# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dal09n8
_database_code_depnum_ccdc_archive 'CCDC 1029415'
_audit_update_record             
;
2014-10-15 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H61 P3 Ru Si'
_chemical_formula_weight         763.96

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.5218(5)
_cell_length_b                   12.5407(6)
_cell_length_c                   15.2414(7)
_cell_angle_alpha                87.6054(5)
_cell_angle_beta                 70.3495(5)
_cell_angle_gamma                89.9268(5)
_cell_volume                     1892.16(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9946
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      27.54

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.31
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             808
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7686
_exptl_absorpt_correction_T_max  0.8367
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16781
_diffrn_reflns_av_R_equivalents  0.0121
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         27.54
_reflns_number_total             8620
_reflns_number_gt                8106
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0344P)²+0.9535P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8620
_refine_ls_number_parameters     410
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0225
_refine_ls_wR_factor_ref         0.0647
_refine_ls_wR_factor_gt          0.0633
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_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
Ru Ru 0.547944(11) 0.261411(9) 0.129418(7) 0.01454(4) Uani 1 1 d . . .
P1 P 0.34205(4) 0.17239(3) 0.19416(3) 0.01587(8) Uani 1 1 d . . .
P2 P 0.54373(4) 0.35838(3) 0.25912(3) 0.01553(8) Uani 1 1 d . . .
P3 P 0.77538(4) 0.29856(3) 0.04994(3) 0.02009(8) Uani 1 1 d . . .
Si Si 0.61585(4) 0.11471(3) 0.20338(3) 0.01820(9) Uani 1 1 d . . .
C1 C 0.77885(18) 0.03519(15) 0.16194(14) 0.0323(4) Uani 1 1 d . . .
H1A H 0.7778 -0.0203 0.2094 0.039 Uiso 1 1 calc R . .
H1B H 0.8564 0.0832 0.1516 0.039 Uiso 1 1 calc R . .
H1C H 0.7859 0.0018 0.1035 0.039 Uiso 1 1 calc R . .
C2 C 0.90208(16) 0.29076(15) 0.10995(13) 0.0288(4) Uani 1 1 d . . .
H2A H 0.9488 0.3598 0.1027 0.035 Uiso 1 1 calc R . .
H2B H 0.9678 0.2356 0.0825 0.035 Uiso 1 1 calc R . .
H2C H 0.8567 0.2728 0.1764 0.035 Uiso 1 1 calc R . .
C3 C 0.82838(17) 0.42785(14) -0.01471(12) 0.0281(3) Uani 1 1 d . . .
H3A H 0.9264 0.4288 -0.0461 0.034 Uiso 1 1 calc R . .
H3B H 0.8035 0.4858 0.0289 0.034 Uiso 1 1 calc R . .
H3C H 0.7834 0.4376 -0.0612 0.034 Uiso 1 1 calc R . .
C4 C 0.85579(18) 0.21186(16) -0.04699(13) 0.0321(4) Uani 1 1 d . . .
H4A H 0.9520 0.2304 -0.0743 0.039 Uiso 1 1 calc R . .
H4B H 0.8128 0.2217 -0.0946 0.039 Uiso 1 1 calc R . .
H4C H 0.8455 0.1372 -0.0238 0.039 Uiso 1 1 calc R . .
C11 C 0.48433(16) 0.00196(12) 0.22551(10) 0.0199(3) Uani 1 1 d . . .
C12 C 0.36119(16) 0.03004(12) 0.21479(10) 0.0196(3) Uani 1 1 d . . .
C13 C 0.26026(17) -0.04663(13) 0.22361(11) 0.0232(3) Uani 1 1 d . . .
H13 H 0.1779 -0.0261 0.2154 0.028 Uiso 1 1 calc R . .
C14 C 0.28088(18) -0.15225(13) 0.24433(11) 0.0266(3) Uani 1 1 d . . .
H14 H 0.2127 -0.2045 0.2507 0.032 Uiso 1 1 calc R . .
C15 C 0.40185(19) -0.18156(13) 0.25586(12) 0.0283(4) Uani 1 1 d . . .
H15 H 0.4160 -0.2541 0.2703 0.034 Uiso 1 1 calc R . .
C16 C 0.50209(18) -0.10592(13) 0.24648(11) 0.0256(3) Uani 1 1 d . . .
H16 H 0.5843 -0.1275 0.2544 0.031 Uiso 1 1 calc R . .
C21 C 0.60459(15) 0.15846(12) 0.32430(11) 0.0197(3) Uani 1 1 d . . .
C22 C 0.57252(14) 0.26453(12) 0.34917(10) 0.0183(3) Uani 1 1 d . . .
C23 C 0.55890(17) 0.29290(14) 0.44040(11) 0.0239(3) Uani 1 1 d . . .
H23 H 0.5390 0.3646 0.4574 0.029 Uiso 1 1 calc R . .
C24 C 0.57401(17) 0.21824(14) 0.50568(11) 0.0271(3) Uani 1 1 d . . .
H24 H 0.5629 0.2388 0.5671 0.033 Uiso 1 1 calc R . .
C25 C 0.60529(17) 0.11390(14) 0.48168(12) 0.0272(3) Uani 1 1 d . . .
H25 H 0.6157 0.0625 0.5263 0.033 Uiso 1 1 calc R . .
C26 C 0.62123(17) 0.08518(13) 0.39203(12) 0.0247(3) Uani 1 1 d . . .
H26 H 0.6441 0.0137 0.3756 0.030 Uiso 1 1 calc R . .
C31 C 0.28067(15) 0.18412(12) 0.09466(10) 0.0199(3) Uani 1 1 d . . .
H31 H 0.1902 0.1493 0.1084 0.024 Uiso 1 1 calc R . .
C32 C 0.39110(16) 0.13103(13) 0.01664(11) 0.0228(3) Uani 1 1 d . . .
H32A H 0.3952 0.0542 0.0332 0.027 Uiso 1 1 calc R . .
H32B H 0.3700 0.1374 -0.0419 0.027 Uiso 1 1 calc R . .
C33 C 0.52671(16) 0.18470(13) 0.00258(10) 0.0217(3) Uani 1 1 d . . .
H33 H 0.6081 0.1473 -0.0377 0.026 Uiso 1 1 calc R . .
C34 C 0.53006(16) 0.29865(13) -0.00776(10) 0.0215(3) Uani 1 1 d . . .
H34 H 0.6049 0.3366 -0.0582 0.026 Uiso 1 1 calc R . .
C35 C 0.41898(16) 0.35506(13) 0.04815(11) 0.0208(3) Uani 1 1 d . . .
H35 H 0.4258 0.4348 0.0438 0.025 Uiso 1 1 calc R . .
C36 C 0.27836(15) 0.30503(12) 0.07400(11) 0.0208(3) Uani 1 1 d . . .
H36A H 0.2431 0.3183 0.0220 0.025 Uiso 1 1 calc R . .
H36B H 0.2169 0.3391 0.1296 0.025 Uiso 1 1 calc R . .
C41 C 0.19574(15) 0.20479(12) 0.29912(10) 0.0190(3) Uani 1 1 d . . .
H41 H 0.1996 0.2838 0.3048 0.023 Uiso 1 1 calc R . .
C42 C 0.05466(16) 0.17946(14) 0.29492(12) 0.0262(3) Uani 1 1 d . . .
H42A H 0.0444 0.2152 0.2386 0.031 Uiso 1 1 calc R . .
H42B H 0.0444 0.1015 0.2908 0.031 Uiso 1 1 calc R . .
C43 C -0.05469(17) 0.21808(15) 0.38213(13) 0.0329(4) Uani 1 1 d . . .
H43A H -0.0477 0.2966 0.3838 0.039 Uiso 1 1 calc R . .
H43B H -0.1448 0.2003 0.3792 0.039 Uiso 1 1 calc R . .
C44 C -0.04086(19) 0.16696(17) 0.47028(13) 0.0369(4) Uani 1 1 d . . .
H44A H -0.0551 0.0889 0.4711 0.044 Uiso 1 1 calc R . .
H44B H -0.1109 0.1951 0.5253 0.044 Uiso 1 1 calc R . .
C45 C 0.09885(19) 0.18987(16) 0.47595(12) 0.0341(4) Uani 1 1 d . . .
H45A H 0.1075 0.1519 0.5319 0.041 Uiso 1 1 calc R . .
H45B H 0.1090 0.2673 0.4824 0.041 Uiso 1 1 calc R . .
C46 C 0.21109(17) 0.15396(14) 0.38868(11) 0.0247(3) Uani 1 1 d . . .
H46A H 0.2079 0.0753 0.3865 0.030 Uiso 1 1 calc R . .
H46B H 0.3000 0.1745 0.3922 0.030 Uiso 1 1 calc R . .
C51 C 0.37921(14) 0.42468(12) 0.32613(10) 0.0179(3) Uani 1 1 d . . .
H51 H 0.3165 0.3642 0.3579 0.022 Uiso 1 1 calc R . .
C52 C 0.31488(15) 0.47790(13) 0.25872(11) 0.0211(3) Uani 1 1 d . . .
H52A H 0.3699 0.5412 0.2270 0.025 Uiso 1 1 calc R . .
H52B H 0.3159 0.4272 0.2104 0.025 Uiso 1 1 calc R . .
C53 C 0.16943(16) 0.51255(14) 0.30783(12) 0.0261(3) Uani 1 1 d . . .
H53A H 0.1359 0.5512 0.2622 0.031 Uiso 1 1 calc R . .
H53B H 0.1114 0.4485 0.3322 0.031 Uiso 1 1 calc R . .
C54 C 0.15922(16) 0.58440(13) 0.38797(12) 0.0261(3) Uani 1 1 d . . .
H54A H 0.2052 0.6534 0.3628 0.031 Uiso 1 1 calc R . .
H54B H 0.0631 0.5988 0.4222 0.031 Uiso 1 1 calc R . .
C55 C 0.22312(17) 0.53261(14) 0.45443(12) 0.0265(3) Uani 1 1 d . . .
H55A H 0.1703 0.4679 0.4850 0.032 Uiso 1 1 calc R . .
H55B H 0.2200 0.5827 0.5036 0.032 Uiso 1 1 calc R . .
C56 C 0.37017(16) 0.50170(13) 0.40421(11) 0.0224(3) Uani 1 1 d . . .
H56A H 0.4076 0.4671 0.4496 0.027 Uiso 1 1 calc R . .
H56B H 0.4247 0.5668 0.3771 0.027 Uiso 1 1 calc R . .
C61 C 0.67492(15) 0.46765(12) 0.23952(10) 0.0190(3) Uani 1 1 d . . .
H61 H 0.7572 0.4409 0.1909 0.023 Uiso 1 1 calc R . .
C62 C 0.72178(17) 0.49448(14) 0.32141(11) 0.0246(3) Uani 1 1 d . . .
H62A H 0.6444 0.5210 0.3728 0.030 Uiso 1 1 calc R . .
H62B H 0.7546 0.4289 0.3448 0.030 Uiso 1 1 calc R . .
C63 C 0.83479(18) 0.57920(16) 0.29173(13) 0.0321(4) Uani 1 1 d . . .
H63A H 0.8605 0.5966 0.3464 0.038 Uiso 1 1 calc R . .
H63B H 0.9151 0.5501 0.2443 0.038 Uiso 1 1 calc R . .
C64 C 0.79138(19) 0.68023(15) 0.25186(13) 0.0317(4) Uani 1 1 d . . .
H64A H 0.8669 0.7328 0.2323 0.038 Uiso 1 1 calc R . .
H64B H 0.7145 0.7120 0.3003 0.038 Uiso 1 1 calc R . .
C65 C 0.74990(17) 0.65474(14) 0.16841(12) 0.0259(3) Uani 1 1 d . . .
H65A H 0.8291 0.6288 0.1180 0.031 Uiso 1 1 calc R . .
H65B H 0.7183 0.7206 0.1445 0.031 Uiso 1 1 calc R . .
C66 C 0.63713(15) 0.56970(12) 0.19496(11) 0.0210(3) Uani 1 1 d . . .
H66A H 0.6171 0.5513 0.1384 0.025 Uiso 1 1 calc R . .
H66B H 0.5543 0.5995 0.2393 0.025 Uiso 1 1 calc R . .


_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
Ru C34 2.1926(15) . ?
Ru C33 2.2713(15) . ?
Ru P1 2.3216(4) . ?
Ru P3 2.3275(4) . ?
Ru P2 2.3518(4) . ?
Ru Si 2.3518(4) . ?
Ru C35 2.3999(15) . ?
P1 C12 1.8223(15) . ?
P1 C31 1.8381(15) . ?
P1 C41 1.8683(15) . ?
P2 C22 1.8720(15) . ?
P2 C61 1.8882(15) . ?
P2 C51 1.8998(15) . ?
P3 C4 1.8363(18) . ?
P3 C3 1.8465(17) . ?
P3 C2 1.8536(17) . ?
Si C21 1.9103(16) . ?
Si C1 1.9117(17) . ?
Si C11 1.9182(16) . ?
C11 C12 1.402(2) . ?
C11 C16 1.404(2) . ?
C12 C13 1.402(2) . ?
C13 C14 1.383(2) . ?
C14 C15 1.389(3) . ?
C15 C16 1.387(2) . ?
C21 C22 1.408(2) . ?
C21 C26 1.408(2) . ?
C22 C23 1.410(2) . ?
C23 C24 1.386(2) . ?
C24 C25 1.383(3) . ?
C25 C26 1.383(2) . ?
C31 C32 1.530(2) . ?
C31 C36 1.538(2) . ?
C32 C33 1.523(2) . ?
C33 C34 1.430(2) . ?
C34 C35 1.404(2) . ?
C35 C36 1.526(2) . ?
C41 C46 1.540(2) . ?
C41 C42 1.541(2) . ?
C42 C43 1.533(2) . ?
C43 C44 1.515(3) . ?
C44 C45 1.529(3) . ?
C45 C46 1.536(2) . ?
C51 C52 1.539(2) . ?
C51 C56 1.542(2) . ?
C52 C53 1.532(2) . ?
C53 C54 1.523(2) . ?
C54 C55 1.517(2) . ?
C55 C56 1.535(2) . ?
C61 C62 1.537(2) . ?
C61 C66 1.538(2) . ?
C62 C63 1.533(2) . ?
C63 C64 1.518(3) . ?
C64 C65 1.523(2) . ?
C65 C66 1.534(2) . ?

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
C34 Ru C33 37.32(6) . . ?
C34 Ru P1 96.77(4) . . ?
C33 Ru P1 78.65(4) . . ?
C34 Ru P3 82.90(4) . . ?
C33 Ru P3 91.06(4) . . ?
P1 Ru P3 162.459(15) . . ?
C34 Ru P2 136.15(4) . . ?
C33 Ru P2 171.24(4) . . ?
P1 Ru P2 98.544(13) . . ?
P3 Ru P2 93.610(14) . . ?
C34 Ru Si 136.50(4) . . ?
C33 Ru Si 100.96(4) . . ?
P1 Ru Si 80.407(14) . . ?
P3 Ru Si 87.770(15) . . ?
P2 Ru Si 86.639(14) . . ?
C34 Ru C35 35.23(6) . . ?
C33 Ru C35 62.71(6) . . ?
P1 Ru C35 80.05(4) . . ?
P3 Ru C35 107.98(4) . . ?
P2 Ru C35 108.73(4) . . ?
Si Ru C35 156.70(4) . . ?
C12 P1 C31 106.01(7) . . ?
C12 P1 C41 101.82(7) . . ?
C31 P1 C41 106.08(7) . . ?
C12 P1 Ru 112.53(5) . . ?
C31 P1 Ru 99.52(5) . . ?
C41 P1 Ru 128.95(5) . . ?
C22 P2 C61 104.86(6) . . ?
C22 P2 C51 102.93(7) . . ?
C61 P2 C51 103.88(7) . . ?
C22 P2 Ru 108.85(5) . . ?
C61 P2 Ru 117.30(5) . . ?
C51 P2 Ru 117.43(5) . . ?
C4 P3 C3 97.58(8) . . ?
C4 P3 C2 99.41(9) . . ?
C3 P3 C2 98.70(8) . . ?
C4 P3 Ru 114.87(6) . . ?
C3 P3 Ru 120.29(6) . . ?
C2 P3 Ru 121.48(6) . . ?
C21 Si C1 104.53(8) . . ?
C21 Si C11 105.24(7) . . ?
C1 Si C11 100.46(8) . . ?
C21 Si Ru 106.37(5) . . ?
C1 Si Ru 129.22(6) . . ?
C11 Si Ru 108.86(5) . . ?
C12 C11 C16 117.34(15) . . ?
C12 C11 Si 116.15(11) . . ?
C16 C11 Si 126.42(12) . . ?
C11 C12 C13 121.41(14) . . ?
C11 C12 P1 114.74(11) . . ?
C13 C12 P1 123.80(12) . . ?
C14 C13 C12 119.82(15) . . ?
C13 C14 C15 119.63(16) . . ?
C16 C15 C14 120.59(15) . . ?
C15 C16 C11 121.20(16) . . ?
C22 C21 C26 118.36(14) . . ?
C22 C21 Si 120.25(11) . . ?
C26 C21 Si 121.32(12) . . ?
C21 C22 C23 118.77(14) . . ?
C21 C22 P2 117.24(11) . . ?
C23 C22 P2 123.95(12) . . ?
C24 C23 C22 121.29(16) . . ?
C25 C24 C23 120.19(15) . . ?
C26 C25 C24 119.25(15) . . ?
C25 C26 C21 122.14(16) . . ?
C32 C31 C36 110.94(13) . . ?
C32 C31 P1 103.49(10) . . ?
C36 C31 P1 104.29(10) . . ?
C33 C32 C31 109.62(12) . . ?
C34 C33 C32 115.95(14) . . ?
C34 C33 Ru 68.35(8) . . ?
C32 C33 Ru 115.90(10) . . ?
C35 C34 C33 118.29(14) . . ?
C35 C34 Ru 80.47(9) . . ?
C33 C34 Ru 74.33(9) . . ?
C34 C35 C36 118.78(14) . . ?
C34 C35 Ru 64.29(8) . . ?
C36 C35 Ru 110.30(10) . . ?
C35 C36 C31 111.39(12) . . ?
C46 C41 C42 110.34(13) . . ?
C46 C41 P1 111.15(10) . . ?
C42 C41 P1 116.08(11) . . ?
C43 C42 C41 110.08(14) . . ?
C44 C43 C42 111.35(15) . . ?
C43 C44 C45 110.91(15) . . ?
C44 C45 C46 111.22(15) . . ?
C45 C46 C41 111.30(14) . . ?
C52 C51 C56 108.70(12) . . ?
C52 C51 P2 110.70(10) . . ?
C56 C51 P2 121.67(10) . . ?
C53 C52 C51 112.86(13) . . ?
C54 C53 C52 111.72(13) . . ?
C55 C54 C53 110.93(13) . . ?
C54 C55 C56 112.02(13) . . ?
C55 C56 C51 110.71(13) . . ?
C62 C61 C66 110.68(13) . . ?
C62 C61 P2 118.10(11) . . ?
C66 C61 P2 111.82(10) . . ?
C63 C62 C61 111.24(13) . . ?
C64 C63 C62 111.56(14) . . ?
C63 C64 C65 110.04(15) . . ?
C64 C65 C66 111.20(13) . . ?
C65 C66 C61 112.44(13) . . ?

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
C34 Ru P1 C12 111.57(7) . . . . ?
C33 Ru P1 C12 78.78(7) . . . . ?
P3 Ru P1 C12 23.71(8) . . . . ?
P2 Ru P1 C12 -109.65(5) . . . . ?
Si Ru P1 C12 -24.55(5) . . . . ?
C35 Ru P1 C12 142.70(7) . . . . ?
C34 Ru P1 C31 -0.30(7) . . . . ?
C33 Ru P1 C31 -33.09(7) . . . . ?
P3 Ru P1 C31 -88.15(7) . . . . ?
P2 Ru P1 C31 138.49(5) . . . . ?
Si Ru P1 C31 -136.42(5) . . . . ?
C35 Ru P1 C31 30.84(6) . . . . ?
C34 Ru P1 C41 -120.08(8) . . . . ?
C33 Ru P1 C41 -152.87(8) . . . . ?
P3 Ru P1 C41 152.07(7) . . . . ?
P2 Ru P1 C41 18.70(7) . . . . ?
Si Ru P1 C41 103.80(6) . . . . ?
C35 Ru P1 C41 -88.95(7) . . . . ?
C34 Ru P2 C22 -178.15(8) . . . . ?
C33 Ru P2 C22 143.3(3) . . . . ?
P1 Ru P2 C22 72.67(5) . . . . ?
P3 Ru P2 C22 -94.65(5) . . . . ?
Si Ru P2 C22 -7.10(5) . . . . ?
C35 Ru P2 C22 154.99(6) . . . . ?
C34 Ru P2 C61 -59.39(8) . . . . ?
C33 Ru P2 C61 -98.0(3) . . . . ?
P1 Ru P2 C61 -168.57(5) . . . . ?
P3 Ru P2 C61 24.11(5) . . . . ?
Si Ru P2 C61 111.66(5) . . . . ?
C35 Ru P2 C61 -86.25(7) . . . . ?
C34 Ru P2 C51 65.51(8) . . . . ?
C33 Ru P2 C51 26.9(3) . . . . ?
P1 Ru P2 C51 -43.67(6) . . . . ?
P3 Ru P2 C51 149.01(5) . . . . ?
Si Ru P2 C51 -123.44(5) . . . . ?
C35 Ru P2 C51 38.65(7) . . . . ?
C34 Ru P3 C4 -60.63(8) . . . . ?
C33 Ru P3 C4 -24.13(8) . . . . ?
P1 Ru P3 C4 29.37(9) . . . . ?
P2 Ru P3 C4 163.29(7) . . . . ?
Si Ru P3 C4 76.80(7) . . . . ?
C35 Ru P3 C4 -85.69(8) . . . . ?
C34 Ru P3 C3 55.42(8) . . . . ?
C33 Ru P3 C3 91.92(8) . . . . ?
P1 Ru P3 C3 145.42(8) . . . . ?
P2 Ru P3 C3 -80.66(7) . . . . ?
Si Ru P3 C3 -167.15(7) . . . . ?
C35 Ru P3 C3 30.36(8) . . . . ?
C34 Ru P3 C2 179.69(8) . . . . ?
C33 Ru P3 C2 -143.81(8) . . . . ?
P1 Ru P3 C2 -90.31(8) . . . . ?
P2 Ru P3 C2 43.61(7) . . . . ?
Si Ru P3 C2 -42.88(7) . . . . ?
C35 Ru P3 C2 154.63(8) . . . . ?
C34 Ru Si C21 177.62(8) . . . . ?
C33 Ru Si C21 -168.97(6) . . . . ?
P1 Ru Si C21 -92.63(5) . . . . ?
P3 Ru Si C21 100.38(5) . . . . ?
P2 Ru Si C21 6.63(5) . . . . ?
C35 Ru Si C21 -125.95(11) . . . . ?
C34 Ru Si C1 52.35(11) . . . . ?
C33 Ru Si C1 65.76(9) . . . . ?
P1 Ru Si C1 142.10(8) . . . . ?
P3 Ru Si C1 -24.89(8) . . . . ?
P2 Ru Si C1 -118.64(8) . . . . ?
C35 Ru Si C1 108.78(13) . . . . ?
C34 Ru Si C11 -69.43(8) . . . . ?
C33 Ru Si C11 -56.02(6) . . . . ?
P1 Ru Si C11 20.32(5) . . . . ?
P3 Ru Si C11 -146.67(5) . . . . ?
P2 Ru Si C11 119.58(5) . . . . ?
C35 Ru Si C11 -13.00(11) . . . . ?
C21 Si C11 C12 100.38(12) . . . . ?
C1 Si C11 C12 -151.27(12) . . . . ?
Ru Si C11 C12 -13.31(13) . . . . ?
C21 Si C11 C16 -83.11(15) . . . . ?
C1 Si C11 C16 25.24(16) . . . . ?
Ru Si C11 C16 163.20(13) . . . . ?
C16 C11 C12 C13 -0.7(2) . . . . ?
Si C11 C12 C13 176.15(12) . . . . ?
C16 C11 C12 P1 176.71(11) . . . . ?
Si C11 C12 P1 -6.45(15) . . . . ?
C31 P1 C12 C11 132.20(12) . . . . ?
C41 P1 C12 C11 -117.04(12) . . . . ?
Ru P1 C12 C11 24.42(13) . . . . ?
C31 P1 C12 C13 -50.47(15) . . . . ?
C41 P1 C12 C13 60.29(14) . . . . ?
Ru P1 C12 C13 -158.25(12) . . . . ?
C11 C12 C13 C14 0.7(2) . . . . ?
P1 C12 C13 C14 -176.44(12) . . . . ?
C12 C13 C14 C15 -0.3(2) . . . . ?
C13 C14 C15 C16 -0.2(3) . . . . ?
C14 C15 C16 C11 0.2(3) . . . . ?
C12 C11 C16 C15 0.2(2) . . . . ?
Si C11 C16 C15 -176.25(13) . . . . ?
C1 Si C21 C22 133.95(13) . . . . ?
C11 Si C21 C22 -120.68(12) . . . . ?
Ru Si C21 C22 -5.26(13) . . . . ?
C1 Si C21 C26 -49.26(14) . . . . ?
C11 Si C21 C26 56.11(14) . . . . ?
Ru Si C21 C26 171.54(11) . . . . ?
C26 C21 C22 C23 0.2(2) . . . . ?
Si C21 C22 C23 177.10(11) . . . . ?
C26 C21 C22 P2 -177.41(11) . . . . ?
Si C21 C22 P2 -0.52(16) . . . . ?
C61 P2 C22 C21 -120.18(12) . . . . ?
C51 P2 C22 C21 131.42(12) . . . . ?
Ru P2 C22 C21 6.12(13) . . . . ?
C61 P2 C22 C23 62.34(14) . . . . ?
C51 P2 C22 C23 -46.06(14) . . . . ?
Ru P2 C22 C23 -171.36(12) . . . . ?
C21 C22 C23 C24 -1.2(2) . . . . ?
P2 C22 C23 C24 176.25(12) . . . . ?
C22 C23 C24 C25 1.1(3) . . . . ?
C23 C24 C25 C26 0.0(3) . . . . ?
C24 C25 C26 C21 -1.0(2) . . . . ?
C22 C21 C26 C25 0.9(2) . . . . ?
Si C21 C26 C25 -175.97(13) . . . . ?
C12 P1 C31 C32 -58.87(11) . . . . ?
C41 P1 C31 C32 -166.59(10) . . . . ?
Ru P1 C31 C32 58.02(10) . . . . ?
C12 P1 C31 C36 -175.00(10) . . . . ?
C41 P1 C31 C36 77.27(11) . . . . ?
Ru P1 C31 C36 -58.11(10) . . . . ?
C36 C31 C32 C33 55.55(16) . . . . ?
P1 C31 C32 C33 -55.78(14) . . . . ?
C31 C32 C33 C34 -50.27(18) . . . . ?
C31 C32 C33 Ru 27.03(16) . . . . ?
P1 Ru C33 C34 117.50(9) . . . . ?
P3 Ru C33 C34 -76.80(9) . . . . ?
P2 Ru C33 C34 45.4(3) . . . . ?
Si Ru C33 C34 -164.74(8) . . . . ?
C35 Ru C33 C34 32.94(9) . . . . ?
C34 Ru C33 C32 -109.30(15) . . . . ?
P1 Ru C33 C32 8.20(11) . . . . ?
P3 Ru C33 C32 173.89(11) . . . . ?
P2 Ru C33 C32 -63.9(3) . . . . ?
Si Ru C33 C32 85.96(11) . . . . ?
C35 Ru C33 C32 -76.36(12) . . . . ?
C32 C33 C34 C35 39.5(2) . . . . ?
Ru C33 C34 C35 -69.75(13) . . . . ?
C32 C33 C34 Ru 109.24(12) . . . . ?
C33 Ru C34 C35 123.11(13) . . . . ?
P1 Ru C34 C35 61.97(9) . . . . ?
P3 Ru C34 C35 -135.70(9) . . . . ?
P2 Ru C34 C35 -47.88(11) . . . . ?
Si Ru C34 C35 145.16(8) . . . . ?
P1 Ru C34 C33 -61.13(9) . . . . ?
P3 Ru C34 C33 101.20(9) . . . . ?
P2 Ru C34 C33 -170.99(7) . . . . ?
Si Ru C34 C33 22.05(12) . . . . ?
C35 Ru C34 C33 -123.11(13) . . . . ?
C33 C34 C35 C36 -33.7(2) . . . . ?
Ru C34 C35 C36 -100.07(13) . . . . ?
C33 C34 C35 Ru 66.34(12) . . . . ?
C33 Ru C35 C34 -34.85(9) . . . . ?
P1 Ru C35 C34 -117.13(9) . . . . ?
P3 Ru C35 C34 46.78(10) . . . . ?
P2 Ru C35 C34 147.14(8) . . . . ?
Si Ru C35 C34 -83.77(13) . . . . ?
C34 Ru C35 C36 113.06(15) . . . . ?
C33 Ru C35 C36 78.20(11) . . . . ?
P1 Ru C35 C36 -4.08(10) . . . . ?
P3 Ru C35 C36 159.83(9) . . . . ?
P2 Ru C35 C36 -99.80(10) . . . . ?
Si Ru C35 C36 29.29(17) . . . . ?
C34 C35 C36 C31 38.90(19) . . . . ?
Ru C35 C36 C31 -32.17(15) . . . . ?
C32 C31 C36 C35 -49.89(16) . . . . ?
P1 C31 C36 C35 60.92(14) . . . . ?
C12 P1 C41 C46 45.17(12) . . . . ?
C31 P1 C41 C46 155.88(11) . . . . ?
Ru P1 C41 C46 -87.09(11) . . . . ?
C12 P1 C41 C42 -82.01(13) . . . . ?
C31 P1 C41 C42 28.70(13) . . . . ?
Ru P1 C41 C42 145.73(10) . . . . ?
C46 C41 C42 C43 56.78(18) . . . . ?
P1 C41 C42 C43 -175.64(12) . . . . ?
C41 C42 C43 C44 -58.11(19) . . . . ?
C42 C43 C44 C45 57.4(2) . . . . ?
C43 C44 C45 C46 -55.5(2) . . . . ?
C44 C45 C46 C41 55.0(2) . . . . ?
C42 C41 C46 C45 -55.68(18) . . . . ?
P1 C41 C46 C45 174.07(12) . . . . ?
C22 P2 C51 C52 -162.11(10) . . . . ?
C61 P2 C51 C52 88.75(11) . . . . ?
Ru P2 C51 C52 -42.60(12) . . . . ?
C22 P2 C51 C56 68.40(13) . . . . ?
C61 P2 C51 C56 -40.73(14) . . . . ?
Ru P2 C51 C56 -172.08(10) . . . . ?
C56 C51 C52 C53 -55.63(17) . . . . ?
P2 C51 C52 C53 168.28(11) . . . . ?
C51 C52 C53 C54 54.52(18) . . . . ?
C52 C53 C54 C55 -53.04(19) . . . . ?
C53 C54 C55 C56 55.48(18) . . . . ?
C54 C55 C56 C51 -58.15(18) . . . . ?
C52 C51 C56 C55 56.65(17) . . . . ?
P2 C51 C56 C55 -173.01(11) . . . . ?
C22 P2 C61 C62 -29.97(13) . . . . ?
C51 P2 C61 C62 77.74(13) . . . . ?
Ru P2 C61 C62 -150.83(10) . . . . ?
C22 P2 C61 C66 -160.12(11) . . . . ?
C51 P2 C61 C66 -52.42(12) . . . . ?
Ru P2 C61 C66 79.01(11) . . . . ?
C66 C61 C62 C63 -53.18(18) . . . . ?
P2 C61 C62 C63 176.14(12) . . . . ?
C61 C62 C63 C64 57.0(2) . . . . ?
C62 C63 C64 C65 -58.3(2) . . . . ?
C63 C64 C65 C66 56.81(19) . . . . ?
C64 C65 C66 C61 -54.85(19) . . . . ?
C62 C61 C66 C65 52.60(17) . . . . ?
P2 C61 C66 C65 -173.51(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        26.40
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.061
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dal09d3
_database_code_depnum_ccdc_archive 'CCDC 1029416'
_audit_update_record             
;
2014-10-15 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;
_vrf_PLAT605_dal09d3             
;
RESPONSE:
Attempts to refine peaks of residual electron density as disordered
or partial-occupancy solvent pentane carbon atoms were unsuccessful.
The data were corrected for disordered electron density through use of
the SQUEEZE procedure (Sluis, P. van der; Spek, A. L. Acta Crystallogr.
1990, A46, 194-201) as implemented in PLATON (Spek, A. L. Acta
Crystallogr. 1990, A46, C34; Spek, A. L. J. Appl. Cryst. 2003, 36, 7-13.
PLATON - a multipurpose crystallographic tool.  Utrecht University,
Utrecht, The Netherlands).  A total solvent-accessible void volume of
1229 cubic angstroms with a total electron count of 300 (consistent with
7 molecules of solvent pentane, or 0.875 molecules per formula unit of
the ruthenium complex) was found in the unit cell.
;

_vrf_CHEMW03_dal09d3             
;
RESPONSE:  The reported formula includes the "squeezed" solvent pentane
molecule (see _platon_squeeze_details for more informaion)
;
_vrf_PLAT041_dal09d3             
;
RESPONSE:  The reported formula includes the "squeezed" solvent pentane
molecule (see _platon_squeeze_details for more informaion)
;
_vrf_PLAT068_dal09d3             
;
RESPONSE:  The reported formula includes the "squeezed" solvent pentane
molecule (see _platon_squeeze_details for more informaion)
;
_vrf_FORMU01_dal09d3             
;
RESPONSE:  The reported formula includes the "squeezed" solvent pentane
molecule (see _platon_squeeze_details for more informaion)
;
_vrf_CELLZ01_dal09d3             
;
RESPONSE:  The reported formula includes the "squeezed" solvent pentane
molecule (see _platon_squeeze_details for more informaion)
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44.38 H75.50 P3 Ru Si'
_chemical_formula_weight         831.12

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   I-42m

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

_cell_length_a                   22.5341(9)
_cell_length_b                   22.5341(9)
_cell_length_c                   17.3711(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8820.8(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9976
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      26.28

_exptl_crystal_description       fragment
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3558
_exptl_absorpt_coefficient_mu    0.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8344
_exptl_absorpt_correction_T_max  0.9724
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35591
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.28
_diffrn_reflns_theta_max         26.45
_reflns_number_total             4722
_reflns_number_gt                4371
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0401P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(2)
_refine_ls_number_reflns         4722
_refine_ls_number_parameters     233
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0251
_refine_ls_wR_factor_ref         0.0619
_refine_ls_wR_factor_gt          0.0607
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_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
Ru Ru 0.231402(7) 0.231402(7) 0.277580(12) 0.02199(6) Uani 1 2 d S . .
P1 P 0.16344(2) 0.30311(2) 0.24224(3) 0.02550(13) Uani 1 1 d . A .
P2 P 0.1983(2) 0.1979(3) 0.39826(5) 0.0335(3) Uani 1 2 d P A -1
Si Si 0.30447(3) 0.30447(3) 0.25129(5) 0.02809(18) Uani 1 2 d P A .
C1 C 0.35051(12) 0.35051(12) 0.3210(2) 0.0416(9) Uani 1 2 d S . .
H1A H 0.3804 0.3731 0.2922 0.050 Uiso 0.50 1 calc PR A .
H1B H 0.3703 0.3242 0.3578 0.050 Uiso 0.50 1 calc PR . .
H1C H 0.3245 0.3780 0.3488 0.050 Uiso 0.50 1 calc PR . .
C2 C 0.1878(4) 0.1174(3) 0.4090(4) 0.0554(19) Uani 0.50 1 d P A -1
H2A H 0.1747 0.1086 0.4616 0.066 Uiso 0.50 1 calc PR A -1
H2B H 0.2254 0.0970 0.3988 0.066 Uiso 0.50 1 calc PR A -1
H2C H 0.1577 0.1038 0.3723 0.066 Uiso 0.50 1 calc PR A -1
C3 C 0.2479(3) 0.2109(3) 0.4806(3) 0.0600(18) Uani 0.50 1 d P A -1
H3A H 0.2286 0.1972 0.5279 0.072 Uiso 0.50 1 calc PR A -1
H3B H 0.2565 0.2534 0.4847 0.072 Uiso 0.50 1 calc PR A -1
H3C H 0.2850 0.1890 0.4730 0.072 Uiso 0.50 1 calc PR A -1
C4 C 0.1287(4) 0.2208(4) 0.4349(5) 0.075(3) Uani 0.50 1 d P A -1
H4A H 0.1204 0.1995 0.4829 0.090 Uiso 0.50 1 calc PR A -1
H4B H 0.0977 0.2119 0.3971 0.090 Uiso 0.50 1 calc PR A -1
H4C H 0.1296 0.2635 0.4449 0.090 Uiso 0.50 1 calc PR A -1
C11 C 0.26409(12) 0.36286(9) 0.19111(12) 0.0312(5) Uani 1 1 d . . .
C12 C 0.20254(11) 0.35960(10) 0.18361(12) 0.0306(5) Uani 1 1 d . A .
C13 C 0.17268(13) 0.39985(12) 0.13518(14) 0.0436(7) Uani 1 1 d . . .
H13 H 0.1308 0.3974 0.1296 0.052 Uiso 1 1 calc R A .
C14 C 0.20404(16) 0.44281(13) 0.09586(16) 0.0558(8) Uani 1 1 d . A .
H14 H 0.1837 0.4689 0.0619 0.067 Uiso 1 1 calc R . .
C15 C 0.26422(17) 0.44823(11) 0.10530(16) 0.0540(8) Uani 1 1 d . . .
H15 H 0.2854 0.4788 0.0796 0.065 Uiso 1 1 calc R A .
C16 C 0.29387(14) 0.40869(11) 0.15268(14) 0.0431(6) Uani 1 1 d . A .
H16 H 0.3355 0.4128 0.1593 0.052 Uiso 1 1 calc R . .
C21 C 0.10103(10) 0.27802(11) 0.17892(13) 0.0346(5) Uani 1 1 d . . .
H21 H 0.0771 0.3136 0.1641 0.042 Uiso 1 1 calc R A .
C22 C 0.06068(9) 0.23528(12) 0.22316(15) 0.0411(5) Uani 1 1 d . A .
H22A H 0.0423 0.2567 0.2668 0.049 Uiso 1 1 calc R . .
H22B H 0.0851 0.2027 0.2446 0.049 Uiso 1 1 calc R . .
C23 C 0.01158(12) 0.20870(13) 0.17272(18) 0.0548(8) Uani 1 1 d . . .
H23A H -0.0110 0.1790 0.2029 0.066 Uiso 1 1 calc R A .
H23B H -0.0162 0.2405 0.1570 0.066 Uiso 1 1 calc R . .
C24 C 0.03686(14) 0.17954(12) 0.10216(17) 0.0546(8) Uani 1 1 d . A .
H24A H 0.0041 0.1644 0.0697 0.066 Uiso 1 1 calc R . .
H24B H 0.0618 0.1454 0.1176 0.066 Uiso 1 1 calc R . .
C25 C 0.07382(14) 0.22314(14) 0.05629(16) 0.0562(8) Uani 1 1 d . . .
H25A H 0.0481 0.2558 0.0378 0.067 Uiso 1 1 calc R A .
H25B H 0.0907 0.2028 0.0107 0.067 Uiso 1 1 calc R . .
C26 C 0.12473(12) 0.24920(12) 0.10522(14) 0.0426(7) Uani 1 1 d . A .
H26A H 0.1529 0.2172 0.1189 0.051 Uiso 1 1 calc R . .
H26B H 0.1465 0.2792 0.0746 0.051 Uiso 1 1 calc R . .
C31 C 0.12368(10) 0.35010(10) 0.31462(14) 0.0296(5) Uani 1 1 d . . .
H31 H 0.1035 0.3217 0.3503 0.036 Uiso 1 1 calc R A .
C32 C 0.07514(12) 0.39157(11) 0.28523(17) 0.0506(7) Uani 1 1 d . A .
H32A H 0.0928 0.4205 0.2490 0.061 Uiso 1 1 calc R . .
H32B H 0.0453 0.3681 0.2566 0.061 Uiso 1 1 calc R . .
C33 C 0.04445(12) 0.42491(12) 0.34971(17) 0.0509(7) Uani 1 1 d . . .
H33A H 0.0149 0.4525 0.3274 0.061 Uiso 1 1 calc R A .
H33B H 0.0230 0.3963 0.3829 0.061 Uiso 1 1 calc R . .
C34 C 0.08793(13) 0.45962(12) 0.39812(17) 0.0477(7) Uani 1 1 d . A .
H34A H 0.0669 0.4782 0.4420 0.057 Uiso 1 1 calc R . .
H34B H 0.1059 0.4916 0.3668 0.057 Uiso 1 1 calc R . .
C35 C 0.13632(14) 0.41858(16) 0.42812(17) 0.0636(9) Uani 1 1 d . . .
H35A H 0.1186 0.3900 0.4648 0.076 Uiso 1 1 calc R A .
H35B H 0.1661 0.4424 0.4564 0.076 Uiso 1 1 calc R . .
C36 C 0.16710(12) 0.38454(13) 0.36381(17) 0.0498(7) Uani 1 1 d . A .
H36A H 0.1891 0.4128 0.3309 0.060 Uiso 1 1 calc R . .
H36B H 0.1962 0.3567 0.3866 0.060 Uiso 1 1 calc R . .
H1 H 0.1830(14) 0.1830(14) 0.246(2) 0.085(15) Uiso 1 2 d P A .


_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
Ru H1 1.64(4) . ?
Ru P1 2.3093(6) . ?
Ru P1 2.3093(6) 8 ?
Ru P2 2.3494(9) . ?
Ru Si 2.3729(9) . ?
P1 C12 1.853(2) . ?
P1 C31 1.872(2) . ?
P1 C21 1.873(2) . ?
P2 C4 1.769(9) . ?
P2 C3 1.837(6) . ?
P2 C2 1.839(9) . ?
Si C1 1.902(4) . ?
Si C11 1.911(2) 8 ?
Si C11 1.911(2) . ?
C11 C12 1.395(3) . ?
C11 C16 1.401(3) . ?
C12 C13 1.408(3) . ?
C13 C14 1.380(4) . ?
C14 C15 1.372(4) . ?
C15 C16 1.385(4) . ?
C21 C22 1.531(4) . ?
C21 C26 1.532(3) . ?
C22 C23 1.533(3) . ?
C23 C24 1.503(4) . ?
C24 C25 1.515(4) . ?
C25 C26 1.544(3) . ?
C31 C36 1.513(3) . ?
C31 C32 1.527(3) . ?
C32 C33 1.516(4) . ?
C33 C34 1.510(4) . ?
C34 C35 1.522(4) . ?
C35 C36 1.522(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
H1 Ru P1 86.2(4) . . ?
H1 Ru P1 86.2(4) . 8 ?
P1 Ru P1 149.01(3) . 8 ?
H1 Ru P2 83.0(15) . . ?
P1 Ru P2 104.59(18) . . ?
P1 Ru P2 104.24(18) 8 . ?
H1 Ru Si 149.1(15) . . ?
P1 Ru Si 85.611(15) . . ?
P1 Ru Si 85.611(15) 8 . ?
P2 Ru Si 127.93(4) . . ?
C12 P1 C31 102.01(10) . . ?
C12 P1 C21 103.99(12) . . ?
C31 P1 C21 101.87(10) . . ?
C12 P1 Ru 108.15(8) . . ?
C31 P1 Ru 122.31(8) . . ?
C21 P1 Ru 116.29(8) . . ?
C4 P2 C3 102.3(4) . . ?
C4 P2 C2 97.8(4) . . ?
C3 P2 C2 99.1(4) . . ?
C4 P2 Ru 120.5(4) . . ?
C3 P2 Ru 116.77(19) . . ?
C2 P2 Ru 116.6(3) . . ?
C1 Si C11 103.44(9) . 8 ?
C1 Si C11 103.44(9) . . ?
C11 Si C11 110.88(14) 8 . ?
C1 Si Ru 129.38(13) . . ?
C11 Si Ru 104.63(8) 8 . ?
C11 Si Ru 104.63(8) . . ?
C12 C11 C16 118.1(2) . . ?
C12 C11 Si 119.23(18) . . ?
C16 C11 Si 122.7(2) . . ?
C11 C12 C13 119.8(2) . . ?
C11 C12 P1 117.23(18) . . ?
C13 C12 P1 122.9(2) . . ?
C14 C13 C12 120.2(3) . . ?
C15 C14 C13 120.6(3) . . ?
C14 C15 C16 119.4(3) . . ?
C15 C16 C11 121.8(3) . . ?
C22 C21 C26 111.1(2) . . ?
C22 C21 P1 109.94(16) . . ?
C26 C21 P1 110.92(16) . . ?
C21 C22 C23 112.8(2) . . ?
C24 C23 C22 111.3(2) . . ?
C23 C24 C25 110.7(2) . . ?
C24 C25 C26 111.5(2) . . ?
C21 C26 C25 111.2(2) . . ?
C36 C31 C32 109.8(2) . . ?
C36 C31 P1 111.09(16) . . ?
C32 C31 P1 117.68(17) . . ?
C33 C32 C31 112.5(2) . . ?
C34 C33 C32 111.9(2) . . ?
C33 C34 C35 109.9(2) . . ?
C34 C35 C36 112.4(2) . . ?
C31 C36 C35 112.2(2) . . ?

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
H1 Ru P1 C12 -129.8(14) . . . . ?
P1 Ru P1 C12 -53.61(10) 8 . . . ?
P2 Ru P1 C12 148.42(9) . . . . ?
Si Ru P1 C12 20.32(8) . . . . ?
H1 Ru P1 C31 112.4(15) . . . . ?
P1 Ru P1 C31 -171.41(9) 8 . . . ?
P2 Ru P1 C31 30.62(10) . . . . ?
Si Ru P1 C31 -97.49(9) . . . . ?
H1 Ru P1 C21 -13.3(14) . . . . ?
P1 Ru P1 C21 62.86(11) 8 . . . ?
P2 Ru P1 C21 -95.11(10) . . . . ?
Si Ru P1 C21 136.78(9) . . . . ?
H1 Ru P2 C4 -75.6(4) . . . . ?
P1 Ru P2 C4 8.6(4) . . . . ?
P1 Ru P2 C4 -159.9(4) 8 . . . ?
Si Ru P2 C4 104.5(4) . . . . ?
H1 Ru P2 C3 159.3(4) . . . . ?
P1 Ru P2 C3 -116.4(4) . . . . ?
P1 Ru P2 C3 75.1(4) 8 . . . ?
Si Ru P2 C3 -20.5(5) . . . . ?
H1 Ru P2 C2 42.6(3) . . . . ?
P1 Ru P2 C2 126.8(4) . . . . ?
P1 Ru P2 C2 -41.7(4) 8 . . . ?
Si Ru P2 C2 -137.3(3) . . . . ?
H1 Ru Si C1 180.0 . . . . ?
P1 Ru Si C1 104.873(14) . . . . ?
P1 Ru Si C1 -104.873(14) 8 . . . ?
P2 Ru Si C1 -0.2(2) . . . . ?
H1 Ru Si C11 -58(2) . . . 8 ?
P1 Ru Si C11 -133.46(7) . . . 8 ?
P1 Ru Si C11 16.79(7) 8 . . 8 ?
P2 Ru Si C11 121.4(2) . . . 8 ?
H1 Ru Si C11 58(2) . . . . ?
P1 Ru Si C11 -16.79(7) . . . . ?
P1 Ru Si C11 133.46(7) 8 . . . ?
P2 Ru Si C11 -121.9(2) . . . . ?
C1 Si C11 C12 -127.5(2) . . . . ?
C11 Si C11 C12 122.19(18) 8 . . . ?
Ru Si C11 C12 9.9(2) . . . . ?
C1 Si C11 C16 53.6(2) . . . . ?
C11 Si C11 C16 -56.7(2) 8 . . . ?
Ru Si C11 C16 -168.96(17) . . . . ?
C16 C11 C12 C13 3.3(3) . . . . ?
Si C11 C12 C13 -175.62(17) . . . . ?
C16 C11 C12 P1 -174.33(16) . . . . ?
Si C11 C12 P1 6.7(3) . . . . ?
C31 P1 C12 C11 109.35(19) . . . . ?
C21 P1 C12 C11 -145.00(18) . . . . ?
Ru P1 C12 C11 -20.8(2) . . . . ?
C31 P1 C12 C13 -68.2(2) . . . . ?
C21 P1 C12 C13 37.4(2) . . . . ?
Ru P1 C12 C13 161.64(18) . . . . ?
C11 C12 C13 C14 -0.7(4) . . . . ?
P1 C12 C13 C14 176.8(2) . . . . ?
C12 C13 C14 C15 -2.2(4) . . . . ?
C13 C14 C15 C16 2.4(4) . . . . ?
C14 C15 C16 C11 0.4(4) . . . . ?
C12 C11 C16 C15 -3.2(4) . . . . ?
Si C11 C16 C15 175.69(19) . . . . ?
C12 P1 C21 C22 -174.36(15) . . . . ?
C31 P1 C21 C22 -68.60(17) . . . . ?
Ru P1 C21 C22 66.89(16) . . . . ?
C12 P1 C21 C26 62.39(19) . . . . ?
C31 P1 C21 C26 168.14(17) . . . . ?
Ru P1 C21 C26 -56.37(19) . . . . ?
C26 C21 C22 C23 -51.9(3) . . . . ?
P1 C21 C22 C23 -175.02(17) . . . . ?
C21 C22 C23 C24 54.4(3) . . . . ?
C22 C23 C24 C25 -56.7(3) . . . . ?
C23 C24 C25 C26 57.9(3) . . . . ?
C22 C21 C26 C25 52.1(3) . . . . ?
P1 C21 C26 C25 174.67(19) . . . . ?
C24 C25 C26 C21 -55.7(3) . . . . ?
C12 P1 C31 C36 -62.3(2) . . . . ?
C21 P1 C31 C36 -169.58(19) . . . . ?
Ru P1 C31 C36 58.5(2) . . . . ?
C12 P1 C31 C32 65.4(2) . . . . ?
C21 P1 C31 C32 -41.9(2) . . . . ?
Ru P1 C31 C32 -173.83(16) . . . . ?
C36 C31 C32 C33 -54.4(3) . . . . ?
P1 C31 C32 C33 177.27(18) . . . . ?
C31 C32 C33 C34 56.2(3) . . . . ?
C32 C33 C34 C35 -54.9(3) . . . . ?
C33 C34 C35 C36 54.5(4) . . . . ?
C32 C31 C36 C35 53.6(3) . . . . ?
P1 C31 C36 C35 -174.6(2) . . . . ?
C34 C35 C36 C31 -55.1(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.45
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.061

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.013 611 150 ' '
2 0.500 0.500 -0.013 611 150 ' '
_platon_squeeze_details          
;
Attempts to refine peaks of residual electron density as disordered
or partial-occupancy solvent pentane carbon atoms were unsuccessful.
The data were corrected for disordered electron density through use of
the SQUEEZE procedure (Sluis, P. van der; Spek, A. L. Acta Crystallogr.
1990, A46, 194-201) as implemented in PLATON (Spek, A. L. Acta
Crystallogr. 1990, A46, C34; Spek, A. L. J. Appl. Cryst. 2003, 36, 7-13.
PLATON - a multipurpose crystallographic tool.  Utrecht University,
Utrecht, The Netherlands).  A total solvent-accessible void volume of
1229 cubic angstroms with a total electron count of 300 (consistent with
7 molecules of solvent pentane, or 0.875 molecules per formula unit of
the ruthenium complex) was found in the unit cell.
;
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dal1110
_database_code_depnum_ccdc_archive 'CCDC 1029417'
_audit_update_record             
;
2014-10-15 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H60 P2 Ru Si'
_chemical_formula_sum            'C40 H60 P2 Ru Si'
_chemical_formula_weight         731.98

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   9.8037(3)
_cell_length_b                   10.8919(3)
_cell_length_c                   18.5073(5)
_cell_angle_alpha                73.1497(3)
_cell_angle_beta                 84.6217(3)
_cell_angle_gamma                79.5330(3)
_cell_volume                     1858.13(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9640
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.55

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             776
_exptl_absorpt_coefficient_mu    0.567
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8185
_exptl_absorpt_correction_T_max  0.9330
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16463
_diffrn_reflns_av_R_equivalents  0.0100
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.15
_diffrn_reflns_theta_max         27.56
_reflns_number_total             8480
_reflns_number_gt                8053
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0331P)²+0.6243P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8480
_refine_ls_number_parameters     398
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0202
_refine_ls_wR_factor_ref         0.0626
_refine_ls_wR_factor_gt          0.0566
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.001
_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
Ru Ru 0.326164(10) 0.063037(10) 0.332650(6) 0.01955(4) Uani 1 1 d . . .
P1 P 0.18218(3) 0.26334(3) 0.320579(18) 0.01802(7) Uani 1 1 d . . .
P2 P 0.38427(3) 0.05686(3) 0.209445(19) 0.01830(7) Uani 1 1 d . . .
Si Si 0.12558(4) 0.00401(4) 0.31214(2) 0.02468(9) Uani 1 1 d . . .
C1 C 0.0833(2) -0.16416(17) 0.36022(14) 0.0509(5) Uani 1 1 d . . .
H1A H -0.0038 -0.1731 0.3418 0.061 Uiso 1 1 calc R . .
H1B H 0.0735 -0.1770 0.4150 0.061 Uiso 1 1 calc R . .
H1C H 0.1584 -0.2295 0.3488 0.061 Uiso 1 1 calc R . .
C2 C 0.3187(2) 0.02527(17) 0.45634(9) 0.0383(4) Uani 1 1 d . . .
H2A H 0.3911 0.0554 0.4776 0.046 Uiso 1 1 calc R . .
H2B H 0.2256 0.0392 0.4813 0.046 Uiso 1 1 calc R . .
C3 C 0.3575(2) -0.09241(17) 0.43710(9) 0.0399(4) Uani 1 1 d . . .
H3 H 0.2951 -0.1597 0.4521 0.048 Uiso 1 1 calc R . .
C4 C 0.47544(19) -0.10827(17) 0.38879(10) 0.0397(4) Uani 1 1 d . . .
H4A H 0.4877 -0.1842 0.3683 0.048 Uiso 1 1 calc R . .
H4B H 0.5631 -0.0911 0.4035 0.048 Uiso 1 1 calc R . .
C11 C -0.02794(14) 0.12129(14) 0.33708(8) 0.0238(3) Uani 1 1 d . . .
C12 C 0.00029(14) 0.24030(14) 0.34161(7) 0.0214(3) Uani 1 1 d . . .
C13 C -0.10664(15) 0.33374(15) 0.35795(8) 0.0266(3) Uani 1 1 d . . .
H13 H -0.0867 0.4142 0.3610 0.032 Uiso 1 1 calc R . .
C14 C -0.24194(15) 0.30865(16) 0.36968(9) 0.0297(3) Uani 1 1 d . . .
H14 H -0.3146 0.3722 0.3806 0.036 Uiso 1 1 calc R . .
C15 C -0.27145(15) 0.19124(16) 0.36558(9) 0.0294(3) Uani 1 1 d . . .
H15 H -0.3642 0.1743 0.3737 0.035 Uiso 1 1 calc R . .
C16 C -0.16540(15) 0.09839(15) 0.34955(9) 0.0292(3) Uani 1 1 d . . .
H16 H -0.1864 0.0180 0.3470 0.035 Uiso 1 1 calc R . .
C21 C 0.11431(15) 0.02494(14) 0.20704(9) 0.0278(3) Uani 1 1 d . . .
C22 C 0.23135(14) 0.05394(14) 0.15985(9) 0.0245(3) Uani 1 1 d . . .
C23 C 0.22516(18) 0.07912(17) 0.08168(10) 0.0358(4) Uani 1 1 d . . .
H23 H 0.3057 0.0955 0.0500 0.043 Uiso 1 1 calc R . .
C24 C 0.1015(2) 0.0803(2) 0.05001(12) 0.0477(5) Uani 1 1 d . . .
H24 H 0.0967 0.1009 -0.0033 0.057 Uiso 1 1 calc R . .
C25 C -0.01412(19) 0.0515(2) 0.09624(13) 0.0512(5) Uani 1 1 d . . .
H25 H -0.0984 0.0515 0.0748 0.061 Uiso 1 1 calc R . .
C26 C -0.00716(17) 0.02284(19) 0.17342(12) 0.0419(4) Uani 1 1 d . . .
H26 H -0.0867 0.0011 0.2047 0.050 Uiso 1 1 calc R . .
C31 C 0.21036(14) 0.36248(14) 0.38306(8) 0.0225(3) Uani 1 1 d . . .
H31 H 0.1483 0.4478 0.3647 0.027 Uiso 1 1 calc R . .
C32 C 0.35878(14) 0.39335(15) 0.36969(9) 0.0263(3) Uani 1 1 d . . .
H32A H 0.4253 0.3136 0.3912 0.032 Uiso 1 1 calc R . .
H32B H 0.3808 0.4234 0.3147 0.032 Uiso 1 1 calc R . .
C33 C 0.37371(16) 0.49857(16) 0.40658(10) 0.0321(3) Uani 1 1 d . . .
H33A H 0.4710 0.5144 0.3996 0.039 Uiso 1 1 calc R . .
H33B H 0.3136 0.5806 0.3816 0.039 Uiso 1 1 calc R . .
C34 C 0.33368(18) 0.45882(19) 0.49067(10) 0.0395(4) Uani 1 1 d . . .
H34A H 0.3363 0.5319 0.5120 0.047 Uiso 1 1 calc R . .
H34B H 0.4021 0.3841 0.5168 0.047 Uiso 1 1 calc R . .
C35 C 0.18888(18) 0.42151(19) 0.50489(10) 0.0389(4) Uani 1 1 d . . .
H35A H 0.1192 0.4993 0.4843 0.047 Uiso 1 1 calc R . .
H35B H 0.1690 0.3901 0.5600 0.047 Uiso 1 1 calc R . .
C36 C 0.17608(17) 0.31530(17) 0.46798(9) 0.0326(3) Uani 1 1 d . . .
H36A H 0.2409 0.2351 0.4908 0.039 Uiso 1 1 calc R . .
H36B H 0.0804 0.2950 0.4766 0.039 Uiso 1 1 calc R . .
C41 C 0.17171(14) 0.39492(13) 0.22729(7) 0.0210(3) Uani 1 1 d . . .
H41 H 0.2680 0.3903 0.2039 0.025 Uiso 1 1 calc R . .
C42 C 0.08254(18) 0.36336(14) 0.17338(8) 0.0297(3) Uani 1 1 d . . .
H42A H 0.1131 0.2721 0.1724 0.036 Uiso 1 1 calc R . .
H42B H -0.0156 0.3722 0.1923 0.036 Uiso 1 1 calc R . .
C43 C 0.0930(2) 0.45302(17) 0.09327(9) 0.0390(4) Uani 1 1 d . . .
H43A H 0.1897 0.4393 0.0727 0.047 Uiso 1 1 calc R . .
H43B H 0.0322 0.4312 0.0605 0.047 Uiso 1 1 calc R . .
C44 C 0.0501(2) 0.59519(16) 0.09237(9) 0.0387(4) Uani 1 1 d . . .
H44A H 0.0656 0.6515 0.0407 0.046 Uiso 1 1 calc R . .
H44B H -0.0502 0.6116 0.1063 0.046 Uiso 1 1 calc R . .
C45 C 0.13231(19) 0.62903(15) 0.14695(10) 0.0365(4) Uani 1 1 d . . .
H45A H 0.0968 0.7194 0.1483 0.044 Uiso 1 1 calc R . .
H45B H 0.2307 0.6247 0.1285 0.044 Uiso 1 1 calc R . .
C46 C 0.12409(16) 0.53775(14) 0.22724(8) 0.0276(3) Uani 1 1 d . . .
H46A H 0.0273 0.5488 0.2481 0.033 Uiso 1 1 calc R . .
H46B H 0.1837 0.5608 0.2600 0.033 Uiso 1 1 calc R . .
C51 C 0.46539(14) 0.19645(13) 0.14810(8) 0.0217(3) Uani 1 1 d . . .
H51 H 0.3869 0.2693 0.1310 0.026 Uiso 1 1 calc R . .
C52 C 0.55226(15) 0.24237(14) 0.19699(9) 0.0275(3) Uani 1 1 d . . .
H52A H 0.4955 0.2550 0.2422 0.033 Uiso 1 1 calc R . .
H52B H 0.6332 0.1742 0.2144 0.033 Uiso 1 1 calc R . .
C53 C 0.60318(19) 0.36899(17) 0.15406(12) 0.0422(4) Uani 1 1 d . . .
H53A H 0.5226 0.4395 0.1410 0.051 Uiso 1 1 calc R . .
H53B H 0.6623 0.3928 0.1867 0.051 Uiso 1 1 calc R . .
C54 C 0.6858(2) 0.35590(19) 0.08216(13) 0.0503(5) Uani 1 1 d . . .
H54A H 0.7116 0.4410 0.0535 0.060 Uiso 1 1 calc R . .
H54B H 0.7724 0.2931 0.0955 0.060 Uiso 1 1 calc R . .
C55 C 0.6020(2) 0.30995(19) 0.03318(11) 0.0484(5) Uani 1 1 d . . .
H55A H 0.6601 0.2973 -0.0116 0.058 Uiso 1 1 calc R . .
H55B H 0.5210 0.3777 0.0152 0.058 Uiso 1 1 calc R . .
C56 C 0.55113(18) 0.18262(16) 0.07600(9) 0.0327(3) Uani 1 1 d . . .
H56A H 0.6319 0.1125 0.0897 0.039 Uiso 1 1 calc R . .
H56B H 0.4934 0.1582 0.0429 0.039 Uiso 1 1 calc R . .
C61 C 0.49988(14) -0.08658(13) 0.18924(9) 0.0239(3) Uani 1 1 d . . .
H61 H 0.5094 -0.0689 0.1330 0.029 Uiso 1 1 calc R . .
C62 C 0.64673(15) -0.10747(14) 0.21757(10) 0.0301(3) Uani 1 1 d . . .
H62A H 0.6889 -0.0284 0.1942 0.036 Uiso 1 1 calc R . .
H62B H 0.6412 -0.1217 0.2730 0.036 Uiso 1 1 calc R . .
C63 C 0.73914(17) -0.22412(16) 0.19849(12) 0.0411(4) Uani 1 1 d . . .
H63A H 0.7518 -0.2068 0.1429 0.049 Uiso 1 1 calc R . .
H63B H 0.8316 -0.2372 0.2195 0.049 Uiso 1 1 calc R . .
C64 C 0.67398(19) -0.34678(16) 0.23119(14) 0.0476(5) Uani 1 1 d . . .
H64A H 0.7332 -0.4205 0.2167 0.057 Uiso 1 1 calc R . .
H64B H 0.6683 -0.3680 0.2870 0.057 Uiso 1 1 calc R . .
C65 C 0.52947(18) -0.32761(16) 0.20219(13) 0.0423(4) Uani 1 1 d . . .
H65A H 0.4878 -0.4070 0.2257 0.051 Uiso 1 1 calc R . .
H65B H 0.5365 -0.3145 0.1468 0.051 Uiso 1 1 calc R . .
C66 C 0.43478(16) -0.21079(14) 0.21987(10) 0.0318(3) Uani 1 1 d . . .
H66A H 0.4180 -0.2284 0.2752 0.038 Uiso 1 1 calc R . .
H66B H 0.3441 -0.1978 0.1969 0.038 Uiso 1 1 calc R . .


_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
Ru C3 2.1731(15) . ?
Ru C2 2.2018(16) . ?
Ru C4 2.2072(15) . ?
Ru Si 2.2727(4) . ?
Ru P2 2.3151(4) . ?
Ru P1 2.3366(3) . ?
P1 C12 1.8358(14) . ?
P1 C31 1.8633(14) . ?
P1 C41 1.8949(14) . ?
P2 C22 1.8394(14) . ?
P2 C61 1.8658(14) . ?
P2 C51 1.8715(14) . ?
Si C1 1.8922(17) . ?
Si C21 1.9031(17) . ?
Si C11 1.9034(14) . ?
C2 C3 1.406(3) . ?
C3 C4 1.411(3) . ?
C11 C12 1.401(2) . ?
C11 C16 1.401(2) . ?
C12 C13 1.3991(19) . ?
C13 C14 1.387(2) . ?
C14 C15 1.385(2) . ?
C15 C16 1.388(2) . ?
C21 C26 1.401(2) . ?
C21 C22 1.401(2) . ?
C22 C23 1.397(2) . ?
C23 C24 1.392(2) . ?
C24 C25 1.381(3) . ?
C25 C26 1.376(3) . ?
C31 C36 1.531(2) . ?
C31 C32 1.5341(19) . ?
C32 C33 1.528(2) . ?
C33 C34 1.523(2) . ?
C34 C35 1.526(2) . ?
C35 C36 1.532(2) . ?
C41 C42 1.533(2) . ?
C41 C46 1.5407(19) . ?
C42 C43 1.527(2) . ?
C43 C44 1.525(2) . ?
C44 C45 1.511(3) . ?
C45 C46 1.534(2) . ?
C51 C52 1.535(2) . ?
C51 C56 1.540(2) . ?
C52 C53 1.524(2) . ?
C53 C54 1.521(3) . ?
C54 C55 1.516(3) . ?
C55 C56 1.530(2) . ?
C61 C62 1.534(2) . ?
C61 C66 1.5363(19) . ?
C62 C63 1.530(2) . ?
C63 C64 1.526(2) . ?
C64 C65 1.519(3) . ?
C65 C66 1.531(2) . ?

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
C3 Ru C2 37.48(7) . . ?
C3 Ru C4 37.56(7) . . ?
C2 Ru C4 67.00(6) . . ?
C3 Ru Si 92.56(6) . . ?
C2 Ru Si 102.75(5) . . ?
C4 Ru Si 111.14(6) . . ?
C3 Ru P2 129.19(5) . . ?
C2 Ru P2 164.42(5) . . ?
C4 Ru P2 97.48(5) . . ?
Si Ru P2 83.690(14) . . ?
C3 Ru P1 125.28(5) . . ?
C2 Ru P1 90.62(5) . . ?
C4 Ru P1 155.70(5) . . ?
Si Ru P1 82.029(13) . . ?
P2 Ru P1 104.411(12) . . ?
C12 P1 C31 103.89(6) . . ?
C12 P1 C41 102.21(6) . . ?
C31 P1 C41 98.82(6) . . ?
C12 P1 Ru 110.31(5) . . ?
C31 P1 Ru 117.98(5) . . ?
C41 P1 Ru 121.22(4) . . ?
C22 P2 C61 98.59(6) . . ?
C22 P2 C51 105.50(7) . . ?
C61 P2 C51 102.59(6) . . ?
C22 P2 Ru 111.58(5) . . ?
C61 P2 Ru 120.70(5) . . ?
C51 P2 Ru 115.63(4) . . ?
C1 Si C21 104.89(9) . . ?
C1 Si C11 105.45(8) . . ?
C21 Si C11 105.18(6) . . ?
C1 Si Ru 121.45(7) . . ?
C21 Si Ru 109.45(5) . . ?
C11 Si Ru 109.23(5) . . ?
C3 C2 Ru 70.15(9) . . ?
C2 C3 C4 119.55(18) . . ?
C2 C3 Ru 72.37(9) . . ?
C4 C3 Ru 72.53(9) . . ?
C3 C4 Ru 69.91(9) . . ?
C12 C11 C16 118.32(13) . . ?
C12 C11 Si 116.57(10) . . ?
C16 C11 Si 125.10(11) . . ?
C13 C12 C11 120.57(13) . . ?
C13 C12 P1 124.48(11) . . ?
C11 C12 P1 114.89(10) . . ?
C14 C13 C12 119.85(14) . . ?
C15 C14 C13 120.26(14) . . ?
C14 C15 C16 119.93(14) . . ?
C15 C16 C11 121.07(14) . . ?
C26 C21 C22 118.08(16) . . ?
C26 C21 Si 123.80(13) . . ?
C22 C21 Si 117.94(11) . . ?
C23 C22 C21 120.10(14) . . ?
C23 C22 P2 125.29(12) . . ?
C21 C22 P2 114.61(11) . . ?
C24 C23 C22 120.28(17) . . ?
C25 C24 C23 119.85(18) . . ?
C26 C25 C24 119.96(16) . . ?
C25 C26 C21 121.67(17) . . ?
C36 C31 C32 109.79(12) . . ?
C36 C31 P1 119.44(11) . . ?
C32 C31 P1 109.79(9) . . ?
C33 C32 C31 110.35(12) . . ?
C34 C33 C32 111.24(14) . . ?
C33 C34 C35 111.46(13) . . ?
C34 C35 C36 111.48(14) . . ?
C31 C36 C35 109.35(14) . . ?
C42 C41 C46 108.51(11) . . ?
C42 C41 P1 110.29(10) . . ?
C46 C41 P1 119.22(10) . . ?
C43 C42 C41 111.83(13) . . ?
C44 C43 C42 111.05(14) . . ?
C45 C44 C43 110.96(14) . . ?
C44 C45 C46 112.61(14) . . ?
C45 C46 C41 110.91(12) . . ?
C52 C51 C56 109.33(12) . . ?
C52 C51 P2 108.86(10) . . ?
C56 C51 P2 119.93(10) . . ?
C53 C52 C51 112.10(14) . . ?
C54 C53 C52 111.07(14) . . ?
C55 C54 C53 110.95(15) . . ?
C54 C55 C56 112.00(16) . . ?
C55 C56 C51 110.87(14) . . ?
C62 C61 C66 110.86(12) . . ?
C62 C61 P2 113.21(10) . . ?
C66 C61 P2 111.56(10) . . ?
C63 C62 C61 111.64(13) . . ?
C64 C63 C62 110.54(14) . . ?
C65 C64 C63 110.64(15) . . ?
C64 C65 C66 111.91(15) . . ?
C65 C66 C61 111.21(13) . . ?

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
C3 Ru P1 C12 -64.38(8) . . . . ?
C2 Ru P1 C12 -79.68(7) . . . . ?
C4 Ru P1 C12 -101.96(14) . . . . ?
Si Ru P1 C12 23.11(5) . . . . ?
P2 Ru P1 C12 104.45(5) . . . . ?
C3 Ru P1 C31 54.73(9) . . . . ?
C2 Ru P1 C31 39.43(7) . . . . ?
C4 Ru P1 C31 17.15(14) . . . . ?
Si Ru P1 C31 142.22(5) . . . . ?
P2 Ru P1 C31 -136.44(5) . . . . ?
C3 Ru P1 C41 176.41(8) . . . . ?
C2 Ru P1 C41 161.11(7) . . . . ?
C4 Ru P1 C41 138.83(14) . . . . ?
Si Ru P1 C41 -96.10(5) . . . . ?
P2 Ru P1 C41 -14.76(5) . . . . ?
C3 Ru P2 C22 103.19(9) . . . . ?
C2 Ru P2 C22 130.5(2) . . . . ?
C4 Ru P2 C22 125.60(7) . . . . ?
Si Ru P2 C22 15.03(5) . . . . ?
P1 Ru P2 C22 -65.04(5) . . . . ?
C3 Ru P2 C61 -11.76(9) . . . . ?
C2 Ru P2 C61 15.6(2) . . . . ?
C4 Ru P2 C61 10.65(8) . . . . ?
Si Ru P2 C61 -99.92(5) . . . . ?
P1 Ru P2 C61 -179.99(5) . . . . ?
C3 Ru P2 C51 -136.24(9) . . . . ?
C2 Ru P2 C51 -108.9(2) . . . . ?
C4 Ru P2 C51 -113.83(7) . . . . ?
Si Ru P2 C51 135.60(5) . . . . ?
P1 Ru P2 C51 55.53(5) . . . . ?
C3 Ru Si C1 -19.52(10) . . . . ?
C2 Ru Si C1 -55.97(10) . . . . ?
C4 Ru Si C1 14.03(10) . . . . ?
P2 Ru Si C1 109.64(9) . . . . ?
P1 Ru Si C1 -144.80(9) . . . . ?
C3 Ru Si C21 -141.89(7) . . . . ?
C2 Ru Si C21 -178.34(7) . . . . ?
C4 Ru Si C21 -108.34(7) . . . . ?
P2 Ru Si C21 -12.74(5) . . . . ?
P1 Ru Si C21 92.83(5) . . . . ?
C3 Ru Si C11 103.45(7) . . . . ?
C2 Ru Si C11 67.00(7) . . . . ?
C4 Ru Si C11 137.00(7) . . . . ?
P2 Ru Si C11 -127.39(5) . . . . ?
P1 Ru Si C11 -21.83(5) . . . . ?
C4 Ru C2 C3 -30.49(12) . . . . ?
Si Ru C2 C3 77.30(11) . . . . ?
P2 Ru C2 C3 -35.8(3) . . . . ?
P1 Ru C2 C3 159.26(11) . . . . ?
Ru C2 C3 C4 57.16(14) . . . . ?
C4 Ru C3 C2 129.98(18) . . . . ?
Si Ru C3 C2 -107.75(11) . . . . ?
P2 Ru C3 C2 168.31(9) . . . . ?
P1 Ru C3 C2 -25.70(14) . . . . ?
C2 Ru C3 C4 -129.98(18) . . . . ?
Si Ru C3 C4 122.27(11) . . . . ?
P2 Ru C3 C4 38.32(14) . . . . ?
P1 Ru C3 C4 -155.69(10) . . . . ?
C2 C3 C4 Ru -57.08(14) . . . . ?
C2 Ru C4 C3 30.43(12) . . . . ?
Si Ru C4 C3 -64.91(12) . . . . ?
P2 Ru C4 C3 -151.01(11) . . . . ?
P1 Ru C4 C3 54.7(2) . . . . ?
C1 Si C11 C12 150.00(13) . . . . ?
C21 Si C11 C12 -99.44(11) . . . . ?
Ru Si C11 C12 17.95(12) . . . . ?
C1 Si C11 C16 -31.31(16) . . . . ?
C21 Si C11 C16 79.25(14) . . . . ?
Ru Si C11 C16 -163.36(12) . . . . ?
C16 C11 C12 C13 -0.2(2) . . . . ?
Si C11 C12 C13 178.56(11) . . . . ?
C16 C11 C12 P1 -177.63(11) . . . . ?
Si C11 C12 P1 1.16(14) . . . . ?
C31 P1 C12 C13 35.96(14) . . . . ?
C41 P1 C12 C13 -66.47(13) . . . . ?
Ru P1 C12 C13 163.32(11) . . . . ?
C31 P1 C12 C11 -146.75(11) . . . . ?
C41 P1 C12 C11 110.82(11) . . . . ?
Ru P1 C12 C11 -19.39(11) . . . . ?
C11 C12 C13 C14 -0.1(2) . . . . ?
P1 C12 C13 C14 177.05(11) . . . . ?
C12 C13 C14 C15 0.3(2) . . . . ?
C13 C14 C15 C16 -0.1(2) . . . . ?
C14 C15 C16 C11 -0.2(2) . . . . ?
C12 C11 C16 C15 0.4(2) . . . . ?
Si C11 C16 C15 -178.30(12) . . . . ?
C1 Si C21 C26 61.75(15) . . . . ?
C11 Si C21 C26 -49.22(15) . . . . ?
Ru Si C21 C26 -166.46(13) . . . . ?
C1 Si C21 C22 -123.30(12) . . . . ?
C11 Si C21 C22 125.73(12) . . . . ?
Ru Si C21 C22 8.50(12) . . . . ?
C26 C21 C22 C23 -0.3(2) . . . . ?
Si C21 C22 C23 -175.55(12) . . . . ?
C26 C21 C22 P2 179.02(12) . . . . ?
Si C21 C22 P2 3.78(15) . . . . ?
C61 P2 C22 C23 -67.17(14) . . . . ?
C51 P2 C22 C23 38.54(15) . . . . ?
Ru P2 C22 C23 164.87(12) . . . . ?
C61 P2 C22 C21 113.54(11) . . . . ?
C51 P2 C22 C21 -140.75(11) . . . . ?
Ru P2 C22 C21 -14.42(12) . . . . ?
C21 C22 C23 C24 2.4(2) . . . . ?
P2 C22 C23 C24 -176.88(14) . . . . ?
C22 C23 C24 C25 -2.5(3) . . . . ?
C23 C24 C25 C26 0.6(3) . . . . ?
C24 C25 C26 C21 1.5(3) . . . . ?
C22 C21 C26 C25 -1.7(2) . . . . ?
Si C21 C26 C25 173.29(14) . . . . ?
C12 P1 C31 C36 53.70(13) . . . . ?
C41 P1 C31 C36 158.70(12) . . . . ?
Ru P1 C31 C36 -68.73(12) . . . . ?
C12 P1 C31 C32 -178.26(10) . . . . ?
C41 P1 C31 C32 -73.25(11) . . . . ?
Ru P1 C31 C32 59.32(11) . . . . ?
C36 C31 C32 C33 -59.50(16) . . . . ?
P1 C31 C32 C33 167.29(11) . . . . ?
C31 C32 C33 C34 56.38(17) . . . . ?
C32 C33 C34 C35 -53.97(19) . . . . ?
C33 C34 C35 C36 54.9(2) . . . . ?
C32 C31 C36 C35 59.68(17) . . . . ?
P1 C31 C36 C35 -172.27(11) . . . . ?
C34 C35 C36 C31 -57.60(19) . . . . ?
C12 P1 C41 C42 -46.27(11) . . . . ?
C31 P1 C41 C42 -152.66(10) . . . . ?
Ru P1 C41 C42 76.85(10) . . . . ?
C12 P1 C41 C46 80.22(12) . . . . ?
C31 P1 C41 C46 -26.17(12) . . . . ?
Ru P1 C41 C46 -156.66(9) . . . . ?
C46 C41 C42 C43 58.15(16) . . . . ?
P1 C41 C42 C43 -169.57(11) . . . . ?
C41 C42 C43 C44 -57.59(19) . . . . ?
C42 C43 C44 C45 54.2(2) . . . . ?
C43 C44 C45 C46 -54.0(2) . . . . ?
C44 C45 C46 C41 55.97(18) . . . . ?
C42 C41 C46 C45 -56.53(17) . . . . ?
P1 C41 C46 C45 176.15(11) . . . . ?
C22 P2 C51 C52 156.58(9) . . . . ?
C61 P2 C51 C52 -100.66(10) . . . . ?
Ru P2 C51 C52 32.77(11) . . . . ?
C22 P2 C51 C56 -76.53(13) . . . . ?
C61 P2 C51 C56 26.23(13) . . . . ?
Ru P2 C51 C56 159.66(10) . . . . ?
C56 C51 C52 C53 56.33(16) . . . . ?
P2 C51 C52 C53 -170.94(11) . . . . ?
C51 C52 C53 C54 -56.4(2) . . . . ?
C52 C53 C54 C55 55.0(2) . . . . ?
C53 C54 C55 C56 -55.6(2) . . . . ?
C54 C55 C56 C51 56.5(2) . . . . ?
C52 C51 C56 C55 -55.72(18) . . . . ?
P2 C51 C56 C55 177.61(13) . . . . ?
C22 P2 C61 C62 175.08(11) . . . . ?
C51 P2 C61 C62 66.97(12) . . . . ?
Ru P2 C61 C62 -63.43(12) . . . . ?
C22 P2 C61 C66 -59.03(12) . . . . ?
C51 P2 C61 C66 -167.14(11) . . . . ?
Ru P2 C61 C66 62.46(12) . . . . ?
C66 C61 C62 C63 54.94(18) . . . . ?
P2 C61 C62 C63 -178.80(12) . . . . ?
C61 C62 C63 C64 -56.8(2) . . . . ?
C62 C63 C64 C65 57.1(2) . . . . ?
C63 C64 C65 C66 -56.7(2) . . . . ?
C64 C65 C66 C61 55.0(2) . . . . ?
C62 C61 C66 C65 -53.53(19) . . . . ?
P2 C61 C66 C65 179.29(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        26.40
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.060
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dal1149
_database_code_depnum_ccdc_archive 'CCDC 1029418'
_audit_update_record             
;
2014-10-15 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H64 N3 P3 Ru Si'
_chemical_formula_sum            'C40 H64 N3 P3 Ru Si'
_chemical_formula_weight         809.01

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   10.3984(4)
_cell_length_b                   10.5102(4)
_cell_length_c                   19.0001(8)
_cell_angle_alpha                95.6660(5)
_cell_angle_beta                 92.3748(5)
_cell_angle_gamma                102.1706(5)
_cell_volume                     2015.78(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8336
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      26.63

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             856
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7878
_exptl_absorpt_correction_T_max  0.9787
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17901
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.99
_diffrn_reflns_theta_max         27.54
_reflns_number_total             9205
_reflns_number_gt                8209
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'DIRDIF-2008 (Beurskens et al., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0298P)²+0.8535P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9205
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0650
_refine_ls_wR_factor_gt          0.0624
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_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
Ru Ru 0.329374(12) 0.332735(12) 0.180555(7) 0.01760(4) Uani 1 1 d . . .
P1 P 0.39181(4) 0.40940(4) 0.29869(2) 0.01946(9) Uani 1 1 d . . .
P2 P 0.14019(4) 0.19283(4) 0.19907(2) 0.01916(9) Uani 1 1 d . . .
P3 P 0.34357(4) 0.27423(4) 0.05804(2) 0.02108(9) Uani 1 1 d . . .
Si Si 0.40609(5) 0.15099(4) 0.20603(2) 0.02141(10) Uani 1 1 d . . .
N1 N 0.40874(17) 0.52232(15) 0.14903(8) 0.0325(4) Uani 1 1 d . . .
N2 N 0.48776(16) 0.61706(15) 0.15779(8) 0.0308(3) Uani 1 1 d . . .
N3 N 0.56592(19) 0.71640(18) 0.16437(11) 0.0492(5) Uani 1 1 d . . .
C1 C 0.56239(19) 0.11030(19) 0.17110(11) 0.0327(4) Uani 1 1 d . . .
H1A H 0.5534 0.0963 0.1192 0.039 Uiso 1 1 calc R . .
H1B H 0.5774 0.0306 0.1897 0.039 Uiso 1 1 calc R . .
H1C H 0.6373 0.1830 0.1863 0.039 Uiso 1 1 calc R . .
C2 C 0.51662(18) 0.3221(2) 0.03868(11) 0.0328(4) Uani 1 1 d . . .
H2A H 0.5550 0.4090 0.0635 0.039 Uiso 1 1 calc R . .
H2B H 0.5230 0.3249 -0.0125 0.039 Uiso 1 1 calc R . .
H2C H 0.5647 0.2583 0.0546 0.039 Uiso 1 1 calc R . .
C3 C 0.30327(19) 0.10823(17) 0.01311(10) 0.0296(4) Uani 1 1 d . . .
H3A H 0.2102 0.0694 0.0180 0.036 Uiso 1 1 calc R . .
H3B H 0.3585 0.0554 0.0344 0.036 Uiso 1 1 calc R . .
H3C H 0.3194 0.1105 -0.0373 0.036 Uiso 1 1 calc R . .
C4 C 0.27072(19) 0.36376(19) -0.00491(10) 0.0304(4) Uani 1 1 d . . .
H4A H 0.2836 0.4559 0.0144 0.036 Uiso 1 1 calc R . .
H4B H 0.1762 0.3256 -0.0131 0.036 Uiso 1 1 calc R . .
H4C H 0.3133 0.3579 -0.0498 0.036 Uiso 1 1 calc R . .
C11 C 0.43667(18) 0.16292(17) 0.30646(9) 0.0260(4) Uani 1 1 d . . .
C12 C 0.42174(17) 0.27604(17) 0.34883(9) 0.0245(3) Uani 1 1 d . . .
C13 C 0.4415(2) 0.28465(19) 0.42257(10) 0.0324(4) Uani 1 1 d . . .
H13 H 0.4323 0.3614 0.4510 0.039 Uiso 1 1 calc R . .
C14 C 0.4744(3) 0.1816(2) 0.45425(11) 0.0448(5) Uani 1 1 d . . .
H14 H 0.4857 0.1870 0.5044 0.054 Uiso 1 1 calc R . .
C15 C 0.4910(3) 0.0709(2) 0.41298(12) 0.0501(6) Uani 1 1 d . . .
H15 H 0.5150 0.0010 0.4348 0.060 Uiso 1 1 calc R . .
C16 C 0.4728(2) 0.06195(19) 0.34008(11) 0.0381(5) Uani 1 1 d . . .
H16 H 0.4850 -0.0143 0.3122 0.046 Uiso 1 1 calc R . .
C21 C 0.27069(18) -0.00312(16) 0.18119(9) 0.0233(3) Uani 1 1 d . . .
C22 C 0.14335(17) 0.02042(16) 0.17610(9) 0.0222(3) Uani 1 1 d . . .
C23 C 0.03271(19) -0.08282(17) 0.16317(9) 0.0281(4) Uani 1 1 d . . .
H23 H -0.0533 -0.0655 0.1605 0.034 Uiso 1 1 calc R . .
C24 C 0.0498(2) -0.21069(18) 0.15430(10) 0.0344(4) Uani 1 1 d . . .
H24 H -0.0248 -0.2812 0.1456 0.041 Uiso 1 1 calc R . .
C25 C 0.1751(2) -0.23599(18) 0.15799(10) 0.0355(5) Uani 1 1 d . . .
H25 H 0.1860 -0.3238 0.1515 0.043 Uiso 1 1 calc R . .
C26 C 0.2849(2) -0.13359(17) 0.17119(10) 0.0300(4) Uani 1 1 d . . .
H26 H 0.3705 -0.1520 0.1735 0.036 Uiso 1 1 calc R . .
C31 C 0.55465(16) 0.52595(16) 0.31027(9) 0.0231(3) Uani 1 1 d . . .
H31 H 0.5428 0.6043 0.2870 0.028 Uiso 1 1 calc R . .
C32 C 0.66209(18) 0.47372(19) 0.27134(11) 0.0327(4) Uani 1 1 d . . .
H32A H 0.6301 0.4417 0.2216 0.039 Uiso 1 1 calc R . .
H32B H 0.6829 0.3993 0.2943 0.039 Uiso 1 1 calc R . .
C33 C 0.78690(19) 0.5827(2) 0.27276(12) 0.0430(5) Uani 1 1 d . . .
H33A H 0.8574 0.5460 0.2503 0.052 Uiso 1 1 calc R . .
H33B H 0.7680 0.6518 0.2446 0.052 Uiso 1 1 calc R . .
C34 C 0.8354(2) 0.6433(3) 0.34777(13) 0.0501(6) Uani 1 1 d . . .
H34A H 0.9099 0.7188 0.3457 0.060 Uiso 1 1 calc R . .
H34B H 0.8681 0.5780 0.3736 0.060 Uiso 1 1 calc R . .
C35 C 0.72654(19) 0.6893(2) 0.38806(12) 0.0417(5) Uani 1 1 d . . .
H35A H 0.7018 0.7630 0.3660 0.050 Uiso 1 1 calc R . .
H35B H 0.7593 0.7211 0.4377 0.050 Uiso 1 1 calc R . .
C36 C 0.60550(18) 0.57748(19) 0.38709(10) 0.0314(4) Uani 1 1 d . . .
H36A H 0.5353 0.6091 0.4128 0.038 Uiso 1 1 calc R . .
H36B H 0.6289 0.5057 0.4115 0.038 Uiso 1 1 calc R . .
C41 C 0.27835(16) 0.50520(16) 0.34358(9) 0.0217(3) Uani 1 1 d . . .
H41 H 0.1894 0.4657 0.3197 0.026 Uiso 1 1 calc R . .
C42 C 0.30893(17) 0.64682(17) 0.32420(10) 0.0265(4) Uani 1 1 d . . .
H42A H 0.3933 0.6951 0.3490 0.032 Uiso 1 1 calc R . .
H42B H 0.3185 0.6461 0.2726 0.032 Uiso 1 1 calc R . .
C43 C 0.19884(19) 0.71622(19) 0.34517(11) 0.0334(4) Uani 1 1 d . . .
H43A H 0.2223 0.8082 0.3343 0.040 Uiso 1 1 calc R . .
H43B H 0.1163 0.6727 0.3170 0.040 Uiso 1 1 calc R . .
C44 C 0.1765(2) 0.7138(2) 0.42380(11) 0.0361(4) Uani 1 1 d . . .
H44A H 0.1008 0.7539 0.4352 0.043 Uiso 1 1 calc R . .
H44B H 0.2555 0.7664 0.4520 0.043 Uiso 1 1 calc R . .
C45 C 0.14932(19) 0.5741(2) 0.44407(10) 0.0349(4) Uani 1 1 d . . .
H45A H 0.0640 0.5250 0.4207 0.042 Uiso 1 1 calc R . .
H45B H 0.1419 0.5765 0.4959 0.042 Uiso 1 1 calc R . .
C46 C 0.25768(18) 0.50271(18) 0.42272(9) 0.0276(4) Uani 1 1 d . . .
H46A H 0.2331 0.4108 0.4335 0.033 Uiso 1 1 calc R . .
H46B H 0.3410 0.5452 0.4505 0.033 Uiso 1 1 calc R . .
C51 C 0.07690(18) 0.18659(17) 0.29210(9) 0.0257(4) Uani 1 1 d . . .
H51 H 0.1347 0.2622 0.3222 0.031 Uiso 1 1 calc R . .
C52 C 0.0938(2) 0.0641(2) 0.32592(11) 0.0397(5) Uani 1 1 d . . .
H52A H 0.0371 -0.0144 0.2987 0.048 Uiso 1 1 calc R . .
H52B H 0.1865 0.0552 0.3237 0.048 Uiso 1 1 calc R . .
C53 C 0.0573(3) 0.0710(2) 0.40336(12) 0.0540(7) Uani 1 1 d . . .
H53A H 0.0667 -0.0105 0.4231 0.065 Uiso 1 1 calc R . .
H53B H 0.1186 0.1453 0.4314 0.065 Uiso 1 1 calc R . .
C54 C -0.0831(3) 0.0886(2) 0.40944(12) 0.0551(7) Uani 1 1 d . . .
H54A H -0.1452 0.0112 0.3845 0.066 Uiso 1 1 calc R . .
H54B H -0.1034 0.0959 0.4599 0.066 Uiso 1 1 calc R . .
C55 C -0.1004(3) 0.2102(3) 0.37751(13) 0.0534(6) Uani 1 1 d . . .
H55A H -0.0436 0.2881 0.4052 0.064 Uiso 1 1 calc R . .
H55B H -0.1931 0.2187 0.3801 0.064 Uiso 1 1 calc R . .
C56 C -0.0642(2) 0.2051(2) 0.29986(11) 0.0430(5) Uani 1 1 d . . .
H56A H -0.1264 0.1319 0.2715 0.052 Uiso 1 1 calc R . .
H56B H -0.0734 0.2875 0.2810 0.052 Uiso 1 1 calc R . .
C61 C -0.00184(16) 0.22612(16) 0.14586(9) 0.0218(3) Uani 1 1 d . . .
H61 H -0.0839 0.1904 0.1694 0.026 Uiso 1 1 calc R . .
C62 C 0.01141(17) 0.37499(16) 0.14814(10) 0.0265(4) Uani 1 1 d . . .
H62A H 0.0166 0.4138 0.1981 0.032 Uiso 1 1 calc R . .
H62B H 0.0941 0.4137 0.1270 0.032 Uiso 1 1 calc R . .
C63 C -0.10561(19) 0.40835(18) 0.10780(11) 0.0313(4) Uani 1 1 d . . .
H63A H -0.1871 0.3781 0.1321 0.038 Uiso 1 1 calc R . .
H63B H -0.0915 0.5045 0.1079 0.038 Uiso 1 1 calc R . .
C64 C -0.12229(19) 0.34416(18) 0.03177(10) 0.0303(4) Uani 1 1 d . . .
H64A H -0.2017 0.3628 0.0079 0.036 Uiso 1 1 calc R . .
H64B H -0.0449 0.3815 0.0059 0.036 Uiso 1 1 calc R . .
C65 C -0.13596(17) 0.19741(17) 0.02954(10) 0.0260(4) Uani 1 1 d . . .
H65A H -0.1423 0.1585 -0.0204 0.031 Uiso 1 1 calc R . .
H65B H -0.2183 0.1592 0.0512 0.031 Uiso 1 1 calc R . .
C66 C -0.01867(16) 0.16285(16) 0.06918(9) 0.0235(3) Uani 1 1 d . . .
H66A H -0.0329 0.0666 0.0685 0.028 Uiso 1 1 calc R . .
H66B H 0.0627 0.1935 0.0449 0.028 Uiso 1 1 calc R . .


_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
Ru N1 2.1433(16) . ?
Ru P2 2.2574(4) . ?
Ru Si 2.3049(5) . ?
Ru P1 2.3261(4) . ?
Ru P3 2.3670(5) . ?
P1 C12 1.8418(17) . ?
P1 C31 1.8594(17) . ?
P1 C41 1.8836(17) . ?
P2 C22 1.8290(17) . ?
P2 C61 1.8681(17) . ?
P2 C51 1.9137(17) . ?
P3 C3 1.8211(18) . ?
P3 C2 1.8266(18) . ?
P3 C4 1.8269(18) . ?
Si C1 1.8951(19) . ?
Si C11 1.9089(18) . ?
Si C21 1.9134(18) . ?
N1 N2 1.142(2) . ?
N2 N3 1.172(2) . ?
C11 C16 1.399(3) . ?
C11 C12 1.409(2) . ?
C12 C13 1.399(2) . ?
C13 C14 1.386(3) . ?
C14 C15 1.384(3) . ?
C15 C16 1.381(3) . ?
C21 C22 1.399(2) . ?
C21 C26 1.405(2) . ?
C22 C23 1.400(2) . ?
C23 C24 1.387(3) . ?
C24 C25 1.383(3) . ?
C25 C26 1.389(3) . ?
C31 C32 1.531(2) . ?
C31 C36 1.537(2) . ?
C32 C33 1.537(3) . ?
C33 C34 1.522(3) . ?
C34 C35 1.526(3) . ?
C35 C36 1.528(3) . ?
C41 C46 1.530(2) . ?
C41 C42 1.540(2) . ?
C42 C43 1.528(2) . ?
C43 C44 1.523(3) . ?
C44 C45 1.526(3) . ?
C45 C46 1.527(3) . ?
C51 C56 1.532(3) . ?
C51 C52 1.534(3) . ?
C52 C53 1.533(3) . ?
C53 C54 1.518(4) . ?
C54 C55 1.508(4) . ?
C55 C56 1.536(3) . ?
C61 C66 1.528(2) . ?
C61 C62 1.538(2) . ?
C62 C63 1.532(2) . ?
C63 C64 1.520(3) . ?
C64 C65 1.515(2) . ?
C65 C66 1.533(2) . ?

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 Ru P2 143.70(5) . . ?
N1 Ru Si 137.56(5) . . ?
P2 Ru Si 78.590(16) . . ?
N1 Ru P1 90.81(4) . . ?
P2 Ru P1 97.281(16) . . ?
Si Ru P1 84.768(16) . . ?
N1 Ru P3 80.46(4) . . ?
P2 Ru P3 99.947(15) . . ?
Si Ru P3 90.075(16) . . ?
P1 Ru P3 160.663(16) . . ?
C12 P1 C31 102.05(8) . . ?
C12 P1 C41 112.40(8) . . ?
C31 P1 C41 103.30(7) . . ?
C12 P1 Ru 110.93(6) . . ?
C31 P1 Ru 112.75(6) . . ?
C41 P1 Ru 114.51(5) . . ?
C22 P2 C61 107.00(8) . . ?
C22 P2 C51 100.31(7) . . ?
C61 P2 C51 102.88(8) . . ?
C22 P2 Ru 113.83(6) . . ?
C61 P2 Ru 110.87(5) . . ?
C51 P2 Ru 120.53(6) . . ?
C3 P3 C2 99.97(9) . . ?
C3 P3 C4 101.67(9) . . ?
C2 P3 C4 99.57(9) . . ?
C3 P3 Ru 125.61(6) . . ?
C2 P3 Ru 107.49(7) . . ?
C4 P3 Ru 118.21(7) . . ?
C1 Si C11 103.56(8) . . ?
C1 Si C21 105.80(8) . . ?
C11 Si C21 105.52(8) . . ?
C1 Si Ru 123.38(6) . . ?
C11 Si Ru 107.59(6) . . ?
C21 Si Ru 109.61(5) . . ?
N2 N1 Ru 148.37(14) . . ?
N1 N2 N3 177.0(2) . . ?
C16 C11 C12 118.28(17) . . ?
C16 C11 Si 122.13(14) . . ?
C12 C11 Si 119.59(13) . . ?
C13 C12 C11 120.01(16) . . ?
C13 C12 P1 125.22(14) . . ?
C11 C12 P1 114.51(13) . . ?
C14 C13 C12 120.21(18) . . ?
C15 C14 C13 120.14(19) . . ?
C16 C15 C14 120.05(19) . . ?
C15 C16 C11 121.29(19) . . ?
C22 C21 C26 118.08(16) . . ?
C22 C21 Si 114.15(12) . . ?
C26 C21 Si 127.70(14) . . ?
C21 C22 C23 121.17(16) . . ?
C21 C22 P2 112.72(12) . . ?
C23 C22 P2 125.66(14) . . ?
C24 C23 C22 119.38(18) . . ?
C25 C24 C23 120.35(18) . . ?
C24 C25 C26 120.29(17) . . ?
C25 C26 C21 120.71(18) . . ?
C32 C31 C36 109.50(14) . . ?
C32 C31 P1 112.89(12) . . ?
C36 C31 P1 116.03(12) . . ?
C31 C32 C33 110.02(15) . . ?
C34 C33 C32 112.29(19) . . ?
C33 C34 C35 111.82(17) . . ?
C34 C35 C36 110.55(18) . . ?
C35 C36 C31 110.10(16) . . ?
C46 C41 C42 110.80(14) . . ?
C46 C41 P1 120.97(12) . . ?
C42 C41 P1 110.05(11) . . ?
C43 C42 C41 110.68(14) . . ?
C44 C43 C42 111.14(16) . . ?
C43 C44 C45 111.30(16) . . ?
C44 C45 C46 112.11(16) . . ?
C45 C46 C41 110.65(15) . . ?
C56 C51 C52 109.27(16) . . ?
C56 C51 P2 116.31(13) . . ?
C52 C51 P2 113.32(12) . . ?
C53 C52 C51 111.47(17) . . ?
C54 C53 C52 111.1(2) . . ?
C55 C54 C53 110.15(19) . . ?
C54 C55 C56 111.2(2) . . ?
C51 C56 C55 111.81(19) . . ?
C66 C61 C62 110.28(14) . . ?
C66 C61 P2 114.69(11) . . ?
C62 C61 P2 109.11(11) . . ?
C63 C62 C61 111.48(14) . . ?
C64 C63 C62 111.20(15) . . ?
C65 C64 C63 110.81(15) . . ?
C64 C65 C66 111.74(14) . . ?
C61 C66 C65 110.89(14) . . ?

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 Ru P1 C12 -152.46(8) . . . . ?
P2 Ru P1 C12 63.02(6) . . . . ?
Si Ru P1 C12 -14.74(6) . . . . ?
P3 Ru P1 C12 -89.85(8) . . . . ?
N1 Ru P1 C31 -38.71(8) . . . . ?
P2 Ru P1 C31 176.77(6) . . . . ?
Si Ru P1 C31 99.01(6) . . . . ?
P3 Ru P1 C31 23.90(8) . . . . ?
N1 Ru P1 C41 79.02(7) . . . . ?
P2 Ru P1 C41 -65.50(6) . . . . ?
Si Ru P1 C41 -143.26(6) . . . . ?
P3 Ru P1 C41 141.63(7) . . . . ?
N1 Ru P2 C22 145.50(9) . . . . ?
Si Ru P2 C22 -29.94(6) . . . . ?
P1 Ru P2 C22 -113.08(6) . . . . ?
P3 Ru P2 C22 58.10(6) . . . . ?
N1 Ru P2 C61 24.80(10) . . . . ?
Si Ru P2 C61 -150.65(6) . . . . ?
P1 Ru P2 C61 126.22(6) . . . . ?
P3 Ru P2 C61 -62.60(6) . . . . ?
N1 Ru P2 C51 -95.32(10) . . . . ?
Si Ru P2 C51 89.24(7) . . . . ?
P1 Ru P2 C51 6.10(7) . . . . ?
P3 Ru P2 C51 177.28(7) . . . . ?
N1 Ru P3 C3 176.88(9) . . . . ?
P2 Ru P3 C3 -39.97(8) . . . . ?
Si Ru P3 C3 38.46(8) . . . . ?
P1 Ru P3 C3 112.69(9) . . . . ?
N1 Ru P3 C2 60.21(8) . . . . ?
P2 Ru P3 C2 -156.65(7) . . . . ?
Si Ru P3 C2 -78.22(7) . . . . ?
P1 Ru P3 C2 -3.98(9) . . . . ?
N1 Ru P3 C4 -51.31(8) . . . . ?
P2 Ru P3 C4 91.84(7) . . . . ?
Si Ru P3 C4 170.26(7) . . . . ?
P1 Ru P3 C4 -115.50(8) . . . . ?
N1 Ru Si C1 -23.70(10) . . . . ?
P2 Ru Si C1 152.31(8) . . . . ?
P1 Ru Si C1 -109.16(8) . . . . ?
P3 Ru Si C1 52.17(8) . . . . ?
N1 Ru Si C11 96.53(9) . . . . ?
P2 Ru Si C11 -87.47(6) . . . . ?
P1 Ru Si C11 11.06(6) . . . . ?
P3 Ru Si C11 172.40(6) . . . . ?
N1 Ru Si C21 -149.21(8) . . . . ?
P2 Ru Si C21 26.79(6) . . . . ?
P1 Ru Si C21 125.32(6) . . . . ?
P3 Ru Si C21 -73.34(6) . . . . ?
P2 Ru N1 N2 137.8(3) . . . . ?
Si Ru N1 N2 -48.8(3) . . . . ?
P1 Ru N1 N2 34.3(3) . . . . ?
P3 Ru N1 N2 -128.3(3) . . . . ?
Ru N1 N2 N3 -177(100) . . . . ?
C1 Si C11 C16 -53.65(18) . . . . ?
C21 Si C11 C16 57.30(18) . . . . ?
Ru Si C11 C16 174.26(15) . . . . ?
C1 Si C11 C12 126.86(15) . . . . ?
C21 Si C11 C12 -122.19(15) . . . . ?
Ru Si C11 C12 -5.22(16) . . . . ?
C16 C11 C12 C13 -0.7(3) . . . . ?
Si C11 C12 C13 178.78(14) . . . . ?
C16 C11 C12 P1 173.69(15) . . . . ?
Si C11 C12 P1 -6.80(19) . . . . ?
C31 P1 C12 C13 69.64(18) . . . . ?
C41 P1 C12 C13 -40.38(19) . . . . ?
Ru P1 C12 C13 -170.03(15) . . . . ?
C31 P1 C12 C11 -104.44(14) . . . . ?
C41 P1 C12 C11 145.54(13) . . . . ?
Ru P1 C12 C11 15.89(15) . . . . ?
C11 C12 C13 C14 -0.7(3) . . . . ?
P1 C12 C13 C14 -174.43(17) . . . . ?
C12 C13 C14 C15 1.5(4) . . . . ?
C13 C14 C15 C16 -1.0(4) . . . . ?
C14 C15 C16 C11 -0.4(4) . . . . ?
C12 C11 C16 C15 1.3(3) . . . . ?
Si C11 C16 C15 -178.22(19) . . . . ?
C1 Si C21 C22 -155.67(13) . . . . ?
C11 Si C21 C22 94.97(13) . . . . ?
Ru Si C21 C22 -20.61(14) . . . . ?
C1 Si C21 C26 27.54(18) . . . . ?
C11 Si C21 C26 -81.82(17) . . . . ?
Ru Si C21 C26 162.59(14) . . . . ?
C26 C21 C22 C23 1.6(2) . . . . ?
Si C21 C22 C23 -175.57(13) . . . . ?
C26 C21 C22 P2 174.27(13) . . . . ?
Si C21 C22 P2 -2.85(16) . . . . ?
C61 P2 C22 C21 149.52(12) . . . . ?
C51 P2 C22 C21 -103.48(13) . . . . ?
Ru P2 C22 C21 26.67(14) . . . . ?
C61 P2 C22 C23 -38.15(17) . . . . ?
C51 P2 C22 C23 68.85(16) . . . . ?
Ru P2 C22 C23 -161.00(13) . . . . ?
C21 C22 C23 C24 -0.9(3) . . . . ?
P2 C22 C23 C24 -172.61(14) . . . . ?
C22 C23 C24 C25 -0.2(3) . . . . ?
C23 C24 C25 C26 0.5(3) . . . . ?
C24 C25 C26 C21 0.2(3) . . . . ?
C22 C21 C26 C25 -1.2(3) . . . . ?
Si C21 C26 C25 175.47(14) . . . . ?
C12 P1 C31 C32 68.72(15) . . . . ?
C41 P1 C31 C32 -174.49(13) . . . . ?
Ru P1 C31 C32 -50.34(14) . . . . ?
C12 P1 C31 C36 -58.83(14) . . . . ?
C41 P1 C31 C36 57.96(14) . . . . ?
Ru P1 C31 C36 -177.88(11) . . . . ?
C36 C31 C32 C33 -58.4(2) . . . . ?
P1 C31 C32 C33 170.64(14) . . . . ?
C31 C32 C33 C34 55.0(2) . . . . ?
C32 C33 C34 C35 -53.0(3) . . . . ?
C33 C34 C35 C36 54.4(3) . . . . ?
C34 C35 C36 C31 -58.4(2) . . . . ?
C32 C31 C36 C35 60.8(2) . . . . ?
P1 C31 C36 C35 -169.94(14) . . . . ?
C12 P1 C41 C46 20.48(16) . . . . ?
C31 P1 C41 C46 -88.75(14) . . . . ?
Ru P1 C41 C46 148.25(11) . . . . ?
C12 P1 C41 C42 151.78(12) . . . . ?
C31 P1 C41 C42 42.54(13) . . . . ?
Ru P1 C41 C42 -80.45(12) . . . . ?
C46 C41 C42 C43 -56.99(19) . . . . ?
P1 C41 C42 C43 166.57(13) . . . . ?
C41 C42 C43 C44 56.5(2) . . . . ?
C42 C43 C44 C45 -55.2(2) . . . . ?
C43 C44 C45 C46 54.7(2) . . . . ?
C44 C45 C46 C41 -55.0(2) . . . . ?
C42 C41 C46 C45 55.93(19) . . . . ?
P1 C41 C46 C45 -173.09(13) . . . . ?
C22 P2 C51 C56 -108.83(15) . . . . ?
C61 P2 C51 C56 1.44(16) . . . . ?
Ru P2 C51 C56 125.44(13) . . . . ?
C22 P2 C51 C52 19.05(16) . . . . ?
C61 P2 C51 C52 129.33(14) . . . . ?
Ru P2 C51 C52 -106.68(14) . . . . ?
C56 C51 C52 C53 -55.4(2) . . . . ?
P2 C51 C52 C53 173.19(16) . . . . ?
C51 C52 C53 C54 57.4(3) . . . . ?
C52 C53 C54 C55 -57.3(3) . . . . ?
C53 C54 C55 C56 56.9(3) . . . . ?
C52 C51 C56 C55 55.1(2) . . . . ?
P2 C51 C56 C55 -175.09(15) . . . . ?
C54 C55 C56 C51 -56.9(3) . . . . ?
C22 P2 C61 C66 -41.30(14) . . . . ?
C51 P2 C61 C66 -146.48(12) . . . . ?
Ru P2 C61 C66 83.37(12) . . . . ?
C22 P2 C61 C62 -165.57(12) . . . . ?
C51 P2 C61 C62 89.25(13) . . . . ?
Ru P2 C61 C62 -40.90(13) . . . . ?
C66 C61 C62 C63 55.51(19) . . . . ?
P2 C61 C62 C63 -177.67(13) . . . . ?
C61 C62 C63 C64 -55.8(2) . . . . ?
C62 C63 C64 C65 55.7(2) . . . . ?
C63 C64 C65 C66 -56.2(2) . . . . ?
C62 C61 C66 C65 -55.44(18) . . . . ?
P2 C61 C66 C65 -179.08(11) . . . . ?
C64 C65 C66 C61 56.53(19) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.055
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dal08e5
_database_code_depnum_ccdc_archive 'CCDC 1029419'
_audit_update_record             
;
2014-10-15 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
; 

 ? 

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         ?

_chemical_formula_sum            'C40 H64 Cl P3 Ru Si'

_chemical_formula_weight         802.43



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'



_symmetry_cell_setting           Triclinic

_symmetry_space_group_name_H-M   P-1



loop_

_symmetry_equiv_pos_as_xyz


'x, y, z'
'-x, -y, -z'



_cell_length_a                   10.3409(5)

_cell_length_b                   10.5020(5)

_cell_length_c                   18.9852(9)

_cell_angle_alpha                95.6088(5)

_cell_angle_beta                 92.0827(5)

_cell_angle_gamma                101.5544(5)

_cell_volume                     2007.03(17)

_cell_formula_units_Z            2

_cell_measurement_temperature    173(2)

_cell_measurement_reflns_used    9733

_cell_measurement_theta_min      2.23

_cell_measurement_theta_max      27.63



_exptl_crystal_description       prism

_exptl_crystal_colour            orange

_exptl_crystal_size_max          0.41

_exptl_crystal_size_mid          0.39

_exptl_crystal_size_min          0.22

_exptl_crystal_density_meas      ?

_exptl_crystal_density_diffrn    1.328

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             848

_exptl_absorpt_coefficient_mu    0.634

_exptl_absorpt_correction_type   integration

_exptl_absorpt_correction_T_min  0.7803

_exptl_absorpt_correction_T_max  0.8706

_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'



_exptl_special_details           
; 

 ? 

;



_diffrn_ambient_temperature      173(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'

_diffrn_measurement_method       'ω scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            17730

_diffrn_reflns_av_R_equivalents  0.0112

_diffrn_reflns_av_sigmaI/netI    0.0170

_diffrn_reflns_limit_h_min       -13

_diffrn_reflns_limit_h_max       13

_diffrn_reflns_limit_k_min       -13

_diffrn_reflns_limit_k_max       13

_diffrn_reflns_limit_l_min       -24

_diffrn_reflns_limit_l_max       24

_diffrn_reflns_theta_min         1.99

_diffrn_reflns_theta_max         27.65

_reflns_number_total             9159

_reflns_number_gt                8596

_reflns_threshold_expression     I>2σ(I)



_computing_data_collection       'Bruker APEX2'

_computing_cell_refinement       'Bruker SAINT'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
; 

 Refinement of F² against ALL reflections.  The weighted R-factor wR and 

 goodness of fit S are based on F², conventional R-factors R are based 

 on F, with F set to zero for negative F². The threshold expression of 

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 

 not relevant to the choice of reflections for refinement.  R-factors based 

 on F² 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/[σ²(Fo²)+(0.0268P)²+0.9450P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         9159

_refine_ls_number_parameters     415

_refine_ls_number_restraints     0

_refine_ls_R_factor_all          0.0229

_refine_ls_R_factor_gt           0.0211

_refine_ls_wR_factor_ref         0.0549

_refine_ls_wR_factor_gt          0.0539

_refine_ls_goodness_of_fit_ref   1.041

_refine_ls_restrained_S_all      1.041

_refine_ls_shift/su_max          0.001

_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














































































































Ru Ru 0.336969(10) 0.330298(9) 0.179882(5) 0.01398(4) Uani 1 1 d . . .
Cl Cl 0.42953(4) 0.54785(3) 0.147045(18) 0.02619(8) Uani 1 1 d . . .
P1 P 0.39609(3) 0.40889(3) 0.298162(17) 0.01618(7) Uani 1 1 d . . .
P2 P 0.14705(3) 0.19379(3) 0.198429(17) 0.01575(7) Uani 1 1 d . . .
P3 P 0.35436(3) 0.26961(3) 0.057645(18) 0.01711(7) Uani 1 1 d . . .
Si Si 0.41278(4) 0.14844(4) 0.207194(19) 0.01771(8) Uani 1 1 d . . .
C1 C 0.57123(15) 0.10564(16) 0.17378(9) 0.0282(3) Uani 1 1 d . . .
H1A H 0.5641 0.0912 0.1219 0.034 Uiso 1 1 calc R . .
H1B H 0.5855 0.0259 0.1930 0.034 Uiso 1 1 calc R . .
H1C H 0.6459 0.1777 0.1892 0.034 Uiso 1 1 calc R . .
C2 C 0.52916(15) 0.31151(16) 0.03921(8) 0.0269(3) Uani 1 1 d . . .
H2A H 0.5687 0.3979 0.0637 0.032 Uiso 1 1 calc R . .
H2B H 0.5375 0.3130 -0.0120 0.032 Uiso 1 1 calc R . .
H2C H 0.5750 0.2461 0.0561 0.032 Uiso 1 1 calc R . .
C3 C 0.31210(16) 0.10215(14) 0.01487(8) 0.0256(3) Uani 1 1 d . . .
H3A H 0.2186 0.0656 0.0206 0.031 Uiso 1 1 calc R . .
H3B H 0.3670 0.0491 0.0368 0.031 Uiso 1 1 calc R . .
H3C H 0.3280 0.1018 -0.0357 0.031 Uiso 1 1 calc R . .
C4 C 0.28460(15) 0.35752(15) -0.00814(8) 0.0260(3) Uani 1 1 d . . .
H4A H 0.2963 0.4500 0.0100 0.031 Uiso 1 1 calc R . .
H4B H 0.1901 0.3199 -0.0173 0.031 Uiso 1 1 calc R . .
H4C H 0.3300 0.3497 -0.0523 0.031 Uiso 1 1 calc R . .
C11 C 0.44252(15) 0.16239(14) 0.30780(7) 0.0226(3) Uani 1 1 d . . .
C12 C 0.42753(14) 0.27665(14) 0.34919(7) 0.0213(3) Uani 1 1 d . . .
C13 C 0.44900(17) 0.28732(15) 0.42294(8) 0.0292(3) Uani 1 1 d . . .
H13 H 0.4397 0.3648 0.4508 0.035 Uiso 1 1 calc R . .
C14 C 0.4837(2) 0.18553(18) 0.45561(9) 0.0401(4) Uani 1 1 d . . .
H14 H 0.4964 0.1929 0.5058 0.048 Uiso 1 1 calc R . .
C15 C 0.4999(2) 0.07296(18) 0.41529(9) 0.0441(5) Uani 1 1 d . . .
H15 H 0.5249 0.0038 0.4377 0.053 Uiso 1 1 calc R . .
C16 C 0.47937(19) 0.06183(16) 0.34223(9) 0.0335(4) Uani 1 1 d . . .
H16 H 0.4905 -0.0155 0.3149 0.040 Uiso 1 1 calc R . .
C21 C 0.27788(14) -0.00485(13) 0.18246(7) 0.0196(3) Uani 1 1 d . . .
C22 C 0.15020(14) 0.02097(13) 0.17659(7) 0.0187(3) Uani 1 1 d . . .
C23 C 0.03896(15) -0.08058(14) 0.16374(8) 0.0237(3) Uani 1 1 d . . .
H23 H -0.0470 -0.0616 0.1608 0.028 Uiso 1 1 calc R . .
C24 C 0.05485(17) -0.20917(14) 0.15536(8) 0.0288(3) Uani 1 1 d . . .
H24 H -0.0204 -0.2785 0.1469 0.035 Uiso 1 1 calc R . .
C25 C 0.18049(18) -0.23677(14) 0.15932(8) 0.0297(3) Uani 1 1 d . . .
H25 H 0.1911 -0.3249 0.1527 0.036 Uiso 1 1 calc R . .
C26 C 0.29080(16) -0.13599(14) 0.17296(7) 0.0252(3) Uani 1 1 d . . .
H26 H 0.3763 -0.1560 0.1759 0.030 Uiso 1 1 calc R . .
C31 C 0.55772(13) 0.52595(13) 0.30896(7) 0.0201(3) Uani 1 1 d . . .
H31 H 0.5445 0.6028 0.2844 0.024 Uiso 1 1 calc R . .
C32 C 0.66801(15) 0.47379(16) 0.27097(9) 0.0290(3) Uani 1 1 d . . .
H32A H 0.6934 0.4036 0.2963 0.035 Uiso 1 1 calc R . .
H32B H 0.6361 0.4365 0.2220 0.035 Uiso 1 1 calc R . .
C33 C 0.78790(16) 0.58543(19) 0.26909(11) 0.0407(4) Uani 1 1 d . . .
H33A H 0.7641 0.6504 0.2392 0.049 Uiso 1 1 calc R . .
H33B H 0.8606 0.5504 0.2471 0.049 Uiso 1 1 calc R . .
C34 C 0.83626(17) 0.6535(2) 0.34319(11) 0.0466(5) Uani 1 1 d . . .
H34A H 0.8751 0.5930 0.3703 0.056 Uiso 1 1 calc R . .
H34B H 0.9065 0.7311 0.3387 0.056 Uiso 1 1 calc R . .
C35 C 0.72500(16) 0.69603(18) 0.38384(10) 0.0382(4) Uani 1 1 d . . .
H35A H 0.6956 0.7671 0.3611 0.046 Uiso 1 1 calc R . .
H35B H 0.7580 0.7304 0.4330 0.046 Uiso 1 1 calc R . .
C36 C 0.60806(15) 0.58145(16) 0.38512(8) 0.0283(3) Uani 1 1 d . . .
H36A H 0.5361 0.6113 0.4108 0.034 Uiso 1 1 calc R . .
H36B H 0.6358 0.5124 0.4104 0.034 Uiso 1 1 calc R . .
C41 C 0.28042(14) 0.50443(13) 0.34277(7) 0.0192(3) Uani 1 1 d . . .
H41 H 0.1918 0.4656 0.3185 0.023 Uiso 1 1 calc R . .
C42 C 0.31017(15) 0.64682(14) 0.32433(8) 0.0231(3) Uani 1 1 d . . .
H42A H 0.3937 0.6947 0.3498 0.028 Uiso 1 1 calc R . .
H42B H 0.3215 0.6476 0.2728 0.028 Uiso 1 1 calc R . .
C43 C 0.19740(16) 0.71510(15) 0.34517(9) 0.0297(3) Uani 1 1 d . . .
H43A H 0.2199 0.8073 0.3348 0.036 Uiso 1 1 calc R . .
H43B H 0.1158 0.6718 0.3165 0.036 Uiso 1 1 calc R . .
C44 C 0.17243(17) 0.71092(16) 0.42350(9) 0.0324(4) Uani 1 1 d . . .
H44A H 0.0950 0.7500 0.4345 0.039 Uiso 1 1 calc R . .
H44B H 0.2501 0.7635 0.4523 0.039 Uiso 1 1 calc R . .
C45 C 0.14703(16) 0.57123(17) 0.44319(8) 0.0317(3) Uani 1 1 d . . .
H45A H 0.0625 0.5222 0.4193 0.038 Uiso 1 1 calc R . .
H45B H 0.1382 0.5727 0.4950 0.038 Uiso 1 1 calc R . .
C46 C 0.25771(15) 0.50046(15) 0.42219(8) 0.0249(3) Uani 1 1 d . . .
H46A H 0.2339 0.4084 0.4327 0.030 Uiso 1 1 calc R . .
H46B H 0.3403 0.5427 0.4503 0.030 Uiso 1 1 calc R . .
C51 C 0.08194(14) 0.18867(13) 0.29136(7) 0.0218(3) Uani 1 1 d . . .
H51 H 0.1387 0.2644 0.3213 0.026 Uiso 1 1 calc R . .
C52 C 0.09953(19) 0.06621(16) 0.32606(8) 0.0341(4) Uani 1 1 d . . .
H52A H 0.0437 -0.0123 0.2991 0.041 Uiso 1 1 calc R . .
H52B H 0.1928 0.0572 0.3241 0.041 Uiso 1 1 calc R . .
C53 C 0.0614(2) 0.0740(2) 0.40349(9) 0.0460(5) Uani 1 1 d . . .
H53A H 0.0718 -0.0069 0.4238 0.055 Uiso 1 1 calc R . .
H53B H 0.1215 0.1487 0.4313 0.055 Uiso 1 1 calc R . .
C54 C -0.0803(2) 0.09088(19) 0.40883(10) 0.0473(5) Uani 1 1 d . . .
H54A H -0.1411 0.0133 0.3839 0.057 Uiso 1 1 calc R . .
H54B H -0.1020 0.0984 0.4592 0.057 Uiso 1 1 calc R . .
C55 C -0.0990(2) 0.2122(2) 0.37611(10) 0.0469(5) Uani 1 1 d . . .
H55A H -0.0438 0.2903 0.4037 0.056 Uiso 1 1 calc R . .
H55B H -0.1926 0.2202 0.3782 0.056 Uiso 1 1 calc R . .
C56 C -0.06068(18) 0.20681(19) 0.29862(9) 0.0368(4) Uani 1 1 d . . .
H56A H -0.1216 0.1335 0.2703 0.044 Uiso 1 1 calc R . .
H56B H -0.0706 0.2888 0.2794 0.044 Uiso 1 1 calc R . .
C61 C 0.00539(13) 0.22788(13) 0.14485(7) 0.0181(3) Uani 1 1 d . . .
H61 H -0.0774 0.1930 0.1684 0.022 Uiso 1 1 calc R . .
C62 C 0.01853(14) 0.37701(13) 0.14669(8) 0.0224(3) Uani 1 1 d . . .
H62A H 0.0229 0.4161 0.1966 0.027 Uiso 1 1 calc R . .
H62B H 0.1018 0.4148 0.1255 0.027 Uiso 1 1 calc R . .
C63 C -0.09839(15) 0.41144(14) 0.10596(8) 0.0262(3) Uani 1 1 d . . .
H63A H -0.1806 0.3821 0.1302 0.031 Uiso 1 1 calc R . .
H63B H -0.0843 0.5075 0.1058 0.031 Uiso 1 1 calc R . .
C64 C -0.11372(15) 0.34698(14) 0.02996(8) 0.0251(3) Uani 1 1 d . . .
H64A H -0.0355 0.3830 0.0042 0.030 Uiso 1 1 calc R . .
H64B H -0.1928 0.3664 0.0057 0.030 Uiso 1 1 calc R . .
C65 C -0.12784(14) 0.19969(13) 0.02858(8) 0.0221(3) Uani 1 1 d . . .
H65A H -0.1344 0.1599 -0.0212 0.027 Uiso 1 1 calc R . .
H65B H -0.2103 0.1630 0.0508 0.027 Uiso 1 1 calc R . .
C66 C -0.01038(14) 0.16469(13) 0.06801(7) 0.0203(3) Uani 1 1 d . . .
H66A H 0.0714 0.1951 0.0436 0.024 Uiso 1 1 calc R . .
H66B H -0.0240 0.0685 0.0674 0.024 Uiso 1 1 calc R . .






_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





















































Ru P2 2.2488(4) . ?
Ru Si 2.3010(4) . ?
Ru P1 2.3309(4) . ?
Ru P3 2.3688(4) . ?
Ru Cl 2.4435(4) . ?
P1 C12 1.8423(14) . ?
P1 C31 1.8574(14) . ?
P1 C41 1.8822(14) . ?
P2 C22 1.8287(13) . ?
P2 C61 1.8660(14) . ?
P2 C51 1.9129(14) . ?
P3 C3 1.8250(14) . ?
P3 C2 1.8278(15) . ?
P3 C4 1.8328(15) . ?
Si C1 1.8985(15) . ?
Si C11 1.9103(14) . ?
Si C21 1.9140(14) . ?
C11 C16 1.402(2) . ?
C11 C12 1.407(2) . ?
C12 C13 1.400(2) . ?
C13 C14 1.387(2) . ?
C14 C15 1.387(2) . ?
C15 C16 1.386(2) . ?
C21 C22 1.403(2) . ?
C21 C26 1.4050(19) . ?
C22 C23 1.3991(19) . ?
C23 C24 1.387(2) . ?
C24 C25 1.388(2) . ?
C25 C26 1.389(2) . ?
C31 C32 1.534(2) . ?
C31 C36 1.536(2) . ?
C32 C33 1.530(2) . ?
C33 C34 1.533(3) . ?
C34 C35 1.524(3) . ?
C35 C36 1.528(2) . ?
C41 C46 1.5377(19) . ?
C41 C42 1.5424(19) . ?
C42 C43 1.531(2) . ?
C43 C44 1.522(2) . ?
C44 C45 1.523(2) . ?
C45 C46 1.529(2) . ?
C51 C56 1.534(2) . ?
C51 C52 1.540(2) . ?
C52 C53 1.534(2) . ?
C53 C54 1.517(3) . ?
C54 C55 1.513(3) . ?
C55 C56 1.536(2) . ?
C61 C66 1.5315(18) . ?
C61 C62 1.5415(18) . ?
C62 C63 1.534(2) . ?
C63 C64 1.521(2) . ?
C64 C65 1.5219(19) . ?
C65 C66 1.5288(19) . ?



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






















































































P2 Ru Si 78.630(13) . . ?
P2 Ru P1 97.170(13) . . ?
Si Ru P1 84.936(13) . . ?
P2 Ru P3 100.021(12) . . ?
Si Ru P3 90.152(13) . . ?
P1 Ru P3 160.820(13) . . ?
P2 Ru Cl 143.618(13) . . ?
Si Ru Cl 137.742(14) . . ?
P1 Ru Cl 88.817(12) . . ?
P3 Ru Cl 82.387(12) . . ?
C12 P1 C31 102.32(6) . . ?
C12 P1 C41 112.16(6) . . ?
C31 P1 C41 103.19(6) . . ?
C12 P1 Ru 110.77(5) . . ?
C31 P1 Ru 112.30(5) . . ?
C41 P1 Ru 115.14(4) . . ?
C22 P2 C61 107.00(6) . . ?
C22 P2 C51 99.91(6) . . ?
C61 P2 C51 102.83(6) . . ?
C22 P2 Ru 113.83(5) . . ?
C61 P2 Ru 111.19(4) . . ?
C51 P2 Ru 120.60(5) . . ?
C3 P3 C2 100.04(7) . . ?
C3 P3 C4 101.21(7) . . ?
C2 P3 C4 99.85(7) . . ?
C3 P3 Ru 124.58(5) . . ?
C2 P3 Ru 107.53(5) . . ?
C4 P3 Ru 119.44(5) . . ?
C1 Si C11 102.87(7) . . ?
C1 Si C21 105.75(7) . . ?
C11 Si C21 106.07(6) . . ?
C1 Si Ru 123.37(5) . . ?
C11 Si Ru 107.69(5) . . ?
C21 Si Ru 109.78(4) . . ?
C16 C11 C12 118.45(13) . . ?
C16 C11 Si 121.99(11) . . ?
C12 C11 Si 119.56(10) . . ?
C13 C12 C11 119.81(13) . . ?
C13 C12 P1 125.09(11) . . ?
C11 C12 P1 114.81(10) . . ?
C14 C13 C12 120.46(14) . . ?
C13 C14 C15 120.21(15) . . ?
C16 C15 C14 119.69(15) . . ?
C15 C16 C11 121.37(15) . . ?
C22 C21 C26 117.82(13) . . ?
C22 C21 Si 113.59(10) . . ?
C26 C21 Si 128.53(11) . . ?
C23 C22 C21 121.16(13) . . ?
C23 C22 P2 125.47(11) . . ?
C21 C22 P2 112.92(10) . . ?
C24 C23 C22 119.64(15) . . ?
C23 C24 C25 120.13(14) . . ?
C24 C25 C26 120.20(14) . . ?
C25 C26 C21 121.02(14) . . ?
C32 C31 C36 109.12(12) . . ?
C32 C31 P1 113.15(10) . . ?
C36 C31 P1 116.71(10) . . ?
C33 C32 C31 109.41(13) . . ?
C32 C33 C34 112.32(16) . . ?
C35 C34 C33 112.11(14) . . ?
C34 C35 C36 110.82(15) . . ?
C35 C36 C31 109.85(13) . . ?
C46 C41 C42 110.51(11) . . ?
C46 C41 P1 120.79(10) . . ?
C42 C41 P1 110.54(9) . . ?
C43 C42 C41 110.52(12) . . ?
C44 C43 C42 111.37(13) . . ?
C43 C44 C45 111.31(13) . . ?
C44 C45 C46 112.42(13) . . ?
C45 C46 C41 110.48(12) . . ?
C56 C51 C52 109.02(13) . . ?
C56 C51 P2 116.34(11) . . ?
C52 C51 P2 113.34(10) . . ?
C53 C52 C51 111.50(14) . . ?
C54 C53 C52 110.95(16) . . ?
C55 C54 C53 110.17(15) . . ?
C54 C55 C56 111.20(16) . . ?
C51 C56 C55 111.99(15) . . ?
C66 C61 C62 110.07(11) . . ?
C66 C61 P2 114.90(9) . . ?
C62 C61 P2 109.02(9) . . ?
C63 C62 C61 111.51(11) . . ?
C64 C63 C62 111.15(12) . . ?
C63 C64 C65 110.52(12) . . ?
C64 C65 C66 111.55(11) . . ?
C65 C66 C61 110.80(11) . . ?



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






















































































































































P2 Ru P1 C12 64.21(5) . . . . ?
Si Ru P1 C12 -13.64(5) . . . . ?
P3 Ru P1 C12 -89.36(6) . . . . ?
Cl Ru P1 C12 -151.80(5) . . . . ?
P2 Ru P1 C31 177.92(5) . . . . ?
Si Ru P1 C31 100.08(5) . . . . ?
P3 Ru P1 C31 24.36(7) . . . . ?
Cl Ru P1 C31 -38.08(5) . . . . ?
P2 Ru P1 C41 -64.38(5) . . . . ?
Si Ru P1 C41 -142.22(5) . . . . ?
P3 Ru P1 C41 142.06(6) . . . . ?
Cl Ru P1 C41 79.62(5) . . . . ?
Si Ru P2 C22 -30.10(5) . . . . ?
P1 Ru P2 C22 -113.44(5) . . . . ?
P3 Ru P2 C22 58.02(5) . . . . ?
Cl Ru P2 C22 148.76(5) . . . . ?
Si Ru P2 C61 -151.03(5) . . . . ?
P1 Ru P2 C61 125.63(5) . . . . ?
P3 Ru P2 C61 -62.91(5) . . . . ?
Cl Ru P2 C61 27.83(5) . . . . ?
Si Ru P2 C51 88.56(5) . . . . ?
P1 Ru P2 C51 5.23(5) . . . . ?
P3 Ru P2 C51 176.69(5) . . . . ?
Cl Ru P2 C51 -92.57(6) . . . . ?
P2 Ru P3 C3 -39.28(7) . . . . ?
Si Ru P3 C3 39.20(7) . . . . ?
P1 Ru P3 C3 114.07(7) . . . . ?
Cl Ru P3 C3 177.48(7) . . . . ?
P2 Ru P3 C2 -155.37(5) . . . . ?
Si Ru P3 C2 -76.89(6) . . . . ?
P1 Ru P3 C2 -2.03(7) . . . . ?
Cl Ru P3 C2 61.38(6) . . . . ?
P2 Ru P3 C4 92.02(6) . . . . ?
Si Ru P3 C4 170.50(6) . . . . ?
P1 Ru P3 C4 -114.63(7) . . . . ?
Cl Ru P3 C4 -51.22(6) . . . . ?
P2 Ru Si C1 152.69(6) . . . . ?
P1 Ru Si C1 -108.93(6) . . . . ?
P3 Ru Si C1 52.50(6) . . . . ?
Cl Ru Si C1 -26.31(7) . . . . ?
P2 Ru Si C11 -87.97(5) . . . . ?
P1 Ru Si C11 10.41(5) . . . . ?
P3 Ru Si C11 171.84(5) . . . . ?
Cl Ru Si C11 93.03(5) . . . . ?
P2 Ru Si C21 27.09(5) . . . . ?
P1 Ru Si C21 125.46(5) . . . . ?
P3 Ru Si C21 -73.11(5) . . . . ?
Cl Ru Si C21 -151.91(4) . . . . ?
C1 Si C11 C16 -53.38(15) . . . . ?
C21 Si C11 C16 57.44(15) . . . . ?
Ru Si C11 C16 174.92(13) . . . . ?
C1 Si C11 C12 126.49(13) . . . . ?
C21 Si C11 C12 -122.68(12) . . . . ?
Ru Si C11 C12 -5.20(13) . . . . ?
C16 C11 C12 C13 -0.2(2) . . . . ?
Si C11 C12 C13 179.90(12) . . . . ?
C16 C11 C12 P1 173.91(12) . . . . ?
Si C11 C12 P1 -5.97(16) . . . . ?
C31 P1 C12 C13 68.39(15) . . . . ?
C41 P1 C12 C13 -41.56(16) . . . . ?
Ru P1 C12 C13 -171.73(12) . . . . ?
C31 P1 C12 C11 -105.38(12) . . . . ?
C41 P1 C12 C11 144.67(11) . . . . ?
Ru P1 C12 C11 14.50(13) . . . . ?
C11 C12 C13 C14 -0.6(3) . . . . ?
P1 C12 C13 C14 -174.12(14) . . . . ?
C12 C13 C14 C15 1.2(3) . . . . ?
C13 C14 C15 C16 -0.9(3) . . . . ?
C14 C15 C16 C11 0.1(3) . . . . ?
C12 C11 C16 C15 0.5(3) . . . . ?
Si C11 C16 C15 -179.62(16) . . . . ?
C1 Si C21 C22 -155.95(10) . . . . ?
C11 Si C21 C22 95.26(11) . . . . ?
Ru Si C21 C22 -20.82(11) . . . . ?
C1 Si C21 C26 27.09(14) . . . . ?
C11 Si C21 C26 -81.70(14) . . . . ?
Ru Si C21 C26 162.22(11) . . . . ?
C26 C21 C22 C23 1.8(2) . . . . ?
Si C21 C22 C23 -175.50(10) . . . . ?
C26 C21 C22 P2 174.55(10) . . . . ?
Si C21 C22 P2 -2.76(13) . . . . ?
C61 P2 C22 C23 -37.62(14) . . . . ?
C51 P2 C22 C23 69.19(13) . . . . ?
Ru P2 C22 C23 -160.86(11) . . . . ?
C61 P2 C22 C21 150.01(10) . . . . ?
C51 P2 C22 C21 -103.18(10) . . . . ?
Ru P2 C22 C21 26.77(11) . . . . ?
C21 C22 C23 C24 -1.2(2) . . . . ?
P2 C22 C23 C24 -172.95(11) . . . . ?
C22 C23 C24 C25 -0.3(2) . . . . ?
C23 C24 C25 C26 1.2(2) . . . . ?
C24 C25 C26 C21 -0.5(2) . . . . ?
C22 C21 C26 C25 -1.0(2) . . . . ?
Si C21 C26 C25 175.86(11) . . . . ?
C12 P1 C31 C32 68.13(12) . . . . ?
C41 P1 C31 C32 -175.26(11) . . . . ?
Ru P1 C31 C32 -50.68(12) . . . . ?
C12 P1 C31 C36 -59.75(12) . . . . ?
C41 P1 C31 C36 56.85(12) . . . . ?
Ru P1 C31 C36 -178.56(9) . . . . ?
C36 C31 C32 C33 -60.30(17) . . . . ?
P1 C31 C32 C33 167.96(12) . . . . ?
C31 C32 C33 C34 55.6(2) . . . . ?
C32 C33 C34 C35 -52.1(2) . . . . ?
C33 C34 C35 C36 52.9(2) . . . . ?
C34 C35 C36 C31 -58.14(19) . . . . ?
C32 C31 C36 C35 62.18(17) . . . . ?
P1 C31 C36 C35 -168.00(11) . . . . ?
C12 P1 C41 C46 19.41(13) . . . . ?
C31 P1 C41 C46 -89.99(12) . . . . ?
Ru P1 C41 C46 147.30(10) . . . . ?
C12 P1 C41 C42 150.61(10) . . . . ?
C31 P1 C41 C42 41.21(11) . . . . ?
Ru P1 C41 C42 -81.50(10) . . . . ?
C46 C41 C42 C43 -57.26(16) . . . . ?
P1 C41 C42 C43 166.38(10) . . . . ?
C41 C42 C43 C44 56.70(17) . . . . ?
C42 C43 C44 C45 -54.97(18) . . . . ?
C43 C44 C45 C46 54.42(18) . . . . ?
C44 C45 C46 C41 -55.01(17) . . . . ?
C42 C41 C46 C45 56.10(16) . . . . ?
P1 C41 C46 C45 -172.69(11) . . . . ?
C22 P2 C51 C56 -107.98(12) . . . . ?
C61 P2 C51 C56 2.15(13) . . . . ?
Ru P2 C51 C56 126.59(11) . . . . ?
C22 P2 C51 C52 19.58(13) . . . . ?
C61 P2 C51 C52 129.71(12) . . . . ?
Ru P2 C51 C52 -105.85(11) . . . . ?
C56 C51 C52 C53 -55.53(19) . . . . ?
P2 C51 C52 C53 173.19(13) . . . . ?
C51 C52 C53 C54 57.8(2) . . . . ?
C52 C53 C54 C55 -57.6(2) . . . . ?
C53 C54 C55 C56 56.9(2) . . . . ?
C52 C51 C56 C55 54.98(19) . . . . ?
P2 C51 C56 C55 -175.36(12) . . . . ?
C54 C55 C56 C51 -56.7(2) . . . . ?
C22 P2 C61 C66 -41.93(11) . . . . ?
C51 P2 C61 C66 -146.65(10) . . . . ?
Ru P2 C61 C66 82.94(10) . . . . ?
C22 P2 C61 C62 -166.00(9) . . . . ?
C51 P2 C61 C62 89.28(10) . . . . ?
Ru P2 C61 C62 -41.13(10) . . . . ?
C66 C61 C62 C63 55.43(15) . . . . ?
P2 C61 C62 C63 -177.68(10) . . . . ?
C61 C62 C63 C64 -55.80(16) . . . . ?
C62 C63 C64 C65 55.90(16) . . . . ?
C63 C64 C65 C66 -56.97(16) . . . . ?
C64 C65 C66 C61 57.37(15) . . . . ?
C62 C61 C66 C65 -55.86(14) . . . . ?
P2 C61 C66 C65 -179.37(9) . . . . ?



_diffrn_measured_fraction_theta_max 0.977

_diffrn_reflns_theta_full        27.65

_diffrn_measured_fraction_theta_full 0.977

_refine_diff_density_max         0.504

_refine_diff_density_min         -0.343

_refine_diff_density_rms         0.052



#===END
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
