 
data_01src294
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C66 H66 P4 Ru Si2' 
_chemical_formula_weight          1140.32 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 '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                    12.677(3) 
_cell_length_b                    16.058(3) 
_cell_length_c                    16.085(3) 
_cell_angle_alpha                 110.32(3) 
_cell_angle_beta                  93.16(3) 
_cell_angle_gamma                 96.36(3) 
_cell_volume                      3036.2(10) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used    26996 
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.20 
_exptl_crystal_size_mid           0.08 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.247 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1188 
_exptl_absorpt_coefficient_mu     0.441 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.9169 
_exptl_absorpt_correction_T_max   0.9783 
_exptl_absorpt_process_details    'SORTAV (Blessing, 1997)' 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'Bruker-Nonius FR591 rotating anode' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker-Nonius KappaCCD' 
_diffrn_measurement_method        'Φ & ω scans' 
_diffrn_detector_area_resol_mean  9.091 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             42685 
_diffrn_reflns_av_R_equivalents   0.0959 
_diffrn_reflns_av_sigmaI/netI     0.0867 
_diffrn_reflns_limit_h_min        -16 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -20 
_diffrn_reflns_limit_l_max        20 
_diffrn_reflns_theta_min          2.92 
_diffrn_reflns_theta_max          27.46 
_reflns_number_total              13576 
_reflns_number_gt                 9761 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'COLLECT (Hooft, 1998)'  
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)' 
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_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)+(0.0565P)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     constr
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0000(16) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          13576 
_refine_ls_number_parameters      665 
_refine_ls_number_restraints      18 
_refine_ls_R_factor_all           0.0753 
_refine_ls_R_factor_gt            0.0460 
_refine_ls_wR_factor_ref          0.1216 
_refine_ls_wR_factor_gt           0.1093 
_refine_ls_goodness_of_fit_ref    1.033 
_refine_ls_restrained_S_all       4.474 
_refine_ls_shift/su_max           1.959 
_refine_ls_shift/su_mean          0.033 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
C1 C 0.4535(9) 0.3114(8) 0.4542(7) 0.024(3) Uani 1 1 d . . . 
C2 C 0.4027(10) 0.2839(9) 0.5160(9) 0.035(3) Uani 1 1 d . . . 
H2 H 0.3270 0.2767 0.5129 0.042 Uiso 1 1 calc R . . 
C3 C 0.4605(12) 0.2666(11) 0.5821(10) 0.049(4) Uani 1 1 d . . . 
H3 H 0.4244 0.2481 0.6243 0.059 Uiso 1 1 calc R . . 
C4 C 0.5707(11) 0.2763(10) 0.5871(10) 0.045(4) Uani 1 1 d . . . 
H4 H 0.6104 0.2650 0.6329 0.054 Uiso 1 1 calc R . . 
C5 C 0.6227(10) 0.3025(9) 0.5253(9) 0.039(3) Uani 1 1 d . . . 
H5 H 0.6984 0.3086 0.5282 0.046 Uiso 1 1 calc R . . 
C6 C 0.5647(10) 0.3200(8) 0.4588(8) 0.031(3) Uani 1 1 d . . . 
H6 H 0.6009 0.3379 0.4162 0.037 Uiso 1 1 calc R . . 
C7 C 0.4742(9) 0.3804(8) 0.3131(7) 0.023(3) Uani 1 1 d . . . 
C8 C 0.5091(9) 0.4720(8) 0.3356(8) 0.029(3) Uani 1 1 d . . . 
H8 H 0.4798 0.5146 0.3824 0.035 Uiso 1 1 calc R . . 
C9 C 0.5863(10) 0.5010(9) 0.2901(9) 0.036(3) Uani 1 1 d . . . 
H9 H 0.6089 0.5633 0.3054 0.043 Uiso 1 1 calc R . . 
C10 C 0.6304(11) 0.4396(10) 0.2225(10) 0.043(4) Uani 1 1 d . . . 
H10 H 0.6833 0.4597 0.1916 0.052 Uiso 1 1 calc R . . 
C11 C 0.5976(10) 0.3493(10) 0.2002(9) 0.038(3) Uani 1 1 d . . . 
H11 H 0.6280 0.3072 0.1537 0.046 Uiso 1 1 calc R . . 
C12 C 0.5203(9) 0.3194(9) 0.2451(8) 0.030(3) Uani 1 1 d . . . 
H12 H 0.4986 0.2569 0.2295 0.036 Uiso 1 1 calc R . . 
C13 C 0.3184(9) 0.4371(8) 0.4389(7) 0.024(3) Uani 1 1 d . . . 
H13A H 0.2783 0.4231 0.4847 0.028 Uiso 1 1 calc R . . 
H13B H 0.3776 0.4857 0.4698 0.028 Uiso 1 1 calc R . . 
C14 C 0.2448(9) 0.4679(8) 0.3810(8) 0.024(3) Uani 1 1 d . . . 
H14A H 0.2883 0.5011 0.3502 0.029 Uiso 1 1 calc R . . 
H14B H 0.2003 0.5095 0.4193 0.029 Uiso 1 1 calc R . . 
C15 C 0.1556(9) 0.4077(8) 0.2000(7) 0.023(3) Uani 1 1 d . . . 
C16 C 0.2527(10) 0.4285(8) 0.1698(8) 0.029(3) Uani 1 1 d . . . 
H16 H 0.3174 0.4245 0.1999 0.035 Uiso 1 1 calc R . . 
C17 C 0.2560(12) 0.4548(9) 0.0966(9) 0.040(3) Uani 1 1 d . . . 
H17 H 0.3226 0.4704 0.0778 0.048 Uiso 1 1 calc R . . 
C18 C 0.1616(13) 0.4586(10) 0.0507(9) 0.043(4) Uani 1 1 d . . . 
H18 H 0.1636 0.4763 0.0002 0.051 Uiso 1 1 calc R . . 
C19 C 0.0659(12) 0.4367(9) 0.0782(9) 0.041(4) Uani 1 1 d . . . 
H19 H 0.0016 0.4397 0.0468 0.049 Uiso 1 1 calc R . . 
C20 C 0.0613(10) 0.4103(8) 0.1519(8) 0.030(3) Uani 1 1 d . . . 
H20 H -0.0058 0.3939 0.1695 0.036 Uiso 1 1 calc R . . 
C21 C 0.0241(9) 0.3904(8) 0.3329(7) 0.022(3) Uani 1 1 d . . . 
C22 C -0.0079(10) 0.4753(8) 0.3568(8) 0.031(3) Uani 1 1 d . . . 
H22 H 0.0407 0.5245 0.3563 0.038 Uiso 1 1 calc R . . 
C23 C -0.1087(10) 0.4887(9) 0.3811(9) 0.038(3) Uani 1 1 d . . . 
H23 H -0.1290 0.5470 0.3974 0.046 Uiso 1 1 calc R . . 
C24 C -0.1813(10) 0.4172(9) 0.3818(9) 0.034(3) Uani 1 1 d . . . 
H24 H -0.2512 0.4264 0.3981 0.041 Uiso 1 1 calc R . . 
C25 C -0.1507(10) 0.3331(8) 0.3588(8) 0.032(3) Uani 1 1 d . . . 
H25 H -0.1996 0.2842 0.3597 0.039 Uiso 1 1 calc R . . 
C26 C -0.0492(9) 0.3195(8) 0.3343(7) 0.025(3) Uani 1 1 d . . . 
H26 H -0.0291 0.2611 0.3183 0.030 Uiso 1 1 calc R . . 
C27 C 0.0088(9) 0.1699(7) 0.1036(7) 0.022(3) Uani 1 1 d . . . 
C28 C 0.0567(10) 0.1778(8) 0.0306(7) 0.026(3) Uani 1 1 d . . . 
H28 H 0.1283 0.1666 0.0236 0.031 Uiso 1 1 calc R . . 
C29 C 0.0009(10) 0.2020(9) -0.0320(8) 0.032(3) Uani 1 1 d . . . 
H29 H 0.0342 0.2063 -0.0821 0.038 Uiso 1 1 calc R . . 
C30 C -0.1028(11) 0.2198(9) -0.0220(8) 0.036(3) Uani 1 1 d . . . 
H30 H -0.1410 0.2363 -0.0650 0.043 Uiso 1 1 calc R . . 
C31 C -0.1502(11) 0.2134(9) 0.0511(8) 0.036(3) Uani 1 1 d . . . 
H31 H -0.2212 0.2260 0.0585 0.043 Uiso 1 1 calc R . . 
C32 C -0.0950(9) 0.1887(8) 0.1138(8) 0.029(3) Uani 1 1 d . . . 
H32 H -0.1285 0.1848 0.1640 0.035 Uiso 1 1 calc R . . 
C33 C -0.0241(9) 0.0734(8) 0.2217(7) 0.023(3) Uani 1 1 d . . . 
C34 C -0.0979(9) 0.0068(8) 0.1588(8) 0.028(3) Uani 1 1 d . . . 
H34 H -0.0957 -0.0031 0.0972 0.034 Uiso 1 1 calc R . . 
C35 C -0.1739(10) -0.0446(9) 0.1854(9) 0.036(3) Uani 1 1 d . . . 
H35 H -0.2234 -0.0896 0.1422 0.043 Uiso 1 1 calc R . . 
C36 C -0.1779(10) -0.0305(9) 0.2744(10) 0.040(3) Uani 1 1 d . . . 
H36 H -0.2299 -0.0663 0.2924 0.048 Uiso 1 1 calc R . . 
C37 C -0.1073(11) 0.0349(10) 0.3374(9) 0.041(3) Uani 1 1 d . . . 
H37 H -0.1115 0.0452 0.3989 0.049 Uiso 1 1 calc R . . 
C38 C -0.0296(10) 0.0861(8) 0.3111(8) 0.030(3) Uani 1 1 d . . . 
H38 H 0.0202 0.1304 0.3548 0.036 Uiso 1 1 calc R . . 
C39 C 0.1470(9) 0.0417(8) 0.1171(7) 0.022(3) Uani 1 1 d . . . 
H39A H 0.0923 -0.0071 0.0779 0.027 Uiso 1 1 calc R . . 
H39B H 0.1958 0.0614 0.0795 0.027 Uiso 1 1 calc R . . 
C40 C 0.2091(9) 0.0091(8) 0.1811(8) 0.025(3) Uani 1 1 d . . . 
H40A H 0.2553 -0.0339 0.1473 0.030 Uiso 1 1 calc R . . 
H40B H 0.1583 -0.0230 0.2081 0.030 Uiso 1 1 calc R . . 
C41 C 0.2993(10) 0.0541(8) 0.3590(8) 0.028(3) Uani 1 1 d . . . 
C42 C 0.2404(11) 0.0818(9) 0.4309(9) 0.038(3) Uani 1 1 d . . . 
H42 H 0.1960 0.1268 0.4351 0.045 Uiso 1 1 calc R . . 
C43 C 0.2450(14) 0.0451(11) 0.4968(10) 0.052(4) Uani 1 1 d . . . 
H43 H 0.2035 0.0650 0.5455 0.062 Uiso 1 1 calc R . . 
C44 C 0.3084(14) -0.0192(11) 0.4929(11) 0.057(4) Uani 1 1 d . . . 
H44 H 0.3128 -0.0427 0.5395 0.068 Uiso 1 1 calc R . . 
C45 C 0.3653(14) -0.0495(12) 0.4215(12) 0.061(5) Uani 1 1 d . . . 
H45 H 0.4077 -0.0957 0.4175 0.073 Uiso 1 1 calc R . . 
C46 C 0.3620(12) -0.0135(10) 0.3546(10) 0.047(4) Uani 1 1 d . . . 
H46 H 0.4026 -0.0349 0.3055 0.057 Uiso 1 1 calc R . . 
C47 C 0.4267(9) 0.0957(8) 0.2355(9) 0.029(3) Uani 1 1 d . . . 
C48 C 0.5164(10) 0.1174(9) 0.2986(10) 0.039(3) Uani 1 1 d . . . 
H48 H 0.5070 0.1325 0.3600 0.046 Uiso 1 1 calc R . . 
C49 C 0.6183(11) 0.1169(10) 0.2717(13) 0.053(4) Uani 1 1 d . . . 
H49 H 0.6782 0.1306 0.3147 0.064 Uiso 1 1 calc R . . 
C50 C 0.6330(12) 0.0966(11) 0.1835(14) 0.064(5) Uani 1 1 d . . . 
H50 H 0.7032 0.0970 0.1658 0.076 Uiso 1 1 calc R . . 
C51 C 0.5468(12) 0.0755(10) 0.1202(12) 0.053(4) Uani 1 1 d . . . 
H51 H 0.5576 0.0617 0.0591 0.064 Uiso 1 1 calc R . . 
C52 C 0.4442(10) 0.0744(9) 0.1461(9) 0.036(3) Uani 1 1 d . . . 
H52 H 0.3850 0.0591 0.1022 0.044 Uiso 1 1 calc R . . 
C53 C 0.2855(9) 0.2308(7) 0.1690(8) 0.024(3) Uani 1 1 d . . . 
C54 C 0.3222(9) 0.2306(8) 0.1031(8) 0.026(3) Uani 1 1 d . . . 
C55 C 0.3709(10) 0.2369(9) 0.0294(8) 0.033(3) Uani 1 1 d . . . 
C56 C 0.4157(11) 0.2450(10) -0.0329(9) 0.043(4) Uani 1 1 d . . . 
C57 C 0.456(2) 0.1728(15) -0.2238(13) 0.102(7) Uani 1 1 d U . . 
H57A H 0.4654 0.1166 -0.2146 0.153 Uiso 1 1 calc R . . 
H57B H 0.5035 0.1807 -0.2675 0.153 Uiso 1 1 calc R . . 
H57C H 0.3821 0.1706 -0.2458 0.153 Uiso 1 1 calc R . . 
C58 C 0.4536(19) 0.3694(15) -0.1335(15) 0.101(7) Uani 1 1 d U . . 
H58A H 0.3793 0.3580 -0.1594 0.152 Uiso 1 1 calc R . . 
H58B H 0.5003 0.3856 -0.1738 0.152 Uiso 1 1 calc R . . 
H58C H 0.4618 0.4188 -0.0759 0.152 Uiso 1 1 calc R . . 
C59 C 0.6320(16) 0.287(3) -0.079(2) 0.246(8) Uani 1 1 d U . . 
H59A H 0.6437 0.3302 -0.0179 0.369 Uiso 1 1 calc R . . 
H59B H 0.6724 0.3117 -0.1178 0.369 Uiso 1 1 calc R . . 
H59C H 0.6560 0.2307 -0.0814 0.369 Uiso 1 1 calc R . . 
C60 C 0.1578(9) 0.2581(8) 0.4063(9) 0.025(3) Uani 1 1 d . . . 
C61 C 0.1216(9) 0.2718(7) 0.4694(8) 0.024(3) Uani 1 1 d . . . 
C62 C 0.0695(10) 0.2741(8) 0.5476(8) 0.029(3) Uani 1 1 d . . . 
C63 C 0.0268(11) 0.2753(9) 0.6142(9) 0.037(3) Uani 1 1 d . . . 
C64 C 0.0672(14) 0.3441(12) 0.8110(10) 0.066(5) Uani 1 1 d . . . 
H64A H 0.1306 0.3139 0.8086 0.099 Uiso 1 1 calc R . . 
H64B H 0.0359 0.3505 0.8669 0.099 Uiso 1 1 calc R . . 
H64C H 0.0873 0.4035 0.8078 0.099 Uiso 1 1 calc R . . 
C65 C -0.1565(12) 0.3291(12) 0.7240(11) 0.059(5) Uani 1 1 d . . . 
H65A H -0.1396 0.3914 0.7278 0.089 Uiso 1 1 calc R . . 
H65B H -0.1889 0.3276 0.7775 0.089 Uiso 1 1 calc R . . 
H65C H -0.2065 0.2958 0.6712 0.089 Uiso 1 1 calc R . . 
C66 C -0.0641(14) 0.1610(10) 0.7127(10) 0.055(4) Uani 1 1 d . . . 
H66A H -0.1163 0.1270 0.6615 0.083 Uiso 1 1 calc R . . 
H66B H -0.0940 0.1618 0.7678 0.083 Uiso 1 1 calc R . . 
H66C H 0.0010 0.1325 0.7070 0.083 Uiso 1 1 calc R . . 
Si1 Si 0.4905(3) 0.2673(4) -0.1176(3) 0.0523(13) Uani 1 1 d . . . 
Si2 Si -0.0319(3) 0.2767(3) 0.7156(2) 0.0324(9) Uani 1 1 d . . . 
P1 P 0.3726(2) 0.3370(2) 0.37021(19) 0.0200(7) Uani 1 1 d . . . 
P2 P 0.1563(2) 0.3718(2) 0.29627(19) 0.0191(7) Uani 1 1 d . . . 
P3 P 0.0827(2) 0.1369(2) 0.18628(19) 0.0191(7) Uani 1 1 d . . . 
P4 P 0.2929(2) 0.1027(2) 0.2712(2) 0.0210(7) Uani 1 1 d . . . 
Ru1 Ru 0.22320(7) 0.23761(6) 0.28515(5) 0.0173(4) Uani 1 1 d . . . 
 
 
_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 
C1 C2 1.381(17) . ? 
C1 C6 1.398(16) . ? 
C1 P1 1.837(12) . ? 
C2 C3 1.381(18) . ? 
C3 C4 1.384(19) . ? 
C4 C5 1.38(2) . ? 
C5 C6 1.391(17) . ? 
C7 C12 1.396(16) . ? 
C7 C8 1.400(17) . ? 
C7 P1 1.834(12) . ? 
C8 C9 1.387(17) . ? 
C9 C10 1.383(19) . ? 
C10 C11 1.37(2) . ? 
C11 C12 1.389(18) . ? 
C13 C14 1.521(16) . ? 
C13 P1 1.835(11) . ? 
C14 P2 1.866(11) . ? 
C15 C20 1.400(16) . ? 
C15 C16 1.397(17) . ? 
C15 P2 1.830(12) . ? 
C16 C17 1.383(18) . ? 
C17 C18 1.39(2) . ? 
C18 C19 1.36(2) . ? 
C19 C20 1.392(18) . ? 
C21 C26 1.394(16) . ? 
C21 C22 1.395(17) . ? 
C21 P2 1.828(11) . ? 
C22 C23 1.375(17) . ? 
C23 C24 1.393(18) . ? 
C24 C25 1.376(18) . ? 
C25 C26 1.385(16) . ? 
C27 C28 1.388(16) . ? 
C27 C32 1.389(16) . ? 
C27 P3 1.841(12) . ? 
C28 C29 1.385(17) . ? 
C29 C30 1.383(18) . ? 
C30 C31 1.379(18) . ? 
C31 C32 1.388(17) . ? 
C33 C38 1.388(16) . ? 
C33 C34 1.402(16) . ? 
C33 P3 1.838(12) . ? 
C34 C35 1.380(17) . ? 
C35 C36 1.373(19) . ? 
C36 C37 1.372(19) . ? 
C37 C38 1.390(18) . ? 
C39 C40 1.527(16) . ? 
C39 P3 1.852(11) . ? 
C40 P4 1.857(11) . ? 
C41 C42 1.380(18) . ? 
C41 C46 1.400(18) . ? 
C41 P4 1.837(13) . ? 
C42 C43 1.382(19) . ? 
C43 C44 1.37(2) . ? 
C44 C45 1.36(2) . ? 
C45 C46 1.39(2) . ? 
C47 C52 1.395(18) . ? 
C47 C48 1.408(17) . ? 
C47 P4 1.824(12) . ? 
C48 C49 1.384(19) . ? 
C49 C50 1.37(2) . ? 
C50 C51 1.38(2) . ? 
C51 C52 1.387(18) . ? 
C53 C54 1.179(17) . ? 
C53 Ru1 2.041(13) . ? 
C54 C55 1.395(18) . ? 
C55 C56 1.217(19) . ? 
C56 Si1 1.814(15) . ? 
C57 Si1 1.84(2) . ? 
C58 Si1 1.85(2) . ? 
C59 Si1 1.82(2) . ? 
C60 C61 1.099(17) . ? 
C60 Ru1 2.095(14) . ? 
C61 C62 1.444(18) . ? 
C62 C63 1.221(17) . ? 
C63 Si2 1.824(14) . ? 
C64 Si2 1.853(15) . ? 
C65 Si2 1.860(15) . ? 
C66 Si2 1.841(15) . ? 
P1 Ru1 2.352(3) . ? 
P2 Ru1 2.356(3) . ? 
P3 Ru1 2.362(3) . ? 
P4 Ru1 2.373(3) . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C2 C1 C6 118.8(11) . . ? 
C2 C1 P1 118.9(9) . . ? 
C6 C1 P1 122.3(10) . . ? 
C1 C2 C3 120.9(12) . . ? 
C4 C3 C2 120.2(14) . . ? 
C5 C4 C3 119.8(13) . . ? 
C4 C5 C6 120.2(12) . . ? 
C5 C6 C1 120.2(12) . . ? 
C12 C7 C8 118.4(11) . . ? 
C12 C7 P1 118.7(9) . . ? 
C8 C7 P1 122.9(9) . . ? 
C9 C8 C7 120.5(12) . . ? 
C10 C9 C8 120.3(13) . . ? 
C11 C10 C9 119.9(13) . . ? 
C10 C11 C12 120.4(13) . . ? 
C11 C12 C7 120.6(12) . . ? 
C14 C13 P1 110.2(7) . . ? 
C13 C14 P2 112.0(8) . . ? 
C20 C15 C16 118.2(11) . . ? 
C20 C15 P2 122.7(10) . . ? 
C16 C15 P2 119.0(9) . . ? 
C17 C16 C15 121.0(12) . . ? 
C16 C17 C18 119.9(14) . . ? 
C19 C18 C17 119.9(13) . . ? 
C18 C19 C20 120.9(13) . . ? 
C19 C20 C15 120.1(13) . . ? 
C26 C21 C22 118.1(11) . . ? 
C26 C21 P2 121.0(9) . . ? 
C22 C21 P2 120.9(9) . . ? 
C23 C22 C21 121.0(12) . . ? 
C22 C23 C24 120.4(12) . . ? 
C25 C24 C23 119.3(12) . . ? 
C24 C25 C26 120.4(12) . . ? 
C25 C26 C21 120.9(11) . . ? 
C28 C27 C32 118.9(11) . . ? 
C28 C27 P3 120.5(9) . . ? 
C32 C27 P3 120.7(9) . . ? 
C29 C28 C27 120.5(12) . . ? 
C30 C29 C28 120.5(12) . . ? 
C29 C30 C31 119.2(12) . . ? 
C30 C31 C32 120.7(12) . . ? 
C31 C32 C27 120.2(12) . . ? 
C38 C33 C34 118.2(11) . . ? 
C38 C33 P3 120.8(9) . . ? 
C34 C33 P3 120.9(9) . . ? 
C35 C34 C33 120.7(12) . . ? 
C36 C35 C34 120.0(12) . . ? 
C35 C36 C37 120.5(13) . . ? 
C36 C37 C38 119.9(13) . . ? 
C33 C38 C37 120.7(12) . . ? 
C40 C39 P3 107.0(7) . . ? 
C39 C40 P4 112.2(8) . . ? 
C42 C41 C46 117.5(12) . . ? 
C42 C41 P4 121.0(10) . . ? 
C46 C41 P4 121.5(10) . . ? 
C41 C42 C43 121.0(13) . . ? 
C44 C43 C42 120.9(15) . . ? 
C45 C44 C43 119.3(15) . . ? 
C44 C45 C46 120.7(15) . . ? 
C45 C46 C41 120.5(14) . . ? 
C52 C47 C48 117.9(12) . . ? 
C52 C47 P4 121.4(9) . . ? 
C48 C47 P4 120.6(10) . . ? 
C49 C48 C47 120.5(14) . . ? 
C50 C49 C48 120.3(15) . . ? 
C49 C50 C51 120.6(14) . . ? 
C50 C51 C52 119.7(15) . . ? 
C51 C52 C47 121.0(13) . . ? 
C54 C53 Ru1 177.3(11) . . ? 
C53 C54 C55 175.3(14) . . ? 
C56 C55 C54 177.8(15) . . ? 
C55 C56 Si1 174.1(14) . . ? 
C61 C60 Ru1 177.0(11) . . ? 
C60 C61 C62 170.7(13) . . ? 
C63 C62 C61 178.9(15) . . ? 
C62 C63 Si2 177.7(13) . . ? 
C56 Si1 C59 108.5(9) . . ? 
C56 Si1 C58 109.6(9) . . ? 
C59 Si1 C58 108.4(16) . . ? 
C56 Si1 C57 109.2(8) . . ? 
C59 Si1 C57 112.9(18) . . ? 
C58 Si1 C57 108.2(10) . . ? 
C63 Si2 C66 109.5(7) . . ? 
C63 Si2 C64 107.3(7) . . ? 
C66 Si2 C64 111.4(8) . . ? 
C63 Si2 C65 109.9(7) . . ? 
C66 Si2 C65 109.0(8) . . ? 
C64 Si2 C65 109.8(8) . . ? 
C13 P1 C1 101.9(5) . . ? 
C13 P1 C7 104.2(6) . . ? 
C1 P1 C7 102.5(5) . . ? 
C13 P1 Ru1 105.0(4) . . ? 
C1 P1 Ru1 121.6(4) . . ? 
C7 P1 Ru1 119.1(4) . . ? 
C21 P2 C15 102.4(5) . . ? 
C21 P2 C14 102.5(5) . . ? 
C15 P2 C14 100.9(5) . . ? 
C21 P2 Ru1 120.4(4) . . ? 
C15 P2 Ru1 118.8(4) . . ? 
C14 P2 Ru1 109.0(4) . . ? 
C33 P3 C27 102.0(5) . . ? 
C33 P3 C39 98.7(5) . . ? 
C27 P3 C39 103.5(5) . . ? 
C33 P3 Ru1 123.6(4) . . ? 
C27 P3 Ru1 120.3(4) . . ? 
C39 P3 Ru1 104.9(4) . . ? 
C47 P4 C41 101.4(6) . . ? 
C47 P4 C40 103.4(5) . . ? 
C41 P4 C40 100.2(5) . . ? 
C47 P4 Ru1 116.0(4) . . ? 
C41 P4 Ru1 124.6(4) . . ? 
C40 P4 Ru1 108.4(4) . . ? 
C53 Ru1 C60 174.2(4) . . ? 
C53 Ru1 P1 91.5(3) . . ? 
C60 Ru1 P1 86.3(3) . . ? 
C53 Ru1 P2 91.5(3) . . ? 
C60 Ru1 P2 82.9(3) . . ? 
P1 Ru1 P2 82.76(11) . . ? 
C53 Ru1 P3 82.4(3) . . ? 
C60 Ru1 P3 99.8(3) . . ? 
P1 Ru1 P3 173.93(10) . . ? 
P2 Ru1 P3 97.77(11) . . ? 
C53 Ru1 P4 87.1(3) . . ? 
C60 Ru1 P4 98.4(3) . . ? 
P1 Ru1 P4 97.05(11) . . ? 
P2 Ru1 P4 178.66(11) . . ? 
P3 Ru1 P4 82.28(11) . . ? 
 
_diffrn_measured_fraction_theta_max    0.978 
_diffrn_reflns_theta_full              27.46 
_diffrn_measured_fraction_theta_full   0.978 
_refine_diff_density_max    0.764 
_refine_diff_density_min   -0.806 
_refine_diff_density_rms    0.088 
