# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1813
 
data_ic6379 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C166 H166 N16 Ru4 Si2' 
_chemical_formula_weight          2845.61 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
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' 
 'Ru'  'Ru'  -1.2594   0.8363 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    C2/c 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z+1/2' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y, z-1/2' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, -y+1/2, z-1/2' 
  
_cell_length_a                    46.3325(12) 
_cell_length_b                    13.6260(4) 
_cell_length_c                    27.5394(7) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  118.194(1) 
_cell_angle_gamma                 90.00 
_cell_volume                      15323.5(7) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(1) 
_cell_measurement_reflns_used     7554 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
  
_exptl_crystal_description        needle 
_exptl_crystal_colour             black 
_exptl_crystal_size_max           0.35 
_exptl_crystal_size_mid           0.08 
_exptl_crystal_size_min           0.04 
_exptl_crystal_density_meas       not_measured 
_exptl_crystal_density_diffrn     1.233 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              5912 
_exptl_absorpt_coefficient_mu     0.457 
_exptl_absorpt_correction_type    ' empirical used sadabs' 
_exptl_absorpt_correction_T_min   0.5092 
_exptl_absorpt_correction_T_max   0.9280 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       150(1) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens SMART CCD' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         30 
_diffrn_reflns_number             28842 
_diffrn_reflns_av_R_equivalents   0.1203 
_diffrn_reflns_av_sigmaI/netI     0.1726 
_diffrn_reflns_limit_h_min        -55 
_diffrn_reflns_limit_h_max        55 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -29 
_diffrn_reflns_limit_l_max        32 
_diffrn_reflns_theta_min          1.00 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              13116 
_reflns_number_observed           6204 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Siemens SMART' 
_computing_cell_refinement        'Siemens SAINT' 
_computing_data_reduction         'Siemens SAINT' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 898 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
 are based on F, with F set to zero for negative F^2^. The observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.1889P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          12218 
_refine_ls_number_parameters      730 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.2144 
_refine_ls_R_factor_obs           0.1122 
_refine_ls_wR_factor_all          0.3377 
_refine_ls_wR_factor_obs          0.2771 
_refine_ls_goodness_of_fit_all    1.022 
_refine_ls_goodness_of_fit_obs    1.201 
_refine_ls_restrained_S_all       1.004 
_refine_ls_restrained_S_obs       1.201 
_refine_ls_shift/esd_max          0.042 
_refine_ls_shift/esd_mean         0.002 
  
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Ru1 Ru 0.86047(2) 0.02288(8) 0.28395(4) 0.0307(3) Uani 1 d . . 
Ru2 Ru 0.81325(2) 0.01802(8) 0.18540(4) 0.0289(3) Uani 1 d . . 
Si1 Si 0.63626(10) 0.0022(5) -0.0269(2) 0.082(2) Uani 1 d . . 
N1 N 0.8834(2) -0.0313(8) 0.2406(4) 0.036(3) Uani 1 d . . 
N2 N 0.8365(2) -0.0727(8) 0.1589(4) 0.037(3) Uani 1 d . . 
N3 N 0.8484(2) -0.1144(8) 0.2928(4) 0.039(3) Uani 1 d . . 
N4 N 0.7981(2) -0.1004(7) 0.2124(4) 0.028(2) Uani 1 d . . 
N5 N 0.8324(2) 0.0752(8) 0.3144(4) 0.032(2) Uani 1 d . . 
N6 N 0.7935(2) 0.1069(7) 0.2251(3) 0.023(2) Uani 1 d . . 
N7 N 0.8675(2) 0.1629(8) 0.2645(4) 0.036(3) Uani 1 d . . 
N8 N 0.8346(2) 0.1352(7) 0.1707(4) 0.033(2) Uani 1 d . . 
C1 C 0.9860(4) 0.0030(15) 0.4775(6) 0.082(6) Uani 1 d . . 
C2 C 0.9596(3) 0.0042(12) 0.4355(6) 0.061(5) Uani 1 d . . 
C3 C 0.9301(3) 0.0124(11) 0.3891(5) 0.050(4) Uani 1 d . . 
C4 C 0.9035(3) 0.0141(10) 0.3477(5) 0.045(4) Uani 1 d . . 
C5 C 0.7690(3) 0.0264(10) 0.1213(5) 0.038(3) Uani 1 d . . 
C6 C 0.7416(3) 0.0284(9) 0.0841(4) 0.046(3) Uani 1 d . . 
C7 C 0.7093(4) 0.0241(11) 0.0466(5) 0.049(4) Uani 1 d . . 
C8 C 0.6800(4) 0.0165(11) 0.0136(6) 0.059(4) Uani 1 d . . 
C9 C 0.6224(5) 0.0396(20) -0.0994(8) 0.139(11) Uani 1 d . . 
H9A H 0.6330(5) -0.0020(20) -0.1154(8) 0.209 Uiso 1 calc R . 
H9B H 0.6283(5) 0.1083(20) -0.1004(8) 0.209 Uiso 1 calc R . 
H9C H 0.5986(5) 0.0322(20) -0.1206(8) 0.209 Uiso 1 calc R . 
C10 C 0.6174(4) 0.0767(22) 0.0035(9) 0.146(11) Uani 1 d . . 
H10A H 0.5935(4) 0.0703(22) -0.0178(9) 0.219 Uiso 1 calc R . 
H10B H 0.6236(4) 0.1454(22) 0.0034(9) 0.219 Uiso 1 calc R . 
H10C H 0.6246(4) 0.0553(22) 0.0415(9) 0.219 Uiso 1 calc R . 
C11 C 0.6262(4) -0.1267(16) -0.0241(10) 0.115(8) Uani 1 d . . 
H11A H 0.6365(4) -0.1675(16) -0.0408(10) 0.173 Uiso 1 calc R . 
H11B H 0.6023(4) -0.1353(16) -0.0444(10) 0.173 Uiso 1 calc R . 
H11C H 0.6342(4) -0.1462(16) 0.0144(10) 0.173 Uiso 1 calc R . 
C12 C 0.8683(3) -0.0762(9) 0.1912(5) 0.033(3) Uani 1 d . . 
H12A H 0.8814(3) -0.1120(9) 0.1791(5) 0.040 Uiso 1 calc R . 
C13 C 0.8186(3) -0.1494(10) 0.2584(5) 0.038(3) Uani 1 d . . 
H13A H 0.8118(3) -0.2101(10) 0.2666(5) 0.046 Uiso 1 calc R . 
C14 C 0.8037(3) 0.1104(8) 0.2781(5) 0.030(3) Uani 1 d . . 
H14A H 0.7900(3) 0.1395(8) 0.2910(5) 0.035 Uiso 1 calc R . 
C15 C 0.8558(3) 0.1899(9) 0.2127(5) 0.033(3) Uani 1 d . . 
H15A H 0.8627(3) 0.2508(9) 0.2048(5) 0.040 Uiso 1 calc R . 
C16 C 0.9189(3) -0.0350(10) 0.2615(5) 0.038(3) Uani 1 d . . 
C17 C 0.9344(4) 0.0440(12) 0.2550(7) 0.065(5) Uani 1 d . . 
H17A H 0.9219(4) 0.1003(12) 0.2367(7) 0.078 Uiso 1 calc R . 
C18 C 0.9683(5) 0.0451(17) 0.2744(10) 0.110(8) Uani 1 d . . 
H18A H 0.9786(5) 0.1011(17) 0.2690(10) 0.132 Uiso 1 calc R . 
C19 C 0.9856(4) -0.0329(17) 0.3003(9) 0.086(7) Uani 1 d . . 
H19A H 1.0085(4) -0.0326(17) 0.3126(9) 0.104 Uiso 1 calc R . 
C20 C 0.9715(4) -0.1157(17) 0.3102(7) 0.089(7) Uani 1 d . . 
H20A H 0.9843(4) -0.1715(17) 0.3287(7) 0.106 Uiso 1 calc R . 
C21 C 0.9357(4) -0.1130(12) 0.2907(7) 0.064(5) Uani 1 d . . 
H21A H 0.9250(4) -0.1651(12) 0.2988(7) 0.077 Uiso 1 calc R . 
C22 C 0.8225(3) -0.1414(10) 0.1145(5) 0.033(3) Uani 1 d . . 
C23 C 0.8302(3) -0.2388(11) 0.1263(5) 0.042(3) Uani 1 d . . 
H23A H 0.8443(3) -0.2607(11) 0.1627(5) 0.050 Uiso 1 calc R . 
C24 C 0.8160(4) -0.3047(11) 0.0815(7) 0.061(4) Uani 1 d . . 
H24A H 0.8215(4) -0.3723(11) 0.0879(7) 0.073 Uiso 1 calc R . 
C25 C 0.7948(4) -0.2750(12) 0.0291(6) 0.050(4) Uani 1 d . . 
H25A H 0.7849(4) -0.3216(12) 0.0002(6) 0.060 Uiso 1 calc R . 
C26 C 0.7881(3) -0.1791(11) 0.0193(6) 0.046(4) Uani 1 d . . 
H26A H 0.7741(3) -0.1574(11) -0.0172(6) 0.056 Uiso 1 calc R . 
C27 C 0.8014(3) -0.1117(10) 0.0615(5) 0.037(3) Uani 1 d . . 
H27A H 0.7960(3) -0.0442(10) 0.0540(5) 0.045 Uiso 1 calc R . 
C28 C 0.8694(3) -0.1875(11) 0.3325(5) 0.042(4) Uani 1 d . . 
C29 C 0.8827(4) -0.1699(12) 0.3880(6) 0.059(4) Uani 1 d . . 
H29A H 0.8775(4) -0.1111(12) 0.4009(6) 0.071 Uiso 1 calc R . 
C30 C 0.9035(4) -0.2383(15) 0.4251(7) 0.077(6) Uani 1 d . . 
H30A H 0.9137(4) -0.2254(15) 0.4635(7) 0.093 Uiso 1 calc R . 
C31 C 0.9092(4) -0.3231(14) 0.4064(8) 0.072(5) Uani 1 d . . 
H31A H 0.9232(4) -0.3703(14) 0.4321(8) 0.086 Uiso 1 calc R . 
C32 C 0.8956(4) -0.3431(13) 0.3524(8) 0.070(5) Uani 1 d . . 
H32A H 0.8999(4) -0.4037(13) 0.3399(8) 0.083 Uiso 1 calc R . 
C33 C 0.8756(3) -0.2749(12) 0.3157(6) 0.053(4) Uani 1 d . . 
H33A H 0.8657(3) -0.2890(12) 0.2774(6) 0.063 Uiso 1 calc R . 
C34 C 0.7653(3) -0.1390(9) 0.1891(5) 0.028(3) Uani 1 d . . 
C35 C 0.7501(3) -0.1783(9) 0.1375(6) 0.042(3) Uani 1 d . . 
H35A H 0.7618(3) -0.1856(9) 0.1173(6) 0.050 Uiso 1 calc R . 
C36 C 0.7167(3) -0.2086(11) 0.1136(6) 0.054(4) Uani 1 d . . 
H36A H 0.7060(3) -0.2385(11) 0.0782(6) 0.065 Uiso 1 calc R . 
C37 C 0.7007(3) -0.1930(10) 0.1433(6) 0.051(4) Uani 1 d . . 
H37A H 0.6783(3) -0.2109(10) 0.1277(6) 0.061 Uiso 1 calc R . 
C38 C 0.7152(3) -0.1530(10) 0.1943(5) 0.040(3) Uani 1 d . . 
H38A H 0.7034(3) -0.1430(10) 0.2142(5) 0.048 Uiso 1 calc R . 
C39 C 0.7482(3) -0.1270(10) 0.2167(5) 0.039(3) Uani 1 d . . 
H39A H 0.7589(3) -0.0999(10) 0.2527(5) 0.046 Uiso 1 calc R . 
C40 C 0.8395(3) 0.0733(8) 0.3719(4) 0.024(3) Uani 1 d . . 
C41 C 0.8677(3) 0.1135(10) 0.4128(5) 0.042(3) Uani 1 d . . 
H41A H 0.8829(3) 0.1440(10) 0.4037(5) 0.051 Uiso 1 calc R . 
C42 C 0.8740(3) 0.1099(12) 0.4667(6) 0.057(4) Uani 1 d . . 
H42A H 0.8936(3) 0.1371(12) 0.4950(6) 0.069 Uiso 1 calc R . 
C43 C 0.8510(4) 0.0656(12) 0.4794(5) 0.063(5) Uani 1 d . . 
H43A H 0.8548(4) 0.0656(12) 0.5165(5) 0.076 Uiso 1 calc R . 
C44 C 0.8238(3) 0.0232(12) 0.4401(5) 0.052(4) Uani 1 d . . 
H44A H 0.8094(3) -0.0106(12) 0.4500(5) 0.062 Uiso 1 calc R . 
C45 C 0.8166(3) 0.0282(10) 0.3860(5) 0.045(3) Uani 1 d . . 
H45A H 0.7967(3) 0.0020(10) 0.3581(5) 0.054 Uiso 1 calc R . 
C46 C 0.8300(3) 0.1641(10) 0.1168(5) 0.037(3) Uani 1 d . . 
C47 C 0.8558(4) 0.1565(15) 0.1057(6) 0.080(6) Uani 1 d . . 
H47A H 0.8763(4) 0.1331(15) 0.1334(6) 0.096 Uiso 1 calc R . 
C48 C 0.8523(5) 0.1822(16) 0.0554(8) 0.099(7) Uani 1 d . . 
H48A H 0.8704(5) 0.1745(16) 0.0484(8) 0.119 Uiso 1 calc R . 
C49 C 0.8238(5) 0.2185(14) 0.0149(7) 0.074(5) Uani 1 d . . 
H49A H 0.8222(5) 0.2390(14) -0.0192(7) 0.089 Uiso 1 calc R . 
C50 C 0.7973(5) 0.2249(13) 0.0242(6) 0.074(6) Uani 1 d . . 
H50A H 0.7770(5) 0.2494(13) -0.0037(6) 0.089 Uiso 1 calc R . 
C51 C 0.8003(4) 0.1948(11) 0.0760(6) 0.059(4) Uani 1 d . . 
H51A H 0.7818(4) 0.1960(11) 0.0822(6) 0.071 Uiso 1 calc R . 
C52 C 0.8842(3) 0.2360(10) 0.3036(5) 0.044(4) Uani 1 d . . 
C53 C 0.8667(4) 0.3072(11) 0.3144(6) 0.056(4) Uani 1 d . . 
H53A H 0.8435(4) 0.3099(11) 0.2925(6) 0.067 Uiso 1 calc R . 
C54 C 0.8819(5) 0.3730(14) 0.3556(6) 0.074(5) Uani 1 d . . 
H54A H 0.8694(5) 0.4178(14) 0.3645(6) 0.089 Uiso 1 calc R . 
C55 C 0.9157(5) 0.3749(14) 0.3846(9) 0.105(8) Uani 1 d . . 
H55A H 0.9267(5) 0.4273(14) 0.4092(9) 0.125 Uiso 1 calc R . 
C56 C 0.9321(5) 0.3052(15) 0.3780(10) 0.113(9) Uani 1 d . . 
H56A H 0.9547(5) 0.3002(15) 0.4037(10) 0.136 Uiso 1 calc R . 
C57 C 0.9189(4) 0.2358(13) 0.3353(8) 0.088(7) Uani 1 d . . 
H57A H 0.9323(4) 0.1917(13) 0.3280(8) 0.106 Uiso 1 calc R . 
C58 C 0.7637(3) 0.1614(9) 0.1942(5) 0.028(3) Uani 1 d . . 
C59 C 0.7336(3) 0.1249(10) 0.1872(5) 0.041(3) Uani 1 d . . 
H59A H 0.7324(3) 0.0634(10) 0.2024(5) 0.049 Uiso 1 calc R . 
C60 C 0.7057(3) 0.1812(10) 0.1575(5) 0.042(3) Uani 1 d . . 
H60A H 0.6853(3) 0.1570(10) 0.1529(5) 0.050 Uiso 1 calc R . 
C61 C 0.7063(3) 0.2671(10) 0.1353(5) 0.038(3) Uani 1 d . . 
H61A H 0.6865(3) 0.3031(10) 0.1158(5) 0.045 Uiso 1 calc R . 
C62 C 0.7353(3) 0.3052(10) 0.1402(5) 0.044(3) Uani 1 d . . 
H62A H 0.7359(3) 0.3661(10) 0.1239(5) 0.053 Uiso 1 calc R . 
C63 C 0.7639(3) 0.2489(10) 0.1708(5) 0.034(3) Uani 1 d . . 
H63A H 0.7842(3) 0.2734(10) 0.1751(5) 0.041 Uiso 1 calc R . 
C64 C 0.7667(4) 0.4640(13) 0.0587(7) 0.077(5) Uani 1 d . . 
H64A H 0.7801(4) 0.4176(13) 0.0509(7) 0.116 Uiso 1 calc R . 
H64B H 0.7631(4) 0.5235(13) 0.0366(7) 0.116 Uiso 1 calc R . 
H64C H 0.7455(4) 0.4337(13) 0.0495(7) 0.116 Uiso 1 calc R . 
C65 C 0.7842(4) 0.4906(11) 0.1197(7) 0.056(4) Uani 1 d . . 
C66 C 0.8141(5) 0.4530(14) 0.1542(8) 0.076(5) Uani 1 d . . 
H66A H 0.8246(5) 0.4117(14) 0.1396(8) 0.091 Uiso 1 calc R . 
C67 C 0.8293(6) 0.4724(15) 0.2086(12) 0.109(9) Uani 1 d . . 
H67A H 0.8486(6) 0.4377(15) 0.2326(12) 0.131 Uiso 1 calc R . 
C68 C 0.8172(6) 0.5403(18) 0.2284(8) 0.114(10) Uani 1 d . . 
H68A H 0.8298(6) 0.5628(18) 0.2652(8) 0.137 Uiso 1 calc R . 
C69 C 0.7858(5) 0.5791(13) 0.1953(7) 0.072(5) Uani 1 d . . 
H69A H 0.7754(5) 0.6214(13) 0.2098(7) 0.086 Uiso 1 calc R . 
C70 C 0.7710(4) 0.5524(13) 0.1408(7) 0.067(5) Uani 1 d . . 
H70A H 0.7501(4) 0.5796(13) 0.1169(7) 0.080 Uiso 1 calc R . 
C71 C 1.0510 0.0491 0.4434 0.200 Uiso 1 d . . 
H71A H 1.0385 0.0609 0.4634(99) 0.300 Uiso 1 calc R . 
H71B H 1.0740 0.0382 0.4698(99) 0.300 Uiso 1 calc R . 
H71C H 1.0422 -0.0089 0.4199(99) 0.300 Uiso 1 calc R . 
C72 C 1.0484 0.1272 0.4121 0.200 Uiso 1 d . . 
C73 C 1.0582 0.1688 0.3725 0.200 Uiso 1 d . . 
H73A H 1.0752 0.1350 0.3693(99) 0.240 Uiso 1 calc R . 
C74 C 1.0448 0.2569 0.3370 0.200 Uiso 1 d . . 
H74A H 1.0487 0.2747 0.3072(99) 0.240 Uiso 1 calc R . 
C75 C 1.0282 0.3019 0.3523 0.200 Uiso 1 d . . 
H75A H 1.0234 0.3668 0.3381(99) 0.240 Uiso 1 calc R . 
C76 C 1.0166 0.2825 0.3812 0.200 Uiso 1 d . . 
H76A H 1.0023 0.3287 0.3847(99) 0.240 Uiso 1 calc R . 
C77 C 1.0224 0.2024 0.4078 0.200 Uiso 1 d . . 
H77A H 1.0100 0.1880 0.4262(99) 0.240 Uiso 1 calc R . 
C78 C 0.5693 -0.3353 -0.1328 0.200 Uiso 1 d . . 
H78A H 0.5560 -0.3691 -0.1188(99) 0.300 Uiso 1 calc R . 
H78B H 0.5910 -0.3209 -0.1022(99) 0.300 Uiso 1 calc R . 
H78C H 0.5716 -0.3773 -0.1597(99) 0.300 Uiso 1 calc R . 
C79 C 0.5528 -0.2413 -0.1601 0.200 Uiso 1 d . . 
H79A H 0.5503 -0.1976 -0.1336(99) 0.240 Uiso 1 calc R . 
H79B H 0.5308 -0.2544 -0.1914(99) 0.240 Uiso 1 calc R . 
C80 C 0.5755 -0.1941 -0.1805 0.200 Uiso 1 d . . 
H80A H 0.5825 -0.2429 -0.1994(99) 0.240 Uiso 1 calc R . 
H80B H 0.5951 -0.1648 -0.1496(99) 0.240 Uiso 1 calc R . 
C81 C 0.5529 -0.1117 -0.2224 0.200 Uiso 1 d . . 
H81A H 0.5461 -0.0629 -0.2031(99) 0.240 Uiso 1 calc R . 
H81B H 0.5330 -0.1415 -0.2525(99) 0.240 Uiso 1 calc R . 
C82 C 0.5751 -0.0591 -0.2471 0.200 Uiso 1 d . . 
H82A H 0.5982 -0.0614 -0.2179(99) 0.240 Uiso 1 calc R . 
H82B H 0.5736 -0.1006 -0.2778(99) 0.240 Uiso 1 calc R . 
C83 C 0.5683 0.0406 -0.2671 0.200 Uiso 1 d . . 
H83A H 0.5837 0.0603 -0.2803(99) 0.300 Uiso 1 calc R . 
H83B H 0.5707 0.0843 -0.2372(99) 0.300 Uiso 1 calc R . 
H83C H 0.5459 0.0449 -0.2974(99) 0.300 Uiso 1 calc R . 
  
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Ru1 0.0108(5) 0.0486(7) 0.0249(5) -0.0007(5) 0.0022(4) 0.0019(5) 
Ru2 0.0114(5) 0.0453(6) 0.0244(5) -0.0003(5) 0.0039(4) 0.0031(5) 
Si1 0.019(2) 0.139(5) 0.064(3) -0.026(3) -0.001(2) 0.008(3) 
N1 0.012(5) 0.057(7) 0.035(6) -0.001(5) 0.007(4) 0.010(5) 
N2 0.014(5) 0.067(8) 0.031(6) 0.009(5) 0.011(4) 0.011(5) 
N3 0.019(5) 0.052(7) 0.040(6) -0.003(5) 0.008(5) -0.002(5) 
N4 0.018(5) 0.033(6) 0.036(6) -0.004(5) 0.015(5) 0.002(4) 
N5 0.011(5) 0.050(7) 0.033(6) -0.003(5) 0.008(4) -0.002(5) 
N6 0.010(4) 0.037(6) 0.014(5) 0.001(4) -0.001(4) -0.002(4) 
N7 0.011(5) 0.069(8) 0.023(5) -0.002(5) 0.004(4) 0.000(5) 
N8 0.016(5) 0.050(7) 0.034(6) 0.000(5) 0.011(5) 0.004(5) 
C1 0.031(8) 0.142(17) 0.044(9) 0.003(10) -0.005(7) 0.025(10) 
C2 0.021(7) 0.093(13) 0.046(8) -0.015(8) -0.003(6) 0.007(7) 
C3 0.006(6) 0.089(11) 0.040(8) -0.004(7) -0.002(6) 0.006(7) 
C4 0.035(8) 0.063(9) 0.016(6) -0.010(6) -0.004(6) 0.009(7) 
C5 0.037(8) 0.047(8) 0.029(7) 0.005(6) 0.014(6) 0.011(7) 
C6 0.026(6) 0.061(9) 0.026(5) 0.007(5) -0.008(5) 0.013(6) 
C7 0.047(9) 0.065(9) 0.030(7) 0.003(7) 0.015(7) 0.019(8) 
C8 0.036(8) 0.064(10) 0.046(9) -0.003(8) -0.006(7) 0.017(8) 
C9 0.050(12) 0.246(31) 0.079(15) -0.008(17) -0.006(11) 0.058(16) 
C10 0.032(10) 0.274(33) 0.113(18) -0.066(20) 0.019(12) 0.006(16) 
C11 0.039(11) 0.136(19) 0.168(22) -0.027(16) 0.047(13) -0.034(12) 
C12 0.016(6) 0.046(8) 0.045(8) 0.011(6) 0.021(6) 0.010(6) 
C13 0.019(6) 0.058(9) 0.031(7) -0.001(6) 0.007(6) -0.004(6) 
C14 0.019(6) 0.032(7) 0.036(7) 0.010(5) 0.011(6) -0.005(5) 
C15 0.016(6) 0.038(8) 0.053(9) -0.001(6) 0.022(6) 0.006(6) 
C16 0.029(7) 0.051(9) 0.033(7) 0.002(6) 0.015(6) 0.016(7) 
C17 0.039(9) 0.073(12) 0.092(13) 0.006(9) 0.039(9) -0.006(8) 
C18 0.038(11) 0.130(19) 0.173(23) 0.038(17) 0.059(13) 0.008(12) 
C19 0.022(8) 0.129(18) 0.121(16) -0.050(14) 0.044(10) -0.029(11) 
C20 0.029(9) 0.139(18) 0.073(12) -0.015(12) 0.004(9) 0.038(11) 
C21 0.032(8) 0.071(11) 0.086(12) 0.012(9) 0.025(8) 0.006(8) 
C22 0.021(6) 0.053(9) 0.035(7) -0.021(6) 0.020(6) -0.016(6) 
C23 0.033(8) 0.057(10) 0.033(8) -0.005(7) 0.014(6) 0.000(7) 
C24 0.048(10) 0.052(10) 0.103(14) 0.001(9) 0.052(10) 0.013(8) 
C25 0.045(9) 0.069(12) 0.042(9) -0.024(8) 0.026(8) -0.021(8) 
C26 0.044(9) 0.060(10) 0.041(8) -0.014(7) 0.025(7) -0.001(7) 
C27 0.029(7) 0.056(9) 0.033(7) -0.006(6) 0.020(6) 0.007(6) 
C28 0.007(6) 0.063(10) 0.040(8) 0.010(7) -0.001(6) -0.010(6) 
C29 0.042(9) 0.069(11) 0.048(9) 0.019(8) 0.007(8) -0.008(8) 
C30 0.057(11) 0.097(15) 0.053(11) 0.014(11) 0.006(9) -0.016(11) 
C31 0.043(10) 0.077(13) 0.070(13) 0.036(10) 0.006(9) 0.021(9) 
C32 0.042(9) 0.071(12) 0.081(13) 0.032(10) 0.017(9) 0.003(9) 
C33 0.033(8) 0.065(11) 0.059(10) 0.006(8) 0.021(8) -0.008(8) 
C34 0.016(6) 0.041(8) 0.029(6) -0.007(6) 0.011(5) -0.005(5) 
C35 0.032(7) 0.035(8) 0.055(9) -0.007(7) 0.017(7) -0.011(6) 
C36 0.032(8) 0.085(12) 0.044(9) -0.021(8) 0.016(7) -0.019(8) 
C37 0.031(8) 0.058(10) 0.063(10) 0.008(8) 0.022(8) -0.009(7) 
C38 0.025(7) 0.056(9) 0.040(8) -0.005(7) 0.015(6) -0.003(6) 
C39 0.026(7) 0.056(9) 0.028(7) 0.000(6) 0.008(6) 0.001(6) 
C40 0.017(6) 0.032(7) 0.021(6) 0.005(5) 0.007(5) -0.001(5) 
C41 0.019(6) 0.069(10) 0.024(7) -0.012(6) -0.003(5) -0.014(6) 
C42 0.022(7) 0.096(13) 0.036(8) -0.008(8) -0.001(6) -0.013(8) 
C43 0.084(13) 0.077(11) 0.025(8) -0.006(7) 0.022(8) 0.019(10) 
C44 0.034(7) 0.096(12) 0.028(7) 0.006(8) 0.016(6) -0.004(8) 
C45 0.038(8) 0.066(9) 0.031(7) 0.001(7) 0.016(6) 0.020(7) 
C46 0.017(6) 0.055(9) 0.033(7) 0.001(6) 0.008(6) -0.004(6) 
C47 0.048(10) 0.154(18) 0.040(9) 0.030(10) 0.023(8) 0.037(11) 
C48 0.086(15) 0.158(20) 0.087(14) 0.044(14) 0.069(13) 0.048(14) 
C49 0.088(15) 0.104(15) 0.049(10) 0.006(10) 0.047(11) 0.006(12) 
C50 0.069(12) 0.100(14) 0.021(8) 0.005(8) -0.004(8) -0.022(10) 
C51 0.046(9) 0.078(12) 0.048(9) 0.018(8) 0.019(8) -0.001(8) 
C52 0.027(7) 0.048(9) 0.043(8) 0.005(7) 0.005(6) 0.000(7) 
C53 0.043(9) 0.058(10) 0.073(11) -0.035(8) 0.032(8) -0.014(8) 
C54 0.074(13) 0.092(14) 0.054(10) -0.007(9) 0.029(10) 0.009(11) 
C55 0.065(13) 0.049(12) 0.125(18) -0.016(11) -0.017(13) -0.005(10) 
C56 0.043(11) 0.067(14) 0.166(23) -0.032(14) -0.002(13) -0.004(11) 
C57 0.032(9) 0.081(13) 0.109(16) -0.024(11) -0.002(10) -0.004(9) 
C58 0.019(6) 0.030(7) 0.032(7) -0.005(5) 0.011(5) -0.004(5) 
C59 0.028(7) 0.047(8) 0.042(8) 0.014(6) 0.012(6) 0.003(6) 
C60 0.017(6) 0.052(9) 0.048(8) -0.005(7) 0.010(6) 0.003(6) 
C61 0.021(7) 0.049(9) 0.039(8) 0.009(6) 0.010(6) 0.011(6) 
C62 0.038(8) 0.050(9) 0.046(8) 0.006(7) 0.022(7) 0.017(7) 
C63 0.012(6) 0.055(9) 0.037(7) -0.007(6) 0.013(5) -0.007(6) 
C64 0.070(12) 0.078(13) 0.082(13) -0.004(10) 0.034(11) -0.009(10) 
C65 0.049(10) 0.059(11) 0.059(10) 0.000(8) 0.024(8) -0.014(8) 
C66 0.059(12) 0.092(15) 0.082(14) -0.003(11) 0.036(11) -0.014(11) 
C67 0.091(17) 0.053(14) 0.135(23) 0.004(14) 0.014(16) 0.006(12) 
C68 0.102(19) 0.109(20) 0.062(13) 0.014(13) -0.019(13) -0.070(16) 
C69 0.081(14) 0.076(13) 0.070(12) -0.006(10) 0.044(11) -0.024(11) 
C70 0.066(11) 0.087(13) 0.051(10) -0.015(9) 0.030(9) -0.012(10) 
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ru1 C4 1.939(12) . ? 
Ru1 N5 1.984(10) . ? 
Ru1 N3 1.999(11) . ? 
Ru1 N7 2.050(11) . ? 
Ru1 N1 2.071(10) . ? 
Ru1 Ru2 2.5586(12) . ? 
Ru2 C5 1.977(12) . ? 
Ru2 N2 1.993(10) . ? 
Ru2 N8 2.018(10) . ? 
Ru2 N4 2.035(10) . ? 
Ru2 N6 2.111(9) . ? 
Si1 C10 1.79(2) . ? 
Si1 C8 1.80(2) . ? 
Si1 C11 1.83(2) . ? 
Si1 C9 1.86(2) . ? 
N1 C12 1.348(15) . ? 
N1 C16 1.464(15) . ? 
N2 C12 1.314(14) . ? 
N2 C22 1.429(15) . ? 
N3 C13 1.341(14) . ? 
N3 C28 1.46(2) . ? 
N4 C13 1.348(14) . ? 
N4 C34 1.440(13) . ? 
N5 C14 1.317(14) . ? 
N5 C40 1.457(14) . ? 
N6 C14 1.303(13) . ? 
N6 C58 1.436(13) . ? 
N7 C15 1.316(15) . ? 
N7 C52 1.40(2) . ? 
N8 C15 1.334(15) . ? 
N8 C46 1.45(2) . ? 
C1 C2 1.22(2) . ? 
C1 C1 1.31(3) 5_756 ? 
C2 C3 1.37(2) . ? 
C3 C4 1.22(2) . ? 
C5 C6 1.20(2) . ? 
C6 C7 1.36(2) . ? 
C7 C8 1.23(2) . ? 
C16 C21 1.34(2) . ? 
C16 C17 1.35(2) . ? 
C17 C18 1.40(2) . ? 
C18 C19 1.32(3) . ? 
C19 C20 1.39(3) . ? 
C20 C21 1.48(2) . ? 
C22 C23 1.37(2) . ? 
C22 C27 1.38(2) . ? 
C23 C24 1.41(2) . ? 
C24 C25 1.37(2) . ? 
C25 C26 1.34(2) . ? 
C26 C27 1.38(2) . ? 
C28 C33 1.36(2) . ? 
C28 C29 1.37(2) . ? 
C29 C30 1.38(2) . ? 
C30 C31 1.34(2) . ? 
C31 C32 1.34(2) . ? 
C32 C33 1.36(2) . ? 
C34 C39 1.34(2) . ? 
C34 C35 1.36(2) . ? 
C35 C36 1.43(2) . ? 
C36 C37 1.36(2) . ? 
C37 C38 1.35(2) . ? 
C38 C39 1.40(2) . ? 
C40 C41 1.372(15) . ? 
C40 C45 1.43(2) . ? 
C41 C42 1.37(2) . ? 
C42 C43 1.40(2) . ? 
C43 C44 1.34(2) . ? 
C44 C45 1.37(2) . ? 
C46 C51 1.37(2) . ? 
C46 C47 1.37(2) . ? 
C47 C48 1.36(2) . ? 
C48 C49 1.36(2) . ? 
C49 C50 1.37(2) . ? 
C50 C51 1.43(2) . ? 
C52 C53 1.38(2) . ? 
C52 C57 1.42(2) . ? 
C53 C54 1.35(2) . ? 
C54 C55 1.38(2) . ? 
C55 C56 1.28(3) . ? 
C56 C57 1.40(2) . ? 
C58 C63 1.36(2) . ? 
C58 C59 1.40(2) . ? 
C59 C60 1.39(2) . ? 
C60 C61 1.33(2) . ? 
C61 C62 1.39(2) . ? 
C62 C63 1.41(2) . ? 
C64 C65 1.52(2) . ? 
C65 C70 1.33(2) . ? 
C65 C66 1.35(2) . ? 
C66 C67 1.35(3) . ? 
C67 C68 1.32(3) . ? 
C68 C69 1.41(3) . ? 
C69 C70 1.37(2) . ? 
C71 C72 1.34 . ? 
C72 C73 1.48 . ? 
C72 C77 1.54 . ? 
C73 C74 1.49 . ? 
C74 C75 1.21 . ? 
C75 C76 1.18 . ? 
C76 C77 1.27 . ? 
C78 C79 1.50 . ? 
C79 C80 1.55 . ? 
C80 C81 1.59 . ? 
C81 C82 1.64 . ? 
C82 C83 1.44 . ? 
  
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 
C4 Ru1 N5 103.8(5) . . ? 
C4 Ru1 N3 93.3(5) . . ? 
N5 Ru1 N3 90.5(4) . . ? 
C4 Ru1 N7 94.1(5) . . ? 
N5 Ru1 N7 89.7(4) . . ? 
N3 Ru1 N7 172.3(4) . . ? 
C4 Ru1 N1 85.0(5) . . ? 
N5 Ru1 N1 171.2(4) . . ? 
N3 Ru1 N1 89.1(4) . . ? 
N7 Ru1 N1 89.6(4) . . ? 
C4 Ru1 Ru2 163.1(4) . . ? 
N5 Ru1 Ru2 93.1(3) . . ? 
N3 Ru1 Ru2 87.5(3) . . ? 
N7 Ru1 Ru2 84.8(3) . . ? 
N1 Ru1 Ru2 78.1(3) . . ? 
C5 Ru2 N2 102.7(5) . . ? 
C5 Ru2 N8 100.1(5) . . ? 
N2 Ru2 N8 90.9(4) . . ? 
C5 Ru2 N4 88.9(5) . . ? 
N2 Ru2 N4 89.0(4) . . ? 
N8 Ru2 N4 170.8(4) . . ? 
C5 Ru2 N6 84.8(4) . . ? 
N2 Ru2 N6 171.6(3) . . ? 
N8 Ru2 N6 91.4(4) . . ? 
N4 Ru2 N6 87.5(4) . . ? 
C5 Ru2 Ru1 162.1(4) . . ? 
N2 Ru2 Ru1 93.7(3) . . ? 
N8 Ru2 Ru1 86.4(3) . . ? 
N4 Ru2 Ru1 84.4(3) . . ? 
N6 Ru2 Ru1 78.4(2) . . ? 
C10 Si1 C8 107.8(8) . . ? 
C10 Si1 C11 109.5(12) . . ? 
C8 Si1 C11 108.2(8) . . ? 
C10 Si1 C9 110.5(11) . . ? 
C8 Si1 C9 110.6(10) . . ? 
C11 Si1 C9 110.1(11) . . ? 
C12 N1 C16 109.2(9) . . ? 
C12 N1 Ru1 125.7(7) . . ? 
C16 N1 Ru1 124.9(8) . . ? 
C12 N2 C22 117.9(10) . . ? 
C12 N2 Ru2 113.7(9) . . ? 
C22 N2 Ru2 127.8(7) . . ? 
C13 N3 C28 112.7(11) . . ? 
C13 N3 Ru1 120.0(9) . . ? 
C28 N3 Ru1 127.3(8) . . ? 
C13 N4 C34 111.4(10) . . ? 
C13 N4 Ru2 121.6(8) . . ? 
C34 N4 Ru2 126.9(8) . . ? 
C14 N5 C40 117.5(10) . . ? 
C14 N5 Ru1 115.9(8) . . ? 
C40 N5 Ru1 126.5(7) . . ? 
C14 N6 C58 112.7(10) . . ? 
C14 N6 Ru2 125.6(8) . . ? 
C58 N6 Ru2 121.2(7) . . ? 
C15 N7 C52 115.5(11) . . ? 
C15 N7 Ru1 120.6(8) . . ? 
C52 N7 Ru1 124.0(8) . . ? 
C15 N8 C46 115.3(10) . . ? 
C15 N8 Ru2 119.9(8) . . ? 
C46 N8 Ru2 124.8(8) . . ? 
C2 C1 C1 177.2(30) . 5_756 ? 
C1 C2 C3 176.0(19) . . ? 
C4 C3 C2 176.3(18) . . ? 
C3 C4 Ru1 176.7(12) . . ? 
C6 C5 Ru2 176.3(12) . . ? 
C5 C6 C7 172.2(14) . . ? 
C8 C7 C6 177.4(17) . . ? 
C7 C8 Si1 172.2(16) . . ? 
N2 C12 N1 123.1(11) . . ? 
N3 C13 N4 121.5(12) . . ? 
N6 C14 N5 122.7(11) . . ? 
N7 C15 N8 122.7(12) . . ? 
C21 C16 C17 121.1(14) . . ? 
C21 C16 N1 119.4(13) . . ? 
C17 C16 N1 119.3(12) . . ? 
C16 C17 C18 121.9(17) . . ? 
C19 C18 C17 119.0(19) . . ? 
C18 C19 C20 122.3(15) . . ? 
C19 C20 C21 117.2(17) . . ? 
C16 C21 C20 118.1(16) . . ? 
C23 C22 C27 120.6(11) . . ? 
C23 C22 N2 117.9(11) . . ? 
C27 C22 N2 121.5(12) . . ? 
C22 C23 C24 116.5(12) . . ? 
C25 C24 C23 122.6(14) . . ? 
C26 C25 C24 119.0(14) . . ? 
C25 C26 C27 120.7(13) . . ? 
C22 C27 C26 120.6(13) . . ? 
C33 C28 C29 118.5(13) . . ? 
C33 C28 N3 121.1(12) . . ? 
C29 C28 N3 120.3(14) . . ? 
C28 C29 C30 119.5(17) . . ? 
C31 C30 C29 119.6(17) . . ? 
C32 C31 C30 121.8(16) . . ? 
C31 C32 C33 118.8(18) . . ? 
C28 C33 C32 121.7(16) . . ? 
C39 C34 C35 119.0(11) . . ? 
C39 C34 N4 119.0(10) . . ? 
C35 C34 N4 121.6(11) . . ? 
C34 C35 C36 120.6(13) . . ? 
C37 C36 C35 117.3(13) . . ? 
C38 C37 C36 123.1(13) . . ? 
C37 C38 C39 117.7(13) . . ? 
C34 C39 C38 122.4(12) . . ? 
C41 C40 C45 119.2(11) . . ? 
C41 C40 N5 121.7(10) . . ? 
C45 C40 N5 119.2(9) . . ? 
C40 C41 C42 120.5(13) . . ? 
C41 C42 C43 119.1(12) . . ? 
C44 C43 C42 121.1(13) . . ? 
C43 C44 C45 120.6(14) . . ? 
C44 C45 C40 119.3(12) . . ? 
C51 C46 C47 119.1(13) . . ? 
C51 C46 N8 121.9(12) . . ? 
C47 C46 N8 119.0(11) . . ? 
C48 C47 C46 120.7(15) . . ? 
C49 C48 C47 122.0(17) . . ? 
C48 C49 C50 118.7(16) . . ? 
C49 C50 C51 119.6(16) . . ? 
C46 C51 C50 119.7(15) . . ? 
C53 C52 N7 119.9(12) . . ? 
C53 C52 C57 118.5(14) . . ? 
N7 C52 C57 121.5(14) . . ? 
C54 C53 C52 121.2(15) . . ? 
C53 C54 C55 119.8(18) . . ? 
C56 C55 C54 119.4(18) . . ? 
C55 C56 C57 124.4(18) . . ? 
C56 C57 C52 115.5(17) . . ? 
C63 C58 C59 118.3(11) . . ? 
C63 C58 N6 121.1(10) . . ? 
C59 C58 N6 120.7(10) . . ? 
C60 C59 C58 118.3(12) . . ? 
C61 C60 C59 122.8(13) . . ? 
C60 C61 C62 121.0(12) . . ? 
C61 C62 C63 116.6(12) . . ? 
C58 C63 C62 123.0(11) . . ? 
C70 C65 C66 117.5(16) . . ? 
C70 C65 C64 121.1(16) . . ? 
C66 C65 C64 121.3(17) . . ? 
C67 C66 C65 122.1(20) . . ? 
C68 C67 C66 119.6(22) . . ? 
C67 C68 C69 120.4(20) . . ? 
C70 C69 C68 116.0(20) . . ? 
C65 C70 C69 123.5(18) . . ? 
C71 C72 C73 144.5 . . ? 
C71 C72 C77 114.0 . . ? 
C73 C72 C77 101.0 . . ? 
C72 C73 C74 128.0 . . ? 
C75 C74 C73 108.6 . . ? 
C76 C75 C74 133.7 . . ? 
C75 C76 C77 122.8 . . ? 
C76 C77 C72 124.0 . . ? 
C78 C79 C80 105.3 . . ? 
C79 C80 C81 103.3 . . ? 
C80 C81 C82 106.4 . . ? 
C83 C82 C81 120.2 . . ? 
  
_refine_diff_density_max    2.730 
_refine_diff_density_min   -1.844 
_refine_diff_density_rms    0.242