0.01335(2) Uani 1 1 d . . .
Cl1 Cl -0.14680(2) 0.10124(2) 0.641773(11) 0.02707(6) Uani 1 1 d . . .
P1 P -0.106302(19) 0.36259(2) 0.680215(9) 0.01616(5) Uani 1 1 d . . .
P2 P 0.08746(2) 0.14619(2) 0.606185(9) 0.01544(5) Uani 1 1 d . . .
Si1 Si -0.17999(2) 0.36946(3) 0.588981(12) 0.02452(7) Uani 1 1 d . . .
Si2 Si 0.00424(2) 0.30928(3) 0.546998(10) 0.01879(6) Uani 1 1 d . . .
N1 N -0.08574(7) 0.28514(8) 0.58189(3) 0.01865(16) Uani 1 1 d . . .
C1 C -0.19087(13) 0.47065(15) 0.54739(6) 0.0403(4) Uani 1 1 d . . .
H1A H -0.1384 0.5163 0.5484 0.058(7) Uiso 1 1 calc R . .
H1B H -0.2459 0.5106 0.5522 0.067(8) Uiso 1 1 calc R . .
H1C H -0.1940 0.4378 0.5198 0.062(8) Uiso 1 1 calc R . .
C2 C -0.28335(10) 0.28941(16) 0.58360(6) 0.0402(4) Uani 1 1 d . . .
H2A H -0.2823 0.2343 0.6045 0.059(8) Uiso 1 1 calc R . .
H2B H -0.2854 0.2595 0.5555 0.056(7) Uiso 1 1 calc R . .
H2C H -0.3368 0.3324 0.5880 0.068(8) Uiso 1 1 calc R . .
C3 C -0.15885(9) 0.44072(10) 0.63893(4) 0.0237(2) Uani 1 1 d . . .
H3A H -0.1193 0.5002 0.6329 0.046(6) Uiso 1 1 calc R . .
H3B H -0.2169 0.4678 0.6495 0.049(7) Uiso 1 1 calc R . .
C4 C -0.03541(8) 0.46122(10) 0.70978(4) 0.0237(2) Uani 1 1 d . . .
C5 C -0.00299(11) 0.41574(14) 0.75151(5) 0.0342(3) Uani 1 1 d . . .
H5A H 0.0336 0.4667 0.7664 0.045(6) Uiso 1 1 calc R . .
H5B H 0.0334 0.3543 0.7461 0.044(6) Uiso 1 1 calc R . .
H5C H -0.0553 0.3972 0.7687 0.051(7) Uiso 1 1 calc R . .
C6 C -0.08539(11) 0.56379(11) 0.71719(5) 0.0322(3) Uani 1 1 d . . .
H6A H -0.0458 0.6113 0.7323 0.047(6) Uiso 1 1 calc R . .
H6B H -0.1398 0.5512 0.7338 0.041(6) Uiso 1 1 calc R . .
H6C H -0.1023 0.5939 0.6902 0.049(7) Uiso 1 1 calc R . .
C7 C 0.04877(9) 0.48920(11) 0.68429(5) 0.0291(3) Uani 1 1 d . . .
H7A H 0.0846 0.5398 0.6998 0.036(5) Uiso 1 1 calc R . .
H7B H 0.0305 0.5184 0.6573 0.042(6) Uiso 1 1 calc R . .
H7C H 0.0850 0.4273 0.6795 0.037(5) Uiso 1 1 calc R . .
C8 C -0.20251(9) 0.32370(10) 0.71586(4) 0.0254(2) Uani 1 1 d . . .
C9 C -0.28170(10) 0.28963(13) 0.68802(6) 0.0328(3) Uani 1 1 d . . .
H9A H -0.3326 0.2692 0.7057 0.046(6) Uiso 1 1 calc R . .
H9B H -0.2630 0.2313 0.6707 0.051(7) Uiso 1 1 calc R . .
H9C H -0.3000 0.3468 0.6699 0.043(6) Uiso 1 1 calc R . .
C10 C -0.24006(10) 0.40634(13) 0.74513(5) 0.0330(3) Uani 1 1 d . . .
H10A H -0.2895 0.3775 0.7617 0.038(5) Uiso 1 1 calc R . .
H10B H -0.2625 0.4642 0.7285 0.042(6) Uiso 1 1 calc R . .
H10C H -0.1922 0.4302 0.7639 0.036(5) Uiso 1 1 calc R . .
C11 C -0.17178(12) 0.23058(12) 0.74171(5) 0.0342(3) Uani 1 1 d . . .
H11A H -0.2207 0.2089 0.7603 0.048(6) Uiso 1 1 calc R . .
H11B H -0.1189 0.2494 0.7584 0.042(6) Uiso 1 1 calc R . .
H11C H -0.1561 0.1740 0.7228 0.034(5) Uiso 1 1 calc R . .
C12 C -0.03400(13) 0.29333(13) 0.49171(4) 0.0333(3) Uani 1 1 d . . .
H12A H -0.0835 0.3412 0.4860 0.048(6) Uiso 1 1 calc R . .
H12B H -0.0549 0.2227 0.4874 0.048(6) Uiso 1 1 calc R . .
H12C H 0.0163 0.3077 0.4727 0.059(8) Uiso 1 1 calc R . .
C13 C 0.04872(11) 0.44109(11) 0.55590(5) 0.0293(3) Uani 1 1 d . . .
H13A H 0.0679 0.4480 0.5851 0.057(7) Uiso 1 1 calc R . .
H13B H 0.0014 0.4915 0.5499 0.061(8) Uiso 1 1 calc R . .
H13C H 0.1003 0.4532 0.5374 0.051(7) Uiso 1 1 calc R . .
C14 C 0.09887(9) 0.21645(10) 0.55636(4) 0.0229(2) Uani 1 1 d . . .
H14A H 0.1008 0.1664 0.5330 0.043(6) Uiso 1 1 calc R . .
H14B H 0.1567 0.2545 0.5564 0.038(6) Uiso 1 1 calc R . .
C15 C 0.06567(9) 0.00947(10) 0.58838(4) 0.0236(2) Uani 1 1 d . . .
C16 C 0.04094(11) -0.05803(11) 0.62609(5) 0.0310(3) Uani 1 1 d . . .
H16A H 0.0301 -0.1286 0.6166 0.049(7) Uiso 1 1 calc R . .
H16B H -0.0137 -0.0311 0.6394 0.036(6) Uiso 1 1 calc R . .
H16C H 0.0906 -0.0575 0.6463 0.052(7) Uiso 1 1 calc R . .
C17 C 0.14316(12) -0.04195(12) 0.56417(5) 0.0355(3) Uani 1 1 d . . .
H17A H 0.1256 -0.1120 0.5564 0.061(7) Uiso 1 1 calc R . .
H17B H 0.1971 -0.0442 0.5818 0.051(7) Uiso 1 1 calc R . .
H17C H 0.1561 -0.0023 0.5388 0.036(5) Uiso 1 1 calc R . .
C18 C -0.01720(10) 0.01480(12) 0.55934(5) 0.0298(3) Uani 1 1 d . . .
H18A H -0.0316 -0.0543 0.5491 0.041(6) Uiso 1 1 calc R . .
H18B H -0.0039 0.0598 0.5355 0.047(6) Uiso 1 1 calc R . .
H18C H -0.0688 0.0422 0.5749 0.037(5) Uiso 1 1 calc R . .
C19 C 0.20681(8) 0.15400(10) 0.62788(4) 0.0220(2) Uani 1 1 d . . .
C20 C 0.28186(10) 0.13642(14) 0.59543(6) 0.0357(3) Uani 1 1 d . . .
H20A H 0.3408 0.1415 0.6092 0.042(6) Uiso 1 1 calc R . .
H20B H 0.2775 0.1886 0.5734 0.052(7) Uiso 1 1 calc R . .
H20C H 0.2751 0.0680 0.5831 0.046(6) Uiso 1 1 calc R . .
C21 C 0.21691(10) 0.07745(12) 0.66398(5) 0.0307(3) Uani 1 1 d . . .
H21A H 0.2783 0.0812 0.6752 0.059(7) Uiso 1 1 calc R . .
H21B H 0.2052 0.0078 0.6537 0.048(6) Uiso 1 1 calc R . .
H21C H 0.1737 0.0944 0.6861 0.040(6) Uiso 1 1 calc R . .
C22 C 0.22216(9) 0.26266(11) 0.64558(5) 0.0277(2) Uani 1 1 d . . .
H22A H 0.2834 0.2677 0.6569 0.050(7) Uiso 1 1 calc R . .
H22B H 0.1785 0.2761 0.6679 0.032(5) Uiso 1 1 calc R . .
H22C H 0.2143 0.3134 0.6232 0.041(6) Uiso 1 1 calc R . .
H1N H -0.1066(14) 0.2298(16) 0.5784(7) 0.035(5) Uiso 1 1 d . . .
H1R H 0.0382(15) 0.3220(18) 0.6368(7) 0.042(6) Uiso 1 1 d . . .
H2R H 0.0057(16) 0.174(2) 0.6866(8) 0.051(7) Uiso 1 1 d . . .
H3R H 0.0406(18) 0.250(2) 0.6816(8) 0.058(8) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.01276(3) 0.01376(3) 0.01353(3) 0.00097(2) 0.00114(2) 0.00053(2)
Cl1 0.02196(12) 0.02092(12) 0.03832(17) -0.00245(11) 0.00780(11) -0.00674(10)
P1 0.01298(10) 0.01694(11) 0.01856(11) -0.00018(9) 0.00319(9) 0.00151(9)
P2 0.01661(11) 0.01581(11) 0.01389(10) -0.00080(8) 0.00105(8) 0.00222(9)
Si1 0.01858(14) 0.02962(18) 0.02535(16) 0.00245(13) -0.00592(12) 0.00559(13)
Si2 0.02461(15) 0.01715(13) 0.01460(12) 0.00174(10) -0.00140(10) -0.00089(11)
N1 0.0182(4) 0.0186(4) 0.0192(4) 0.0006(3) -0.0037(3) -0.0002(3)
C1 0.0408(8) 0.0436(9) 0.0365(8) 0.0108(7) -0.0063(7) 0.0171(7)
C2 0.0205(6) 0.0522(10) 0.0479(9) -0.0038(8) -0.0104(6) -0.0013(6)
C3 0.0201(5) 0.0216(5) 0.0293(6) 0.0033(4) -0.0008(4) 0.0053(4)
C4 0.0208(5) 0.0246(5) 0.0259(5) -0.0073(4) 0.0032(4) 0.0001(4)
C5 0.0316(7) 0.0446(9) 0.0263(6) -0.0088(6) -0.0035(5) 0.0031(6)
C6 0.0310(7) 0.0240(6) 0.0416(8) -0.0115(5) 0.0079(6) 0.0005(5)
C7 0.0218(5) 0.0274(6) 0.0381(7) -0.0106(5) 0.0060(5) -0.0059(5)
C8 0.0222(5) 0.0242(5) 0.0300(6) -0.0001(4) 0.0119(4) -0.0001(4)
C9 0.0206(5) 0.0329(7) 0.0449(8) -0.0038(6) 0.0107(5) -0.0047(5)
C10 0.0280(6) 0.0350(7) 0.0360(7) -0.0051(6) 0.0155(6) 0.0032(5)
C11 0.0388(8) 0.0311(7) 0.0326(7) 0.0083(6) 0.0165(6) 0.0034(6)
C12 0.0511(9) 0.0308(7) 0.0180(5) 0.0015(5) -0.0084(5) 0.0024(6)
C13 0.0357(7) 0.0210(5) 0.0313(6) 0.0012(5) 0.0041(5) -0.0068(5)
C14 0.0250(5) 0.0263(5) 0.0174(4) 0.0033(4) 0.0056(4) 0.0033(4)
C15 0.0284(6) 0.0177(5) 0.0248(5) -0.0052(4) 0.0009(4) 0.0021(4)
C16 0.0382(7) 0.0174(5) 0.0372(7) 0.0029(5) 0.0026(6) 0.0014(5)
C17 0.0391(8) 0.0290(7) 0.0384(8) -0.0148(6) 0.0057(6) 0.0060(6)
C18 0.0335(7) 0.0308(6) 0.0252(6) -0.0097(5) -0.0026(5) -0.0032(5)
C19 0.0165(4) 0.0255(5) 0.0241(5) -0.0045(4) 0.0000(4) 0.0059(4)
C20 0.0189(5) 0.0473(9) 0.0407(8) -0.0097(7) 0.0069(5) 0.0065(6)
C21 0.0306(6) 0.0315(7) 0.0301(6) -0.0009(5) -0.0094(5) 0.0111(5)
C22 0.0168(4) 0.0287(6) 0.0376(7) -0.0067(5) -0.0027(5) 0.0000(4)

_geom_special_details            
; 
All esds (except the esd in the dihedral angle between two l.s. 
planes) 
are estimated using the full covariance matrix.  The cell esds are 
taken 
into account individually in the estimation of esds in distances, 
angles 
and torsion angles; correlations between esds in cell parameters are 
only 
used when they are defined by crystal symmetry.  An approximate 
(isotropic) 
treatment of cell esds is used for estimating esds involving l.s. 
planes. 
;

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
Ru1 N1 2.3115(10) . ?
Ru1 P2 2.3520(3) . ?
Ru1 P1 2.3636(3) . ?
Ru1 Cl1 2.5263(3) . ?
Ru1 H1R 1.48(2) . ?
Ru1 H2R 1.61(2) . ?
Ru1 H3R 1.52(3) . ?
P1 C3 1.8391(13) . ?
P1 C8 1.8948(12) . ?
P1 C4 1.9097(13) . ?
P2 C14 1.8439(12) . ?
P2 C15 1.8962(13) . ?
P2 C19 1.9041(12) . ?
Si1 N1 1.7919(11) . ?
Si1 C2 1.8618(17) . ?
Si1 C3 1.8724(14) . ?
Si1 C1 1.8781(17) . ?
Si2 N1 1.7672(11) . ?
Si2 C13 1.8602(14) . ?
Si2 C12 1.8669(14) . ?
Si2 C14 1.8762(13) . ?
N1 H1N 0.79(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C7 1.5347(19) . ?
C4 C5 1.536(2) . ?
C4 C6 1.5455(19) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C10 1.5306(19) . ?
C8 C11 1.536(2) . ?
C8 C9 1.539(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.536(2) . ?
C15 C17 1.539(2) . ?
C15 C18 1.542(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.532(2) . ?
C19 C20 1.5384(19) . ?
C19 C22 1.5402(19) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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
N1 Ru1 P2 87.89(3) . . ?
N1 Ru1 P1 90.27(3) . . ?
P2 Ru1 P1 163.725(11) . . ?
N1 Ru1 Cl1 82.56(3) . . ?
P2 Ru1 Cl1 98.691(11) . . ?
P1 Ru1 Cl1 97.098(11) . . ?
N1 Ru1 H1R 82.9(8) . . ?
P2 Ru1 H1R 81.8(9) . . ?
P1 Ru1 H1R 81.9(9) . . ?
Cl1 Ru1 H1R 165.4(8) . . ?
N1 Ru1 H2R 165.8(9) . . ?
P2 Ru1 H2R 90.8(9) . . ?
P1 Ru1 H2R 94.9(9) . . ?
Cl1 Ru1 H2R 83.7(9) . . ?
H1R Ru1 H2R 110.8(12) . . ?
N1 Ru1 H3R 152.2(10) . . ?
P2 Ru1 H3R 92.1(10) . . ?
P1 Ru1 H3R 82.1(10) . . ?
Cl1 Ru1 H3R 124.8(10) . . ?
H1R Ru1 H3R 69.6(13) . . ?
H2R Ru1 H3R 41.9(11) . . ?
C3 P1 C8 105.05(6) . . ?
C3 P1 C4 102.50(6) . . ?
C8 P1 C4 107.28(6) . . ?
C3 P1 Ru1 105.58(4) . . ?
C8 P1 Ru1 119.49(4) . . ?
C4 P1 Ru1 115.08(4) . . ?
C14 P2 C15 102.84(6) . . ?
C14 P2 C19 101.68(6) . . ?
C15 P2 C19 108.53(6) . . ?
C14 P2 Ru1 105.96(4) . . ?
C15 P2 Ru1 119.80(4) . . ?
C19 P2 Ru1 115.53(4) . . ?
N1 Si1 C2 106.74(7) . . ?
N1 Si1 C3 106.30(5) . . ?
C2 Si1 C3 119.59(8) . . ?
N1 Si1 C1 114.03(7) . . ?
C2 Si1 C1 104.86(9) . . ?
C3 Si1 C1 105.67(8) . . ?
N1 Si2 C13 109.60(6) . . ?
N1 Si2 C12 110.34(7) . . ?
C13 Si2 C12 110.80(7) . . ?
N1 Si2 C14 110.49(5) . . ?
C13 Si2 C14 107.72(7) . . ?
C12 Si2 C14 107.85(7) . . ?
Si2 N1 Si1 124.06(6) . . ?
Si2 N1 Ru1 107.21(5) . . ?
Si1 N1 Ru1 112.25(5) . . ?
Si2 N1 H1N 111.6(16) . . ?
Si1 N1 H1N 105.7(16) . . ?
Ru1 N1 H1N 91.0(16) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 Si1 114.10(7) . . ?
P1 C3 H3A 108.7 . . ?
Si1 C3 H3A 108.7 . . ?
P1 C3 H3B 108.7 . . ?
Si1 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C7 C4 C5 107.29(12) . . ?
C7 C4 C6 105.46(12) . . ?
C5 C4 C6 110.51(12) . . ?
C7 C4 P1 110.19(9) . . ?
C5 C4 P1 110.04(10) . . ?
C6 C4 P1 113.11(10) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 C11 109.52(12) . . ?
C10 C8 C9 106.14(12) . . ?
C11 C8 C9 108.05(13) . . ?
C10 C8 P1 116.98(10) . . ?
C11 C8 P1 108.10(9) . . ?
C9 C8 P1 107.73(10) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 Si2 112.86(6) . . ?
P2 C14 H14A 109.0 . . ?
Si2 C14 H14A 109.0 . . ?
P2 C14 H14B 109.0 . . ?
Si2 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C16 C15 C17 108.91(12) . . ?
C16 C15 C18 107.91(12) . . ?
C17 C15 C18 108.21(12) . . ?
C16 C15 P2 110.02(9) . . ?
C17 C15 P2 115.58(10) . . ?
C18 C15 P2 105.92(9) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 109.87(12) . . ?
C21 C19 C22 107.86(11) . . ?
C20 C19 C22 106.08(12) . . ?
C21 C19 P2 109.29(10) . . ?
C20 C19 P2 114.80(10) . . ?
C22 C19 P2 108.68(8) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ru1 P1 C3 -8.12(5) . . . . ?
P2 Ru1 P1 C3 75.26(6) . . . . ?
Cl1 Ru1 P1 C3 -90.65(5) . . . . ?
N1 Ru1 P1 C8 109.75(6) . . . . ?
P2 Ru1 P1 C8 -166.87(6) . . . . ?
Cl1 Ru1 P1 C8 27.22(6) . . . . ?
N1 Ru1 P1 C4 -120.35(6) . . . . ?
P2 Ru1 P1 C4 -36.98(7) . . . . ?
Cl1 Ru1 P1 C4 157.11(5) . . . . ?
N1 Ru1 P2 C14 28.32(5) . . . . ?
P1 Ru1 P2 C14 -55.38(6) . . . . ?
Cl1 Ru1 P2 C14 110.47(5) . . . . ?
N1 Ru1 P2 C15 -87.15(6) . . . . ?
P1 Ru1 P2 C15 -170.86(6) . . . . ?
Cl1 Ru1 P2 C15 -5.01(5) . . . . ?
N1 Ru1 P2 C19 140.04(5) . . . . ?
P1 Ru1 P2 C19 56.33(6) . . . . ?
Cl1 Ru1 P2 C19 -137.82(5) . . . . ?
C13 Si2 N1 Si1 50.58(9) . . . . ?
C12 Si2 N1 Si1 -71.70(9) . . . . ?
C14 Si2 N1 Si1 169.13(7) . . . . ?
C13 Si2 N1 Ru1 -82.89(7) . . . . ?
C12 Si2 N1 Ru1 154.83(6) . . . . ?
C14 Si2 N1 Ru1 35.66(7) . . . . ?
C2 Si1 N1 Si2 129.26(9) . . . . ?
C3 Si1 N1 Si2 -102.04(8) . . . . ?
C1 Si1 N1 Si2 13.96(11) . . . . ?
C2 Si1 N1 Ru1 -99.25(8) . . . . ?
C3 Si1 N1 Ru1 29.45(7) . . . . ?
C1 Si1 N1 Ru1 145.46(8) . . . . ?
P2 Ru1 N1 Si2 -37.24(5) . . . . ?
P1 Ru1 N1 Si2 126.58(5) . . . . ?
Cl1 Ru1 N1 Si2 -136.29(5) . . . . ?
P2 Ru1 N1 Si1 -176.73(5) . . . . ?
P1 Ru1 N1 Si1 -12.90(5) . . . . ?
Cl1 Ru1 N1 Si1 84.22(5) . . . . ?
C8 P1 C3 Si1 -99.65(8) . . . . ?
C4 P1 C3 Si1 148.35(7) . . . . ?
Ru1 P1 C3 Si1 27.52(8) . . . . ?
N1 Si1 C3 P1 -37.69(9) . . . . ?
C2 Si1 C3 P1 83.06(10) . . . . ?
C1 Si1 C3 P1 -159.20(8) . . . . ?
C3 P1 C4 C7 -74.71(11) . . . . ?
C8 P1 C4 C7 174.95(10) . . . . ?
Ru1 P1 C4 C7 39.33(11) . . . . ?
C3 P1 C4 C5 167.18(10) . . . . ?
C8 P1 C4 C5 56.84(11) . . . . ?
Ru1 P1 C4 C5 -78.78(10) . . . . ?
C3 P1 C4 C6 43.05(11) . . . . ?
C8 P1 C4 C6 -67.29(12) . . . . ?
Ru1 P1 C4 C6 157.09(9) . . . . ?
C3 P1 C8 C10 -75.02(13) . . . . ?
C4 P1 C8 C10 33.54(13) . . . . ?
Ru1 P1 C8 C10 166.85(10) . . . . ?
C3 P1 C8 C11 160.87(11) . . . . ?
C4 P1 C8 C11 -90.57(11) . . . . ?
Ru1 P1 C8 C11 42.73(12) . . . . ?
C3 P1 C8 C9 44.34(11) . . . . ?
C4 P1 C8 C9 152.90(10) . . . . ?
Ru1 P1 C8 C9 -73.80(10) . . . . ?
C15 P2 C14 Si2 112.44(8) . . . . ?
C19 P2 C14 Si2 -135.23(7) . . . . ?
Ru1 P2 C14 Si2 -14.10(8) . . . . ?
N1 Si2 C14 P2 -13.83(9) . . . . ?
C13 Si2 C14 P2 105.86(8) . . . . ?
C12 Si2 C14 P2 -134.50(8) . . . . ?
C14 P2 C15 C16 -171.97(10) . . . . ?
C19 P2 C15 C16 80.84(11) . . . . ?
Ru1 P2 C15 C16 -54.87(11) . . . . ?
C14 P2 C15 C17 64.19(12) . . . . ?
C19 P2 C15 C17 -43.00(12) . . . . ?
Ru1 P2 C15 C17 -178.71(9) . . . . ?
C14 P2 C15 C18 -55.60(10) . . . . ?
C19 P2 C15 C18 -162.78(9) . . . . ?
Ru1 P2 C15 C18 61.50(10) . . . . ?
C14 P2 C19 C21 -166.06(9) . . . . ?
C15 P2 C19 C21 -58.08(10) . . . . ?
Ru1 P2 C19 C21 79.74(9) . . . . ?
C14 P2 C19 C20 -42.11(12) . . . . ?
C15 P2 C19 C20 65.87(12) . . . . ?
Ru1 P2 C19 C20 -156.31(10) . . . . ?
C14 P2 C19 C22 76.47(10) . . . . ?
C15 P2 C19 C22 -175.55(9) . . . . ?
Ru1 P2 C19 C22 -37.73(10) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N Cl1 0.79(2) 2.69(2) 3.1957(11) 123.2(18) .
C3 H3B Cl1 0.99 2.68 3.5618(13) 148.9 7_565

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        40.02
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.420
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.092