# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1499
 
data_p21c 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C28 H18 Mo N2 O12 Ru3' 
_chemical_formula_weight          973.59 
_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' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Mo'  'Mo'  -1.6832   0.6857 
 '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    P2(1)/c 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
  
_cell_length_a                    19.409(4) 
_cell_length_b                    9.887(2) 
_cell_length_c                    17.947(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  109.98(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      3236.7(11) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     8192 
_cell_measurement_theta_min       1.5 
_cell_measurement_theta_max       28.75 
  
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.998 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1880 
_exptl_absorpt_coefficient_mu     1.814 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(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        'Siemens P4' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             22977 
_diffrn_reflns_av_R_equivalents   0.0199 
_diffrn_reflns_av_sigmaI/netI     0.0254 
_diffrn_reflns_limit_h_min        -26 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -23 
_diffrn_reflns_limit_l_max        24 
_diffrn_reflns_theta_min          2.23 
_diffrn_reflns_theta_max          29.20 
_reflns_number_total              8673 
_reflns_number_observed           7681 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Siemens XSCANS' 
_computing_cell_refinement        'Siemens XSCANS' 
_computing_data_reduction         'Siemens SHELXTL' 
_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 5 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^)+(0.0237P)^2^+0.3503P] 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          8668 
_refine_ls_number_parameters      487 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0244 
_refine_ls_R_factor_obs           0.0192 
_refine_ls_wR_factor_all          0.0465 
_refine_ls_wR_factor_obs          0.0441 
_refine_ls_goodness_of_fit_all    1.020 
_refine_ls_goodness_of_fit_obs    1.045 
_refine_ls_restrained_S_all       1.032 
_refine_ls_restrained_S_obs       1.045 
_refine_ls_shift/esd_max          0.003 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Ru1 Ru 0.082428(7) 0.858902(13) 0.169348(7) 0.01357(3) Uani 1 d . . 
Ru2 Ru 0.192012(8) 0.685535(13) 0.138044(8) 0.01547(3) Uani 1 d . . 
Ru3 Ru 0.154872(8) 1.126302(13) 0.195745(8) 0.01600(3) Uani 1 d . . 
Mo1 Mo 0.249264(8) 0.917312(14) 0.215947(8) 0.01259(3) Uani 1 d . . 
N1 N 0.31361(8) 0.96763(14) 0.17162(8) 0.0158(3) Uani 1 d . . 
N2 N 0.28961(8) 0.89434(14) 0.31911(8) 0.0160(3) Uani 1 d . . 
O1 O -0.01659(8) 0.61192(14) 0.14924(9) 0.0311(3) Uani 1 d . . 
O2 O -0.04329(8) 1.04098(14) 0.17296(8) 0.0260(3) Uani 1 d . . 
O3 O 0.03804(8) 0.86626(14) -0.01227(8) 0.0259(3) Uani 1 d . . 
O4 O 0.13792(8) 0.81473(14) 0.35132(8) 0.0249(3) Uani 1 d . . 
O5 O 0.09371(11) 0.4705(2) 0.02437(11) 0.0503(5) Uani 1 d . . 
O6 O 0.34320(9) 0.5656(2) 0.16905(10) 0.0358(4) Uani 1 d . . 
O7 O 0.17346(8) 0.52741(13) 0.27762(8) 0.0254(3) Uani 1 d . . 
O8 O 0.20466(9) 0.85554(14) -0.00116(8) 0.0284(3) Uani 1 d . . 
O9 O 0.02897(9) 1.3309(2) 0.17606(11) 0.0382(4) Uani 1 d . . 
O10 O 0.28183(8) 1.32056(14) 0.22204(10) 0.0325(3) Uani 1 d . . 
O11 O 0.18694(9) 1.1062(2) 0.37672(9) 0.0318(3) Uani 1 d . . 
O12 O 0.12869(9) 1.12469(15) 0.01638(8) 0.0289(3) Uani 1 d . . 
C1 C 0.02284(10) 0.6996(2) 0.15665(10) 0.0203(3) Uani 1 d . . 
C2 C 0.00609(10) 0.9802(2) 0.17318(10) 0.0186(3) Uani 1 d . . 
C3 C 0.05844(10) 0.8673(2) 0.05525(11) 0.0193(3) Uani 1 d . . 
C4 C 0.12224(10) 0.8338(2) 0.28536(11) 0.0183(3) Uani 1 d . . 
C5 C 0.12817(12) 0.5506(2) 0.06517(12) 0.0276(4) Uani 1 d . . 
C6 C 0.28695(11) 0.6103(2) 0.15683(12) 0.0234(4) Uani 1 d . . 
C7 C 0.18156(10) 0.5930(2) 0.22945(11) 0.0191(3) Uani 1 d . . 
C8 C 0.20103(10) 0.7977(2) 0.05207(11) 0.0205(3) Uani 1 d . . 
C9 C 0.07309(11) 1.2534(2) 0.18183(12) 0.0248(4) Uani 1 d . . 
C10 C 0.23465(11) 1.2474(2) 0.21281(11) 0.0226(4) Uani 1 d . . 
C11 C 0.17524(10) 1.1066(2) 0.31053(11) 0.0217(4) Uani 1 d . . 
C12 C 0.13914(10) 1.1190(2) 0.08246(11) 0.0213(4) Uani 1 d . . 
C20 C 0.37816(10) 0.9934(2) 0.15702(10) 0.0169(3) Uani 1 d . . 
C21 C 0.37663(11) 1.0797(2) 0.09291(11) 0.0202(3) Uani 1 d . . 
C22 C 0.44022(12) 1.0941(2) 0.07487(12) 0.0268(4) Uani 1 d . . 
C23 C 0.50424(12) 1.0286(2) 0.11791(13) 0.0295(4) Uani 1 d . . 
C24 C 0.50633(11) 0.9486(2) 0.18239(12) 0.0254(4) Uani 1 d . . 
C25 C 0.44419(10) 0.9303(2) 0.20329(10) 0.0198(3) Uani 1 d . . 
C26 C 0.30803(13) 1.1528(2) 0.04597(13) 0.0281(4) Uani 1 d . . 
C27 C 0.44856(12) 0.8441(2) 0.27418(12) 0.0264(4) Uani 1 d . . 
C30 C 0.33959(10) 0.8956(2) 0.39633(10) 0.0174(3) Uani 1 d . . 
C31 C 0.37631(10) 1.0156(2) 0.43000(10) 0.0205(3) Uani 1 d . . 
C32 C 0.42084(11) 1.0139(2) 0.50950(11) 0.0258(4) Uani 1 d . . 
C33 C 0.43118(11) 0.8964(2) 0.55418(11) 0.0271(4) Uani 1 d . . 
C34 C 0.39813(11) 0.7771(2) 0.51931(11) 0.0243(4) Uani 1 d . . 
C35 C 0.35206(10) 0.7739(2) 0.44017(10) 0.0197(3) Uani 1 d . . 
C36 C 0.36966(12) 1.1424(2) 0.38171(12) 0.0246(4) Uani 1 d . . 
C37 C 0.31670(11) 0.6447(2) 0.40235(11) 0.0230(4) Uani 1 d . . 
H22 H 0.4420(14) 1.1500(25) 0.0361(15) 0.035(7) Uiso 1 d . . 
H23 H 0.5418(14) 1.0369(25) 0.1018(14) 0.033(6) Uiso 1 d . . 
H24 H 0.5494(13) 0.9082(23) 0.2122(13) 0.025(6) Uiso 1 d . . 
H26A H 0.3174(16) 1.2051(29) 0.0088(17) 0.050(8) Uiso 1 d . . 
H26B H 0.2917(16) 1.2054(28) 0.0780(17) 0.050(8) Uiso 1 d . . 
H26C H 0.2705(16) 1.0893(28) 0.0190(16) 0.045(8) Uiso 1 d . . 
H27A H 0.4955(16) 0.8047(27) 0.2964(16) 0.045(8) Uiso 1 d . . 
H27B H 0.4133(16) 0.7752(28) 0.2629(16) 0.048(8) Uiso 1 d . . 
H27C H 0.4403(15) 0.9012(26) 0.3156(15) 0.040(7) Uiso 1 d . . 
H32 H 0.4460(12) 1.0933(22) 0.5308(13) 0.022(5) Uiso 1 d . . 
H33 H 0.4613(14) 0.8991(23) 0.6092(14) 0.028(6) Uiso 1 d . . 
H34 H 0.4067(12) 0.6950(21) 0.5471(13) 0.019(5) Uiso 1 d . . 
H36A H 0.4109(15) 1.2043(26) 0.4075(15) 0.039(7) Uiso 1 d . . 
H36B H 0.3256(17) 1.1858(28) 0.3749(16) 0.048(8) Uiso 1 d . . 
H36C H 0.3732(16) 1.1252(26) 0.3298(17) 0.043(7) Uiso 1 d . . 
H37A H 0.3273(15) 0.6268(26) 0.3555(16) 0.041(7) Uiso 1 d . . 
H37B H 0.2654(13) 0.6473(20) 0.3897(13) 0.018(5) Uiso 1 d . . 
H37C H 0.3351(12) 0.5666(22) 0.4362(13) 0.024(6) Uiso 1 d . . 
  
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Ru1 0.01306(6) 0.01518(6) 0.01247(6) 0.00143(4) 0.00437(5) 0.00136(5) 
Ru2 0.01576(7) 0.01490(6) 0.01639(6) -0.00098(5) 0.00632(5) 0.00089(5) 
Ru3 0.01580(7) 0.01390(6) 0.01855(7) 0.00039(5) 0.00621(5) 0.00174(5) 
Mo1 0.01289(7) 0.01374(6) 0.01138(6) 0.00140(5) 0.00446(5) 0.00098(5) 
N1 0.0170(7) 0.0155(6) 0.0164(6) 0.0006(5) 0.0074(6) 0.0004(5) 
N2 0.0160(7) 0.0172(6) 0.0153(6) 0.0010(5) 0.0061(6) 0.0016(5) 
O1 0.0287(8) 0.0262(7) 0.0344(8) 0.0017(6) 0.0057(7) -0.0079(6) 
O2 0.0227(7) 0.0292(7) 0.0300(7) 0.0034(6) 0.0140(6) 0.0071(6) 
O3 0.0257(7) 0.0339(7) 0.0160(6) 0.0030(5) 0.0044(5) 0.0057(6) 
O4 0.0244(7) 0.0323(7) 0.0176(6) 0.0050(5) 0.0069(5) -0.0002(6) 
O5 0.0551(12) 0.0444(10) 0.0440(10) -0.0199(8) 0.0074(9) -0.0188(9) 
O6 0.0271(8) 0.0375(8) 0.0493(9) 0.0154(7) 0.0215(7) 0.0117(7) 
O7 0.0263(7) 0.0238(6) 0.0283(7) 0.0038(5) 0.0122(6) -0.0005(6) 
O8 0.0361(8) 0.0320(7) 0.0201(7) 0.0000(5) 0.0133(6) -0.0005(6) 
O9 0.0286(8) 0.0265(7) 0.0610(11) -0.0015(7) 0.0172(8) 0.0093(6) 
O10 0.0291(8) 0.0242(7) 0.0427(9) 0.0055(6) 0.0105(7) -0.0057(6) 
O11 0.0350(8) 0.0386(8) 0.0248(7) -0.0051(6) 0.0142(7) -0.0036(7) 
O12 0.0311(8) 0.0332(8) 0.0229(7) 0.0039(6) 0.0100(6) 0.0023(6) 
C1 0.0195(8) 0.0224(8) 0.0173(8) 0.0026(6) 0.0039(7) 0.0022(7) 
C2 0.0195(8) 0.0206(8) 0.0160(8) 0.0022(6) 0.0065(7) 0.0005(7) 
C3 0.0160(8) 0.0205(8) 0.0212(9) 0.0017(6) 0.0059(7) 0.0022(7) 
C4 0.0151(8) 0.0188(8) 0.0211(8) 0.0013(6) 0.0064(7) -0.0004(6) 
C5 0.0306(10) 0.0255(9) 0.0268(9) -0.0043(8) 0.0100(9) -0.0015(8) 
C6 0.0255(10) 0.0217(8) 0.0270(9) 0.0052(7) 0.0140(8) 0.0022(7) 
C7 0.0167(8) 0.0174(8) 0.0237(9) -0.0028(7) 0.0075(7) 0.0001(7) 
C8 0.0212(9) 0.0215(8) 0.0203(8) -0.0043(7) 0.0089(7) 0.0019(7) 
C9 0.0239(9) 0.0200(8) 0.0317(10) -0.0014(7) 0.0111(8) 0.0001(7) 
C10 0.0251(9) 0.0160(8) 0.0261(9) 0.0014(7) 0.0079(8) 0.0025(7) 
C11 0.0192(8) 0.0215(8) 0.0260(9) -0.0030(7) 0.0097(7) -0.0022(7) 
C12 0.0194(8) 0.0173(8) 0.0277(10) 0.0020(7) 0.0084(8) 0.0017(7) 
C20 0.0186(8) 0.0171(7) 0.0165(7) -0.0039(6) 0.0080(7) -0.0037(6) 
C21 0.0242(9) 0.0182(8) 0.0204(8) -0.0014(6) 0.0106(7) -0.0045(7) 
C22 0.0322(11) 0.0269(9) 0.0264(10) -0.0024(8) 0.0166(9) -0.0098(8) 
C23 0.0243(10) 0.0367(11) 0.0340(11) -0.0100(9) 0.0183(9) -0.0133(9) 
C24 0.0157(8) 0.0334(10) 0.0269(9) -0.0100(8) 0.0069(8) -0.0042(8) 
C25 0.0183(8) 0.0222(8) 0.0182(8) -0.0058(6) 0.0054(7) -0.0037(7) 
C26 0.0349(11) 0.0271(10) 0.0273(10) 0.0090(8) 0.0171(9) 0.0032(9) 
C27 0.0197(9) 0.0345(10) 0.0224(9) 0.0046(8) 0.0039(8) 0.0033(8) 
C30 0.0150(8) 0.0250(8) 0.0138(7) 0.0013(6) 0.0070(6) 0.0029(7) 
C31 0.0196(8) 0.0263(9) 0.0166(8) -0.0003(7) 0.0075(7) 0.0014(7) 
C32 0.0223(9) 0.0347(11) 0.0185(8) -0.0039(7) 0.0046(8) -0.0016(8) 
C33 0.0223(9) 0.0427(11) 0.0147(8) 0.0029(8) 0.0042(8) 0.0027(8) 
C34 0.0219(9) 0.0346(10) 0.0161(8) 0.0081(7) 0.0061(7) 0.0040(8) 
C35 0.0170(8) 0.0259(9) 0.0176(8) 0.0042(7) 0.0074(7) 0.0021(7) 
C36 0.0263(10) 0.0241(9) 0.0208(9) -0.0022(7) 0.0045(8) -0.0016(8) 
C37 0.0234(9) 0.0261(9) 0.0195(9) 0.0056(7) 0.0075(8) 0.0027(8) 
  
_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 C1 1.921(2) . ? 
Ru1 C2 1.925(2) . ? 
Ru1 C3 1.941(2) . ? 
Ru1 C4 1.973(2) . ? 
Ru1 Ru2 2.9315(5) . ? 
Ru1 Ru3 2.9556(5) . ? 
Ru1 Mo1 3.1094(8) . ? 
Ru2 C6 1.907(2) . ? 
Ru2 C7 1.948(2) . ? 
Ru2 C8 1.956(2) . ? 
Ru2 C5 1.979(2) . ? 
Ru2 Mo1 2.7165(5) . ? 
Ru3 C10 1.898(2) . ? 
Ru3 C12 1.951(2) . ? 
Ru3 C11 1.970(2) . ? 
Ru3 C9 1.972(2) . ? 
Ru3 Mo1 2.7025(4) . ? 
Mo1 N2 1.761(2) . ? 
Mo1 N1 1.7660(15) . ? 
N1 C20 1.388(2) . ? 
N2 C30 1.394(2) . ? 
O1 C1 1.134(2) . ? 
O2 C2 1.130(2) . ? 
O3 C3 1.139(2) . ? 
O4 C4 1.133(2) . ? 
O5 C5 1.130(3) . ? 
O6 C6 1.127(2) . ? 
O7 C7 1.134(2) . ? 
O8 C8 1.136(2) . ? 
O9 C9 1.127(2) . ? 
O10 C10 1.134(2) . ? 
O11 C11 1.131(2) . ? 
O12 C12 1.134(2) . ? 
C20 C25 1.412(3) . ? 
C20 C21 1.424(2) . ? 
C21 C22 1.386(3) . ? 
C21 C26 1.496(3) . ? 
C22 C23 1.380(3) . ? 
C23 C24 1.390(3) . ? 
C24 C25 1.392(3) . ? 
C25 C27 1.510(3) . ? 
C30 C31 1.409(3) . ? 
C30 C35 1.412(2) . ? 
C31 C32 1.393(3) . ? 
C31 C36 1.505(3) . ? 
C32 C33 1.386(3) . ? 
C33 C34 1.386(3) . ? 
C34 C35 1.396(3) . ? 
C35 C37 1.499(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 
C1 Ru1 C2 94.31(8) . . ? 
C1 Ru1 C3 89.57(8) . . ? 
C2 Ru1 C3 95.78(8) . . ? 
C1 Ru1 C4 91.43(7) . . ? 
C2 Ru1 C4 93.97(7) . . ? 
C3 Ru1 C4 170.09(7) . . ? 
C1 Ru1 Ru2 86.84(6) . . ? 
C2 Ru1 Ru2 171.30(5) . . ? 
C3 Ru1 Ru2 75.59(6) . . ? 
C4 Ru1 Ru2 94.62(6) . . ? 
C1 Ru1 Ru3 170.59(5) . . ? 
C2 Ru1 Ru3 76.53(6) . . ? 
C3 Ru1 Ru3 93.45(5) . . ? 
C4 Ru1 Ru3 87.13(5) . . ? 
Ru2 Ru1 Ru3 102.54(2) . . ? 
C1 Ru1 Mo1 135.54(5) . . ? 
C2 Ru1 Mo1 128.18(5) . . ? 
C3 Ru1 Mo1 97.37(6) . . ? 
C4 Ru1 Mo1 75.12(6) . . ? 
Ru2 Ru1 Mo1 53.348(12) . . ? 
Ru3 Ru1 Mo1 52.848(6) . . ? 
C6 Ru2 C7 92.30(8) . . ? 
C6 Ru2 C8 91.10(8) . . ? 
C7 Ru2 C8 173.44(7) . . ? 
C6 Ru2 C5 101.71(9) . . ? 
C7 Ru2 C5 91.05(8) . . ? 
C8 Ru2 C5 93.75(8) . . ? 
C6 Ru2 Mo1 92.15(6) . . ? 
C7 Ru2 Mo1 96.00(5) . . ? 
C8 Ru2 Mo1 78.26(5) . . ? 
C5 Ru2 Mo1 164.20(6) . . ? 
C6 Ru2 Ru1 156.14(6) . . ? 
C7 Ru2 Ru1 79.75(5) . . ? 
C8 Ru2 Ru1 94.93(6) . . ? 
C5 Ru2 Ru1 100.91(6) . . ? 
Mo1 Ru2 Ru1 66.68(2) . . ? 
C10 Ru3 C12 91.15(8) . . ? 
C10 Ru3 C11 91.86(8) . . ? 
C12 Ru3 C11 171.83(7) . . ? 
C10 Ru3 C9 101.26(8) . . ? 
C12 Ru3 C9 93.38(8) . . ? 
C11 Ru3 C9 93.48(8) . . ? 
C10 Ru3 Mo1 88.99(6) . . ? 
C12 Ru3 Mo1 88.23(6) . . ? 
C11 Ru3 Mo1 84.23(6) . . ? 
C9 Ru3 Mo1 169.58(6) . . ? 
C10 Ru3 Ru1 155.17(6) . . ? 
C12 Ru3 Ru1 84.46(5) . . ? 
C11 Ru3 Ru1 89.64(6) . . ? 
C9 Ru3 Ru1 103.39(6) . . ? 
Mo1 Ru3 Ru1 66.50(2) . . ? 
N2 Mo1 N1 112.39(7) . . ? 
N2 Mo1 Ru3 106.09(5) . . ? 
N1 Mo1 Ru3 105.99(5) . . ? 
N2 Mo1 Ru2 112.90(5) . . ? 
N1 Mo1 Ru2 103.51(5) . . ? 
Ru3 Mo1 Ru2 115.88(2) . . ? 
N2 Mo1 Ru1 107.88(6) . . ? 
N1 Mo1 Ru1 139.72(5) . . ? 
Ru3 Mo1 Ru1 60.656(13) . . ? 
Ru2 Mo1 Ru1 59.973(14) . . ? 
C20 N1 Mo1 163.60(13) . . ? 
C30 N2 Mo1 162.26(13) . . ? 
O1 C1 Ru1 174.8(2) . . ? 
O2 C2 Ru1 173.3(2) . . ? 
O3 C3 Ru1 173.3(2) . . ? 
O4 C4 Ru1 172.7(2) . . ? 
O5 C5 Ru2 177.6(2) . . ? 
O6 C6 Ru2 179.0(2) . . ? 
O7 C7 Ru2 172.7(2) . . ? 
O8 C8 Ru2 175.3(2) . . ? 
O9 C9 Ru3 176.4(2) . . ? 
O10 C10 Ru3 179.1(2) . . ? 
O11 C11 Ru3 174.5(2) . . ? 
O12 C12 Ru3 174.9(2) . . ? 
N1 C20 C25 120.3(2) . . ? 
N1 C20 C21 119.4(2) . . ? 
C25 C20 C21 120.3(2) . . ? 
C22 C21 C20 118.4(2) . . ? 
C22 C21 C26 120.7(2) . . ? 
C20 C21 C26 120.9(2) . . ? 
C23 C22 C21 121.6(2) . . ? 
C22 C23 C24 119.8(2) . . ? 
C23 C24 C25 121.1(2) . . ? 
C24 C25 C20 118.7(2) . . ? 
C24 C25 C27 119.7(2) . . ? 
C20 C25 C27 121.6(2) . . ? 
N2 C30 C31 120.8(2) . . ? 
N2 C30 C35 118.4(2) . . ? 
C31 C30 C35 120.9(2) . . ? 
C32 C31 C30 118.3(2) . . ? 
C32 C31 C36 120.1(2) . . ? 
C30 C31 C36 121.6(2) . . ? 
C33 C32 C31 121.3(2) . . ? 
C34 C33 C32 119.9(2) . . ? 
C33 C34 C35 121.0(2) . . ? 
C34 C35 C30 118.4(2) . . ? 
C34 C35 C37 121.0(2) . . ? 
C30 C35 C37 120.6(2) . . ? 
  
_refine_diff_density_max    0.556 
_refine_diff_density_min   -0.768 
_refine_diff_density_rms    0.082