# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'Angel Kaifer'
'Tong Ren'
'David R. Sobransingh'
'Guo-Lin Xu'
'Jie-Wen Ying'

_publ_contact_author_name        'Prof Angel Kaifer'
_publ_contact_author_address     
;
Chemistry
Univ. of Miami
PO Box 249118
Coral Gables
Florida
33124-0431
UNITED STATES OF AMERICA
;

_publ_contact_author_email       AKAIFER@MIAMI.EDU

_publ_requested_journal          'Chemical Communications'

_publ_section_title              
;
Sulfide-capped Wire-like Metallaynes As Connectors
for Au Nanoparticle Assemblies
;
_publ_contact_author_fax         '(305) 284-1880'
_publ_contact_author_phone       '(305) 284-6617'

data_um401s
_database_code_depnum_ccdc_archive 'CCDC 246907'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H92 N8 Ru2 S2 Si2'
_chemical_formula_weight         1343.94

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'
S S 0.1246 0.1234 '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

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

_cell_length_a                   11.2193(17)
_cell_length_b                   18.897(3)
_cell_length_c                   16.872(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.173(3)
_cell_angle_gamma                90.00
_cell_volume                     3435.6(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    300(2)
_cell_measurement_reflns_used    2858
_cell_measurement_theta_min      2.233
_cell_measurement_theta_max      22.078

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1408
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.787254
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   
;
SADABS, Absorption corrections using Bruker CCD based on the method of
Bob Blessing.  Acta Cryst. 1995, A51, 33
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      300(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9194
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.26
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5540
_reflns_number_gt                4187
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0610P)^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    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   0.00
_refine_ls_number_reflns         5540
_refine_ls_number_parameters     404
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0405
_refine_ls_wR_factor_ref         0.1143
_refine_ls_wR_factor_gt          0.0951
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.10535(3) 0.65434(16) -0.04756(3) 0.03590(14) Uani 1 1 d . . .
S1 S -0.93456(13) 0.6531(4) -0.32280(12) 0.0750(6) Uani 1 1 d . . .
N1 N -0.0762(11) 0.5830(6) -0.1199(8) 0.036(3) Uani 1 1 d . . .
N2 N -0.0732(13) 0.7319(6) -0.1261(9) 0.041(3) Uani 1 1 d . . .
N3 N -0.1211(13) 0.7429(6) 0.0318(9) 0.037(3) Uani 1 1 d . . .
N4 N -0.1180(13) 0.5703(6) 0.0277(9) 0.043(3) Uani 1 1 d . . .
C1 C -0.2902(5) 0.6525(13) -0.0877(3) 0.0482(15) Uani 1 1 d . . .
C2 C -0.4001(5) 0.6515(13) -0.1208(3) 0.0460(16) Uani 1 1 d . . .
C3 C -0.5278(5) 0.6503(12) -0.1677(3) 0.0404(18) Uani 1 1 d . . .
C4 C -0.5602(5) 0.6514(13) -0.2532(4) 0.066(2) Uani 1 1 d . A .
H4A H -0.4979 0.6528 -0.2798 0.079 Uiso 1 1 calc R . .
C5 C -0.6820(5) 0.6506(16) -0.2995(4) 0.064(2) Uani 1 1 d . . .
H5A H -0.7010 0.6492 -0.3567 0.076 Uiso 1 1 calc R A .
C6 C -0.7766(5) 0.6518(12) -0.2620(3) 0.0459(16) Uani 1 1 d . A .
C7 C -0.7467(4) 0.6549(13) -0.1773(3) 0.0489(13) Uani 1 1 d . . .
H7A H -0.8096 0.6589 -0.1514 0.059 Uiso 1 1 calc R A .
C8 C -0.6252(4) 0.6522(12) -0.1303(3) 0.0458(14) Uani 1 1 d . A .
H8A H -0.6071 0.6517 -0.0730 0.055 Uiso 1 1 calc R . .
C14 C 0.0283(17) 0.5468(8) -0.0949(11) 0.042(4) Uani 1 1 d . . .
C15 C 0.0442(16) 0.4773(7) -0.1411(11) 0.043(4) Uani 1 1 d . . .
C16 C 0.120(2) 0.4748(10) -0.1910(11) 0.064(5) Uani 1 1 d . . .
H16A H 0.1649 0.5146 -0.1978 0.077 Uiso 1 1 calc R . .
C17 C 0.131(2) 0.4083(11) -0.2348(14) 0.085(7) Uani 1 1 d . . .
H17A H 0.1803 0.4051 -0.2706 0.102 Uiso 1 1 calc R . .
C18 C 0.063(2) 0.3508(11) -0.2193(13) 0.087(7) Uani 1 1 d . . .
H18A H 0.0641 0.3080 -0.2461 0.105 Uiso 1 1 calc R . .
C19 C -0.004(2) 0.3576(10) -0.1664(16) 0.090(8) Uani 1 1 d . . .
H19A H -0.0458 0.3167 -0.1585 0.108 Uiso 1 1 calc R . .
C20 C -0.022(2) 0.4154(9) -0.1207(14) 0.071(6) Uani 1 1 d . . .
H20A H -0.0692 0.4153 -0.0830 0.085 Uiso 1 1 calc R . .
C21 C -0.1493(11) 0.5662(5) -0.2066(8) 0.043(3) Uani 1 1 d . . .
H21A H -0.1104 0.5278 -0.2272 0.064 Uiso 1 1 calc R . .
H21B H -0.1524 0.6071 -0.2408 0.064 Uiso 1 1 calc R . .
H21C H -0.2322 0.5527 -0.2073 0.064 Uiso 1 1 calc R . .
C22 C 0.0347(13) 0.7662(8) -0.0975(9) 0.036(4) Uani 1 1 d . . .
C23 C 0.0484(16) 0.8325(8) -0.1356(11) 0.048(4) Uani 1 1 d . . .
C24 C 0.119(2) 0.8405(10) -0.1931(13) 0.071(6) Uani 1 1 d . . .
H24A H 0.1636 0.8025 -0.2051 0.085 Uiso 1 1 calc R . .
C25 C 0.121(3) 0.9019(11) -0.2290(14) 0.089(8) Uani 1 1 d . . .
H25A H 0.1698 0.9062 -0.2651 0.107 Uiso 1 1 calc R . .
C26 C 0.057(2) 0.9588(11) -0.2169(15) 0.098(9) Uani 1 1 d . . .
H26A H 0.0626 1.0006 -0.2448 0.117 Uiso 1 1 calc R . .
C27 C -0.0183(18) 0.9571(9) -0.1641(14) 0.069(5) Uani 1 1 d . . .
H27A H -0.0646 0.9950 -0.1539 0.082 Uiso 1 1 calc R . .
C28 C -0.0142(16) 0.8883(9) -0.1274(12) 0.055(4) Uani 1 1 d . . .
H28A H -0.0643 0.8829 -0.0922 0.066 Uiso 1 1 calc R . .
C29 C -0.1702(13) 0.7468(8) -0.2031(8) 0.065(4) Uani 1 1 d . . .
H29A H -0.1432 0.7843 -0.2324 0.098 Uiso 1 1 calc R . .
H29B H -0.2450 0.7607 -0.1904 0.098 Uiso 1 1 calc R . .
H29C H -0.1857 0.7050 -0.2369 0.098 Uiso 1 1 calc R . .
C30 C -0.2330(14) 0.7854(7) -0.0012(11) 0.072(5) Uani 1 1 d . . .
H30A H -0.2351 0.8232 0.0364 0.108 Uiso 1 1 calc R . .
H30B H -0.3050 0.7561 -0.0080 0.108 Uiso 1 1 calc R . .
H30C H -0.2321 0.8047 -0.0536 0.108 Uiso 1 1 calc R . .
C31 C -0.2239(12) 0.5178(7) -0.0017(7) 0.044(3) Uani 1 1 d . . .
H31A H -0.2173 0.4816 0.0391 0.066 Uiso 1 1 calc R . .
H31B H -0.2196 0.4967 -0.0526 0.066 Uiso 1 1 calc R . .
H31C H -0.3017 0.5420 -0.0103 0.066 Uiso 1 1 calc R . .
C9 C -0.959(2) 0.7240(15) -0.3834(18) 0.036(6) Uani 0.429(13) 1 d P A 1
C10 C -1.082(3) 0.7340(19) -0.4468(18) 0.048(8) Uani 0.429(13) 1 d P A 1
C11 C -1.274(5) 0.815(4) -0.593(3) 0.15(2) Uani 0.429(13) 1 d P A 1
C12 C -1.156(6) 0.885(3) -0.423(3) 0.18(3) Uani 0.429(13) 1 d P A 1
C13 C -1.0000 0.858(3) -0.5000 0.07(2) Uani 0.429(13) 2 d SP . 1
Si1 Si -1.1321(6) 0.8203(5) -0.4877(5) 0.041(2) Uani 0.429(13) 1 d P A 1
C9B C -0.945(3) 0.5710(17) -0.385(2) 0.109(12) Uani 0.571(13) 1 d P A 2
C10B C -1.094(3) 0.5827(17) -0.441(2) 0.096(11) Uani 0.571(13) 1 d P A 2
C11B C -1.266(2) 0.4946(13) -0.5778(18) 0.072(7) Uani 0.571(13) 1 d P A 2
C12B C -0.989(4) 0.4457(15) -0.470(3) 0.116(14) Uani 0.571(13) 1 d P . 2
C13B C -1.169(3) 0.4360(17) -0.4008(16) 0.107(11) Uani 0.571(13) 1 d P A 2
Si1B Si -1.1186(11) 0.4849(7) -0.4925(8) 0.125(4) Uani 0.571(13) 1 d P . 2
C32 C 1.5499(13) 0.6768(7) 0.5010(12) 0.150 Uiso 0.903(13) 1 d P . .
C33 C 1.5989(16) 0.5991(10) 0.5656(11) 0.150 Uiso 0.903(13) 1 d P . .
C34 C 1.7004(16) 0.5487(9) 0.5633(10) 0.150 Uiso 0.903(13) 1 d P . .

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 0.0310(2) 0.0327(2) 0.0421(2) 0.0001(9) 0.00696(16) 0.0006(8)
S1 0.0353(7) 0.0980(15) 0.0817(13) 0.030(4) -0.0002(8) 0.003(3)
N1 0.032(6) 0.033(6) 0.034(6) 0.000(4) -0.005(4) 0.001(4)
N2 0.050(7) 0.031(6) 0.048(7) 0.009(5) 0.021(6) 0.000(5)
N3 0.037(6) 0.025(5) 0.049(7) -0.016(5) 0.011(6) 0.000(4)
N4 0.038(7) 0.043(7) 0.045(7) -0.016(5) 0.009(6) -0.010(5)
C1 0.045(3) 0.040(4) 0.057(3) -0.005(11) 0.012(3) 0.015(10)
C2 0.035(3) 0.045(4) 0.054(3) -0.004(10) 0.007(2) -0.010(10)
C3 0.033(2) 0.032(5) 0.052(3) 0.016(7) 0.005(2) 0.007(7)
C4 0.036(3) 0.113(7) 0.049(3) -0.003(12) 0.012(3) -0.030(10)
C5 0.049(3) 0.099(6) 0.041(3) -0.003(12) 0.009(3) 0.003(12)
C6 0.035(3) 0.048(4) 0.053(3) -0.006(10) 0.010(3) -0.019(8)
C7 0.036(3) 0.051(3) 0.062(4) 0.003(14) 0.018(3) 0.009(11)
C8 0.046(3) 0.044(3) 0.048(3) 0.007(10) 0.012(2) -0.004(10)
C14 0.065(10) 0.018(7) 0.053(10) -0.011(6) 0.030(8) -0.005(6)
C15 0.054(9) 0.025(8) 0.046(9) -0.004(6) 0.008(7) 0.018(7)
C16 0.090(13) 0.047(9) 0.057(10) -0.013(7) 0.021(10) 0.020(8)
C17 0.108(14) 0.075(14) 0.074(13) -0.022(10) 0.031(11) 0.036(11)
C18 0.111(16) 0.061(14) 0.091(15) -0.009(11) 0.029(12) 0.048(12)
C19 0.087(13) 0.038(9) 0.119(18) -0.014(9) -0.014(13) -0.004(8)
C20 0.090(12) 0.030(8) 0.098(13) -0.005(8) 0.036(10) -0.012(7)
C21 0.035(5) 0.020(4) 0.060(8) -0.006(4) -0.005(5) 0.015(4)
C22 0.025(6) 0.044(9) 0.036(8) -0.007(6) 0.004(5) -0.010(5)
C23 0.047(9) 0.046(10) 0.045(9) 0.007(7) 0.004(7) 0.010(8)
C24 0.089(13) 0.050(10) 0.087(14) -0.017(9) 0.046(11) -0.009(8)
C25 0.14(2) 0.067(14) 0.072(13) 0.004(10) 0.057(13) -0.034(13)
C26 0.115(18) 0.052(13) 0.095(16) 0.039(12) -0.023(13) -0.013(12)
C27 0.070(9) 0.032(8) 0.105(14) 0.012(7) 0.027(10) 0.000(6)
C28 0.051(8) 0.044(9) 0.069(9) 0.005(7) 0.016(7) -0.013(7)
C29 0.053(7) 0.109(10) 0.031(6) 0.019(6) 0.010(5) 0.037(6)
C30 0.057(8) 0.018(5) 0.125(12) -0.002(6) 0.000(8) 0.012(5)
C31 0.035(6) 0.070(8) 0.030(5) 0.000(5) 0.015(5) -0.013(5)
C9 0.018(8) 0.037(11) 0.048(13) 0.008(9) 0.002(9) -0.004(8)
C10 0.037(13) 0.069(17) 0.039(14) -0.012(11) 0.010(11) -0.024(12)
C11 0.11(3) 0.27(6) 0.05(2) 0.02(3) -0.02(2) -0.01(3)
C12 0.20(5) 0.18(4) 0.09(3) -0.01(3) -0.07(3) -0.03(3)
C13 0.04(3) 0.05(2) 0.11(6) 0.000 -0.01(3) 0.000
Si1 0.022(3) 0.054(5) 0.037(4) 0.005(3) -0.008(3) 0.000(3)
C9B 0.094(19) 0.083(19) 0.11(2) -0.025(15) -0.042(15) -0.033(15)
C10B 0.067(17) 0.09(2) 0.11(2) -0.023(15) -0.011(15) -0.031(15)
C11B 0.056(12) 0.081(14) 0.056(13) 0.000(10) -0.021(10) -0.026(10)
C12B 0.055(17) 0.13(2) 0.13(3) 0.075(16) -0.022(16) -0.026(12)
C13B 0.15(2) 0.112(19) 0.049(12) 0.016(11) 0.018(13) -0.071(16)
Si1B 0.141(9) 0.114(8) 0.102(8) 0.005(7) 0.002(7) -0.035(7)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 1.907(14) . ?
Ru1 C1 1.995(5) . ?
Ru1 N4 2.064(14) . ?
Ru1 N2 2.074(13) . ?
Ru1 N3 2.181(12) . ?
Ru1 Ru1 2.4597(8) 2 ?
S1 C9 1.66(3) . ?
S1 C6 1.784(5) . ?
S1 C9B 1.86(3) . ?
N1 C14 1.32(2) . ?
N1 C21 1.499(16) . ?
N2 C22 1.339(19) . ?
N2 C29 1.471(18) . ?
N3 C22 1.327(18) 2 ?
N3 C30 1.463(18) . ?
N4 C14 1.363(19) 2 ?
N4 C31 1.521(17) . ?
C1 C2 1.204(7) . ?
C2 C3 1.431(7) . ?
C3 C4 1.386(8) . ?
C3 C8 1.407(7) . ?
C4 C5 1.372(8) . ?
C5 C6 1.378(7) . ?
C6 C7 1.377(7) . ?
C7 C8 1.374(7) . ?
C14 N4 1.363(19) 2 ?
C14 C15 1.56(2) . ?
C15 C16 1.35(3) . ?
C15 C20 1.48(3) . ?
C16 C17 1.48(2) . ?
C17 C18 1.39(3) . ?
C18 C19 1.32(3) . ?
C19 C20 1.38(3) . ?
C22 N3 1.327(18) 2 ?
C22 C23 1.44(2) . ?
C23 C28 1.30(2) . ?
C23 C24 1.42(3) . ?
C24 C25 1.31(3) . ?
C25 C26 1.34(3) . ?
C26 C27 1.39(3) . ?
C27 C28 1.43(2) . ?
C9 C10 1.50(4) . ?
C10 Si1 1.80(4) . ?
C11 Si1 2.02(5) . ?
C12 Si1 1.71(6) . ?
C13 Si1 1.71(2) . ?
C13 Si1 1.71(2) 2_354 ?
C9B C10B 1.69(4) . ?
C10B Si1B 2.03(3) . ?
C11B Si1B 1.88(3) . ?
C12B C12B 0.98(9) 2_354 ?
C12B Si1B 1.59(4) . ?
C12B Si1B 1.68(5) 2_354 ?
C13B Si1B 2.02(3) . ?
Si1B C12B 1.68(5) 2_354 ?
Si1B Si1B 2.74(3) 2_354 ?
C32 C32 1.11(3) 2_856 ?
C32 C33 1.82(2) . ?
C33 C34 1.49(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 Ru1 C1 96.8(6) . . ?
N1 Ru1 N4 84.5(6) . . ?
C1 Ru1 N4 87.3(7) . . ?
N1 Ru1 N2 89.92(18) . . ?
C1 Ru1 N2 98.3(6) . . ?
N4 Ru1 N2 172.5(6) . . ?
N1 Ru1 N3 173.3(6) . . ?
C1 Ru1 N3 88.1(6) . . ?
N4 Ru1 N3 100.45(16) . . ?
N2 Ru1 N3 84.8(6) . . ?
N1 Ru1 Ru1 96.5(4) . 2 ?
C1 Ru1 Ru1 160.19(17) . 2 ?
N4 Ru1 Ru1 79.4(4) . 2 ?
N2 Ru1 Ru1 96.3(4) . 2 ?
N3 Ru1 Ru1 80.0(4) . 2 ?
C9 S1 C6 109.4(11) . . ?
C9 S1 C9B 110.5(7) . . ?
C6 S1 C9B 102.1(12) . . ?
C14 N1 C21 113.4(13) . . ?
C14 N1 Ru1 117.2(11) . . ?
C21 N1 Ru1 129.1(8) . . ?
C22 N2 C29 126.7(14) . . ?
C22 N2 Ru1 114.3(12) . . ?
C29 N2 Ru1 118.8(10) . . ?
C22 N3 C30 119.1(13) 2 . ?
C22 N3 Ru1 126.9(11) 2 . ?
C30 N3 Ru1 113.3(10) . . ?
C14 N4 C31 112.9(13) 2 . ?
C14 N4 Ru1 126.9(11) 2 . ?
C31 N4 Ru1 118.8(9) . . ?
C2 C1 Ru1 172.6(5) . . ?
C1 C2 C3 174.3(6) . . ?
C4 C3 C8 117.1(5) . . ?
C4 C3 C2 120.6(5) . . ?
C8 C3 C2 122.2(5) . . ?
C5 C4 C3 121.5(5) . . ?
C4 C5 C6 120.8(5) . . ?
C7 C6 C5 118.7(5) . . ?
C7 C6 S1 120.8(4) . . ?
C5 C6 S1 120.4(4) . . ?
C8 C7 C6 120.9(5) . . ?
C7 C8 C3 120.8(5) . . ?
N1 C14 N4 118.8(14) . 2 ?
N1 C14 C15 119.4(15) . . ?
N4 C14 C15 121.9(15) 2 . ?
C16 C15 C20 124.3(16) . . ?
C16 C15 C14 121.2(16) . . ?
C20 C15 C14 114.4(15) . . ?
C15 C16 C17 120(2) . . ?
C18 C17 C16 116(2) . . ?
C19 C18 C17 120(2) . . ?
C18 C19 C20 131(2) . . ?
C19 C20 C15 109.4(19) . . ?
N3 C22 N2 121.2(16) 2 . ?
N3 C22 C23 121.3(14) 2 . ?
N2 C22 C23 117.3(14) . . ?
C28 C23 C24 114.0(17) . . ?
C28 C23 C22 122.3(17) . . ?
C24 C23 C22 123.3(16) . . ?
C25 C24 C23 120(2) . . ?
C24 C25 C26 124(2) . . ?
C25 C26 C27 121.7(18) . . ?
C26 C27 C28 110.3(18) . . ?
C23 C28 C27 130.1(19) . . ?
C10 C9 S1 120(2) . . ?
C9 C10 Si1 121(2) . . ?
Si1 C13 Si1 130(3) . 2_354 ?
C13 Si1 C12 94(3) . . ?
C13 Si1 C10 103.8(17) . . ?
C12 Si1 C10 120(2) . . ?
C13 Si1 C11 114.2(18) . . ?
C12 Si1 C11 111(2) . . ?
C10 Si1 C11 112(2) . . ?
C10B C9B S1 96.0(19) . . ?
C9B C10B Si1B 96.6(19) . . ?
C12B C12B Si1B 78(4) 2_354 . ?
C12B C12B Si1B 67(5) 2_354 2_354 ?
Si1B C12B Si1B 114.2(19) . 2_354 ?
C12B Si1B C12B 35(3) . 2_354 ?
C12B Si1B C11B 142(2) . . ?
C12B Si1B C11B 109.0(17) 2_354 . ?
C12B Si1B C13B 92(2) . . ?
C12B Si1B C13B 118.3(19) 2_354 . ?
C11B Si1B C13B 104.8(14) . . ?
C12B Si1B C10B 108.5(16) . . ?
C12B Si1B C10B 122.5(17) 2_354 . ?
C11B Si1B C10B 102.9(13) . . ?
C13B Si1B C10B 97.1(15) . . ?
C12B Si1B Si1B 34.0(14) . 2_354 ?
C12B Si1B Si1B 31.8(13) 2_354 2_354 ?
C11B Si1B Si1B 127.0(12) . 2_354 ?
C13B Si1B Si1B 124.1(13) . 2_354 ?
C10B Si1B Si1B 91.2(9) . 2_354 ?
C32 C32 C33 98.7(13) 2_856 . ?
C34 C33 C32 127.2(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
C1 Ru1 N1 C14 -153.7(12) . . . . ?
N4 Ru1 N1 C14 -67.1(12) . . . . ?
N2 Ru1 N1 C14 107.9(13) . . . . ?
N3 Ru1 N1 C14 70(5) . . . . ?
Ru1 Ru1 N1 C14 11.5(12) 2 . . . ?
C1 Ru1 N1 C21 33.3(13) . . . . ?
N4 Ru1 N1 C21 119.9(12) . . . . ?
N2 Ru1 N1 C21 -65.1(11) . . . . ?
N3 Ru1 N1 C21 -103(5) . . . . ?
Ru1 Ru1 N1 C21 -161.4(11) 2 . . . ?
N1 Ru1 N2 C22 -107.6(12) . . . . ?
C1 Ru1 N2 C22 155.6(12) . . . . ?
N4 Ru1 N2 C22 -66(5) . . . . ?
N3 Ru1 N2 C22 68.3(12) . . . . ?
Ru1 Ru1 N2 C22 -11.1(11) 2 . . . ?
N1 Ru1 N2 C29 76.0(10) . . . . ?
C1 Ru1 N2 C29 -20.9(12) . . . . ?
N4 Ru1 N2 C29 117(4) . . . . ?
N3 Ru1 N2 C29 -108.2(11) . . . . ?
Ru1 Ru1 N2 C29 172.5(10) 2 . . . ?
N1 Ru1 N3 C22 -62(6) . . . 2 ?
C1 Ru1 N3 C22 161.5(15) . . . 2 ?
N4 Ru1 N3 C22 74.6(14) . . . 2 ?
N2 Ru1 N3 C22 -99.9(15) . . . 2 ?
Ru1 Ru1 N3 C22 -2.6(14) 2 . . 2 ?
N1 Ru1 N3 C30 108(5) . . . . ?
C1 Ru1 N3 C30 -28.5(11) . . . . ?
N4 Ru1 N3 C30 -115.3(12) . . . . ?
N2 Ru1 N3 C30 70.1(11) . . . . ?
Ru1 Ru1 N3 C30 167.5(11) 2 . . . ?
N1 Ru1 N4 C14 100.3(14) . . . 2 ?
C1 Ru1 N4 C14 -162.6(14) . . . 2 ?
N2 Ru1 N4 C14 59(5) . . . 2 ?
N3 Ru1 N4 C14 -75.0(13) . . . 2 ?
Ru1 Ru1 N4 C14 2.6(13) 2 . . 2 ?
N1 Ru1 N4 C31 -65.2(10) . . . . ?
C1 Ru1 N4 C31 31.9(11) . . . . ?
N2 Ru1 N4 C31 -107(5) . . . . ?
N3 Ru1 N4 C31 119.5(11) . . . . ?
Ru1 Ru1 N4 C31 -162.9(10) 2 . . . ?
N1 Ru1 C1 C2 -46(16) . . . . ?
N4 Ru1 C1 C2 -130(16) . . . . ?
N2 Ru1 C1 C2 45(16) . . . . ?
N3 Ru1 C1 C2 130(16) . . . . ?
Ru1 Ru1 C1 C2 -177(15) 2 . . . ?
Ru1 C1 C2 C3 0(42) . . . . ?
C1 C2 C3 C4 -1(28) . . . . ?
C1 C2 C3 C8 -177(100) . . . . ?
C8 C3 C4 C5 -4(4) . . . . ?
C2 C3 C4 C5 -180(3) . . . . ?
C3 C4 C5 C6 3(4) . . . . ?
C4 C5 C6 C7 1(4) . . . . ?
C4 C5 C6 S1 178(2) . . . . ?
C9 S1 C6 C7 118(2) . . . . ?
C9B S1 C6 C7 -124(2) . . . . ?
C9 S1 C6 C5 -59(3) . . . . ?
C9B S1 C6 C5 58(3) . . . . ?
C5 C6 C7 C8 -4(4) . . . . ?
S1 C6 C7 C8 178.5(18) . . . . ?
C6 C7 C8 C3 4(4) . . . . ?
C4 C3 C8 C7 0(4) . . . . ?
C2 C3 C8 C7 176(2) . . . . ?
C21 N1 C14 N4 162.3(13) . . . 2 ?
Ru1 N1 C14 N4 -12(2) . . . 2 ?
C21 N1 C14 C15 -20(2) . . . . ?
Ru1 N1 C14 C15 166.3(12) . . . . ?
N1 C14 C15 C16 107.2(18) . . . . ?
N4 C14 C15 C16 -75(2) 2 . . . ?
N1 C14 C15 C20 -77(2) . . . . ?
N4 C14 C15 C20 101(2) 2 . . . ?
C20 C15 C16 C17 6(3) . . . . ?
C14 C15 C16 C17 -179.0(17) . . . . ?
C15 C16 C17 C18 -2(3) . . . . ?
C16 C17 C18 C19 -2(3) . . . . ?
C17 C18 C19 C20 1(4) . . . . ?
C18 C19 C20 C15 2(3) . . . . ?
C16 C15 C20 C19 -6(3) . . . . ?
C14 C15 C20 C19 178.6(16) . . . . ?
C29 N2 C22 N3 -172.3(13) . . . 2 ?
Ru1 N2 C22 N3 12(2) . . . 2 ?
C29 N2 C22 C23 13(2) . . . . ?
Ru1 N2 C22 C23 -162.7(12) . . . . ?
N3 C22 C23 C28 -106(2) 2 . . . ?
N2 C22 C23 C28 69(2) . . . . ?
N3 C22 C23 C24 82(2) 2 . . . ?
N2 C22 C23 C24 -103.5(19) . . . . ?
C28 C23 C24 C25 3(3) . . . . ?
C22 C23 C24 C25 176(2) . . . . ?
C23 C24 C25 C26 -2(4) . . . . ?
C24 C25 C26 C27 0(4) . . . . ?
C25 C26 C27 C28 0(3) . . . . ?
C24 C23 C28 C27 -3(3) . . . . ?
C22 C23 C28 C27 -176.1(17) . . . . ?
C26 C27 C28 C23 2(3) . . . . ?
C6 S1 C9 C10 174.2(19) . . . . ?
C9B S1 C9 C10 63(2) . . . . ?
S1 C9 C10 Si1 158.5(17) . . . . ?
Si1 C13 Si1 C12 145.6(18) 2_354 . . . ?
Si1 C13 Si1 C10 23.8(9) 2_354 . . . ?
Si1 C13 Si1 C11 -99(2) 2_354 . . . ?
C9 C10 Si1 C13 40(2) . . . . ?
C9 C10 Si1 C12 -63(3) . . . . ?
C9 C10 Si1 C11 164(3) . . . . ?
C9 S1 C9B C10B -60.9(19) . . . . ?
C6 S1 C9B C10B -177.2(16) . . . . ?
S1 C9B C10B Si1B -169.1(16) . . . . ?
Si1B C12B Si1B C12B 58(4) 2_354 . . 2_354 ?
C12B C12B Si1B C11B 23(4) 2_354 . . . ?
Si1B C12B Si1B C11B 81(3) 2_354 . . . ?
C12B C12B Si1B C13B 141(3) 2_354 . . . ?
Si1B C12B Si1B C13B -161(2) 2_354 . . . ?
C12B C12B Si1B C10B -121(3) 2_354 . . . ?
Si1B C12B Si1B C10B -63(3) 2_354 . . . ?
C12B C12B Si1B Si1B -58(4) 2_354 . . 2_354 ?
C9B C10B Si1B C12B -8(3) . . . . ?
C9B C10B Si1B C12B -43(3) . . . 2_354 ?
C9B C10B Si1B C11B -166.2(19) . . . . ?
C9B C10B Si1B C13B 87(2) . . . . ?
C9B C10B Si1B Si1B -37.7(19) . . . 2_354 ?
C32 C32 C33 C34 149(2) 2_856 . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.794
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.296

data_comp02
_database_code_depnum_ccdc_archive 'CCDC 246908'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C88 H108 N8 O4 Ru2 S2 Si2'
_chemical_formula_weight         1664.26

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   12.9758(12)
_cell_length_b                   13.8400(12)
_cell_length_c                   14.2445(13)
_cell_angle_alpha                106.950(2)
_cell_angle_beta                 104.661(2)
_cell_angle_gamma                107.477(2)
_cell_volume                     2165.2(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    300(2)
_cell_measurement_reflns_used    2820
_cell_measurement_theta_min      2.477
_cell_measurement_theta_max      23.609

_exptl_crystal_description       Plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             872
_exptl_absorpt_coefficient_mu    0.477
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.658487
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   
;
SADABS, Absorption corrections using Bruker CCD based on the method of
Bob Blessing.  Acta Cryst. 1995, A51, 33
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      300(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11313
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_sigmaI/netI    0.1113
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7536
_reflns_number_gt                4690
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0480P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7536
_refine_ls_number_parameters     470
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0603
_refine_ls_wR_factor_ref         0.1315
_refine_ls_wR_factor_gt          0.1194
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.021
_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 0.52345(4) 0.96132(4) -0.43378(3) 0.03911(15) Uani 1 1 d . . .
Si Si 1.0968(2) 0.3284(2) 0.4295(2) 0.1066(8) Uani 1 1 d . . .
S S 0.73189(19) 0.23091(18) 0.22140(17) 0.0997(7) Uani 1 1 d . . .
N1 N 0.4358(4) 1.0179(3) -0.3507(3) 0.0430(11) Uani 1 1 d . . .
N2 N 0.6667(4) 1.0910(3) -0.3310(3) 0.0449(11) Uani 1 1 d . . .
N3 N 0.6252(4) 0.9207(3) -0.5197(3) 0.0446(11) Uani 1 1 d . . .
N4 N 0.3614(3) 0.8364(3) -0.5425(3) 0.0414(10) Uani 1 1 d . . .
C1 C 0.5428(4) 0.8563(5) -0.3699(4) 0.0483(14) Uani 1 1 d . . .
C2 C 0.5561(5) 0.7985(5) -0.3229(4) 0.0498(14) Uani 1 1 d . . .
C3 C 0.5715(5) 0.7336(5) -0.2619(4) 0.0477(14) Uani 1 1 d . . .
C4 C 0.5532(5) 0.6234(5) -0.3098(4) 0.0548(15) Uani 1 1 d . . .
H4A H 0.5290 0.5903 -0.3830 0.066 Uiso 1 1 calc R . .
C5 C 0.5703(5) 0.5625(5) -0.2511(4) 0.0504(14) Uani 1 1 d . . .
C6 C 0.6059(5) 0.6107(5) -0.1416(4) 0.0507(15) Uani 1 1 d . . .
C7 C 0.6217(5) 0.7201(5) -0.0932(4) 0.0578(16) Uani 1 1 d . . .
H7A H 0.6444 0.7524 -0.0201 0.069 Uiso 1 1 calc R . .
C8 C 0.6044(5) 0.7807(5) -0.1514(4) 0.0559(15) Uani 1 1 d . . .
C9 C 0.5157(6) 0.3987(5) -0.4007(5) 0.084(2) Uani 1 1 d . . .
H9A H 0.5067 0.3235 -0.4175 0.127 Uiso 1 1 calc R . .
H9B H 0.5715 0.4341 -0.4262 0.127 Uiso 1 1 calc R . .
H9C H 0.4421 0.4001 -0.4338 0.127 Uiso 1 1 calc R . .
C10 C 0.6299(8) 0.9317(6) -0.0036(5) 0.103(3) Uani 1 1 d . . .
H10A H 0.6187 0.9993 0.0114 0.155 Uiso 1 1 calc R . .
H10B H 0.7068 0.9464 0.0407 0.155 Uiso 1 1 calc R . .
H10C H 0.5734 0.8801 0.0098 0.155 Uiso 1 1 calc R . .
C11 C 0.6241(5) 0.5465(5) -0.0804(4) 0.0564(16) Uani 1 1 d . . .
C12 C 0.6383(5) 0.4953(5) -0.0294(5) 0.0613(17) Uani 1 1 d . . .
C13 C 0.6581(5) 0.4293(5) 0.0299(4) 0.0537(15) Uani 1 1 d . . .
C14 C 0.6750(6) 0.3355(6) -0.0136(5) 0.076(2) Uani 1 1 d . . .
H14A H 0.6714 0.3131 -0.0830 0.091 Uiso 1 1 calc R . .
C15 C 0.6970(6) 0.2745(6) 0.0432(5) 0.080(2) Uani 1 1 d . . .
H15A H 0.7080 0.2112 0.0124 0.096 Uiso 1 1 calc R . .
C16 C 0.7027(5) 0.3072(6) 0.1456(5) 0.0625(18) Uani 1 1 d . . .
C17 C 0.6862(6) 0.3996(6) 0.1895(5) 0.0686(18) Uani 1 1 d . . .
H17A H 0.6904 0.4221 0.2591 0.082 Uiso 1 1 calc R . .
C18 C 0.6632(5) 0.4606(5) 0.1320(5) 0.0650(17) Uani 1 1 d . . .
H18A H 0.6511 0.5233 0.1628 0.078 Uiso 1 1 calc R . .
C19 C 0.8911(7) 0.3000(8) 0.2813(7) 0.125(3) Uani 1 1 d . . .
H19A H 0.9229 0.2800 0.2274 0.150 Uiso 1 1 calc R . .
H19B H 0.9142 0.3793 0.3079 0.150 Uiso 1 1 calc R . .
C20 C 0.9401(7) 0.2706(8) 0.3680(7) 0.119(3) Uani 1 1 d . . .
H20A H 0.9122 0.1907 0.3413 0.143 Uiso 1 1 calc R . .
H20B H 0.9095 0.2933 0.4222 0.143 Uiso 1 1 calc R . .
C21 C 1.1559(10) 0.2583(12) 0.3383(8) 0.199(6) Uani 1 1 d . . .
H21A H 1.1578 0.2887 0.2858 0.299 Uiso 1 1 calc R . .
H21B H 1.1071 0.1807 0.3041 0.299 Uiso 1 1 calc R . .
H21C H 1.2334 0.2692 0.3776 0.299 Uiso 1 1 calc R . .
C22 C 1.1667(11) 0.4734(9) 0.4632(10) 0.221(7) Uani 1 1 d . . .
H22A H 1.1910 0.4846 0.4075 0.331 Uiso 1 1 calc R . .
H22B H 1.2335 0.5061 0.5279 0.331 Uiso 1 1 calc R . .
H22C H 1.1132 0.5071 0.4722 0.331 Uiso 1 1 calc R . .
C23 C 1.1303(9) 0.2993(9) 0.5518(7) 0.147(4) Uani 1 1 d . . .
H23A H 1.1059 0.3412 0.6016 0.221 Uiso 1 1 calc R . .
H23B H 1.2126 0.3199 0.5829 0.221 Uiso 1 1 calc R . .
H23C H 1.0895 0.2220 0.5336 0.221 Uiso 1 1 calc R . .
C24 C 0.3713(4) 1.0642(4) -0.3938(4) 0.0417(13) Uani 1 1 d . . .
C25 C 0.2959(6) 1.0993(5) -0.3386(5) 0.0549(15) Uani 1 1 d . . .
C26 C 0.1844(6) 1.0284(6) -0.3652(6) 0.086(2) Uani 1 1 d . . .
H26A H 0.1532 0.9596 -0.4209 0.103 Uiso 1 1 calc R . .
C27 C 0.1165(10) 1.0580(11) -0.3095(11) 0.147(5) Uani 1 1 d . . .
H27A H 0.0416 1.0082 -0.3257 0.176 Uiso 1 1 calc R . .
C28 C 0.1595(16) 1.1560(14) -0.2349(13) 0.171(8) Uani 1 1 d . . .
H28A H 0.1123 1.1756 -0.2003 0.205 Uiso 1 1 calc R . .
C29 C 0.2710(13) 1.2326(10) -0.2042(7) 0.142(5) Uani 1 1 d . . .
H29A H 0.2996 1.3013 -0.1489 0.171 Uiso 1 1 calc R . .
C30 C 0.3404(8) 1.2030(6) -0.2596(5) 0.084(2) Uani 1 1 d . . .
H30A H 0.4154 1.2530 -0.2428 0.101 Uiso 1 1 calc R . .
C31 C 0.4426(6) 1.0146(5) -0.2475(4) 0.0628(17) Uani 1 1 d . . .
H31A H 0.3654 0.9862 -0.2475 0.094 Uiso 1 1 calc R . .
H31B H 0.4861 1.0878 -0.1933 0.094 Uiso 1 1 calc R . .
H31C H 0.4807 0.9676 -0.2342 0.094 Uiso 1 1 calc R . .
C32 C 0.7006(4) 1.1733(4) -0.3621(4) 0.0411(13) Uani 1 1 d . . .
C33 C 0.8066(5) 1.2752(5) -0.2885(4) 0.0504(14) Uani 1 1 d . . .
C34 C 0.7925(6) 1.3661(6) -0.2338(5) 0.0687(18) Uani 1 1 d . . .
H34A H 0.7180 1.3640 -0.2445 0.082 Uiso 1 1 calc R . .
C35 C 0.8887(9) 1.4614(6) -0.1624(6) 0.102(3) Uani 1 1 d . . .
H35A H 0.8782 1.5223 -0.1241 0.122 Uiso 1 1 calc R . .
C36 C 0.9977(9) 1.4667(8) -0.1478(7) 0.113(3) Uani 1 1 d . . .
H36A H 1.0617 1.5310 -0.0995 0.136 Uiso 1 1 calc R . .
C37 C 1.0135(7) 1.3778(9) -0.2040(7) 0.106(3) Uani 1 1 d . . .
H37A H 1.0883 1.3816 -0.1955 0.127 Uiso 1 1 calc R . .
C38 C 0.9182(6) 1.2823(6) -0.2732(5) 0.077(2) Uani 1 1 d . . .
H38A H 0.9292 1.2213 -0.3105 0.093 Uiso 1 1 calc R . .
C39 C 0.7293(5) 1.1046(5) -0.2236(4) 0.0699(19) Uani 1 1 d . . .
H39A H 0.7536 1.1794 -0.1754 0.105 Uiso 1 1 calc R . .
H39B H 0.7964 1.0882 -0.2217 0.105 Uiso 1 1 calc R . .
H39C H 0.6788 1.0552 -0.2033 0.105 Uiso 1 1 calc R . .
C40 C 0.7179(5) 0.8926(5) -0.4658(5) 0.0660(18) Uani 1 1 d . . .
H40A H 0.7233 0.8327 -0.5162 0.099 Uiso 1 1 calc R . .
H40B H 0.7000 0.8712 -0.4116 0.099 Uiso 1 1 calc R . .
H40C H 0.7909 0.9558 -0.4345 0.099 Uiso 1 1 calc R . .
C41 C 0.3016(5) 0.7562(5) -0.5038(5) 0.0613(17) Uani 1 1 d . . .
H41A H 0.2191 0.7356 -0.5330 0.092 Uiso 1 1 calc R . .
H41B H 0.3290 0.7893 -0.4280 0.092 Uiso 1 1 calc R . .
H41C H 0.3179 0.6917 -0.5254 0.092 Uiso 1 1 calc R . .
O1 O 0.5541(4) 0.4541(3) -0.2920(3) 0.0787(14) Uani 1 1 d . . .
O2 O 0.6163(4) 0.8871(3) -0.1102(3) 0.0809(14) Uani 1 1 d . . .
C42 C 1.0262(13) 0.2244(12) 0.0141(12) 0.200 Uiso 0.827(9) 1 d PD . .
H42A H 0.9712 0.2579 0.0126 0.300 Uiso 0.827(9) 1 calc PR . .
H42B H 1.0509 0.2229 -0.0442 0.300 Uiso 0.827(9) 1 calc PR . .
H42C H 1.0924 0.2665 0.0794 0.300 Uiso 0.827(9) 1 calc PR . .
C43 C 0.9705(14) 0.1099(13) 0.0055(13) 0.200 Uiso 0.827(9) 1 d PD . .
H43A H 0.9433 0.1116 0.0632 0.240 Uiso 0.827(9) 1 calc PR . .
H43B H 0.9035 0.0678 -0.0604 0.240 Uiso 0.827(9) 1 calc PR . .
C44 C 1.0448(14) 0.0597(11) 0.0086(13) 0.200 Uiso 0.827(9) 1 d PD . .
H44A H 1.1094 0.0946 0.0763 0.240 Uiso 0.827(9) 1 calc PR . .
H44B H 1.0741 0.0558 -0.0480 0.240 Uiso 0.827(9) 1 calc PR . .

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
Ru 0.0488(3) 0.0424(3) 0.0355(2) 0.0243(2) 0.01674(19) 0.0212(2)
Si 0.0899(17) 0.119(2) 0.125(2) 0.0612(17) 0.0447(15) 0.0436(16)
S 0.1108(16) 0.1053(17) 0.1065(16) 0.0854(14) 0.0276(13) 0.0428(14)
N1 0.062(3) 0.049(3) 0.032(2) 0.021(2) 0.024(2) 0.029(2)
N2 0.054(3) 0.041(3) 0.039(2) 0.020(2) 0.017(2) 0.014(2)
N3 0.054(3) 0.052(3) 0.042(3) 0.028(2) 0.022(2) 0.027(2)
N4 0.046(3) 0.041(3) 0.043(3) 0.026(2) 0.018(2) 0.014(2)
C1 0.048(3) 0.063(4) 0.050(3) 0.037(3) 0.024(3) 0.026(3)
C2 0.056(4) 0.065(4) 0.047(3) 0.034(3) 0.024(3) 0.033(3)
C3 0.058(4) 0.050(4) 0.049(3) 0.033(3) 0.022(3) 0.025(3)
C4 0.078(4) 0.062(4) 0.039(3) 0.030(3) 0.024(3) 0.035(4)
C5 0.072(4) 0.045(4) 0.042(3) 0.024(3) 0.019(3) 0.028(3)
C6 0.065(4) 0.054(4) 0.041(3) 0.031(3) 0.016(3) 0.025(3)
C7 0.083(4) 0.058(4) 0.039(3) 0.028(3) 0.021(3) 0.030(4)
C8 0.080(4) 0.050(4) 0.046(3) 0.025(3) 0.024(3) 0.030(3)
C9 0.125(6) 0.071(5) 0.054(4) 0.019(4) 0.022(4) 0.050(5)
C10 0.173(8) 0.074(6) 0.068(5) 0.018(4) 0.045(5) 0.066(6)
C11 0.078(4) 0.052(4) 0.044(3) 0.026(3) 0.020(3) 0.029(3)
C12 0.080(5) 0.061(4) 0.055(4) 0.036(4) 0.023(3) 0.034(4)
C13 0.063(4) 0.052(4) 0.045(3) 0.031(3) 0.010(3) 0.017(3)
C14 0.117(6) 0.076(5) 0.055(4) 0.044(4) 0.033(4) 0.046(5)
C15 0.127(6) 0.073(5) 0.076(5) 0.051(4) 0.042(4) 0.060(5)
C16 0.055(4) 0.062(5) 0.066(4) 0.045(4) 0.009(3) 0.011(3)
C17 0.084(5) 0.081(5) 0.052(4) 0.040(4) 0.028(4) 0.031(4)
C18 0.083(5) 0.067(5) 0.060(4) 0.043(4) 0.026(3) 0.035(4)
C19 0.141(8) 0.186(9) 0.144(8) 0.134(8) 0.073(7) 0.105(8)
C20 0.128(8) 0.145(8) 0.116(7) 0.078(6) 0.046(6) 0.070(7)
C21 0.199(11) 0.400(19) 0.139(9) 0.163(11) 0.113(9) 0.206(13)
C22 0.209(13) 0.157(11) 0.225(14) 0.125(11) 0.001(11) 0.001(10)
C23 0.189(10) 0.173(10) 0.134(8) 0.091(8) 0.083(8) 0.096(9)
C24 0.053(3) 0.040(3) 0.043(3) 0.023(3) 0.022(3) 0.023(3)
C25 0.085(5) 0.055(4) 0.056(4) 0.034(3) 0.040(3) 0.046(4)
C26 0.094(6) 0.090(6) 0.125(6) 0.061(5) 0.078(5) 0.054(5)
C27 0.163(10) 0.196(13) 0.237(14) 0.154(12) 0.163(11) 0.132(10)
C28 0.31(2) 0.230(19) 0.207(16) 0.170(16) 0.208(17) 0.234(18)
C29 0.325(17) 0.137(10) 0.073(6) 0.065(7) 0.108(10) 0.182(12)
C30 0.156(7) 0.071(5) 0.064(4) 0.036(4) 0.054(5) 0.076(5)
C31 0.099(5) 0.070(4) 0.048(3) 0.037(3) 0.040(3) 0.048(4)
C32 0.044(3) 0.032(3) 0.048(3) 0.018(3) 0.020(3) 0.013(3)
C33 0.051(4) 0.047(4) 0.049(3) 0.025(3) 0.014(3) 0.013(3)
C34 0.071(4) 0.057(5) 0.069(4) 0.024(4) 0.022(4) 0.019(4)
C35 0.126(8) 0.050(5) 0.089(6) 0.012(4) 0.025(6) 0.011(5)
C36 0.092(7) 0.079(7) 0.093(7) 0.022(5) -0.010(5) -0.015(6)
C37 0.048(5) 0.116(8) 0.118(7) 0.051(6) 0.005(5) 0.005(5)
C38 0.052(4) 0.075(5) 0.089(5) 0.024(4) 0.018(4) 0.019(4)
C39 0.081(5) 0.067(5) 0.045(4) 0.031(3) 0.006(3) 0.015(4)
C40 0.072(4) 0.097(5) 0.070(4) 0.052(4) 0.038(3) 0.057(4)
C41 0.066(4) 0.060(4) 0.063(4) 0.038(3) 0.027(3) 0.016(3)
O1 0.143(4) 0.059(3) 0.048(2) 0.029(2) 0.029(3) 0.057(3)
O2 0.148(4) 0.052(3) 0.055(3) 0.024(2) 0.036(3) 0.054(3)

_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 C1 1.968(5) . ?
Ru N2 1.977(4) . ?
Ru N1 1.996(4) . ?
Ru N4 2.101(4) . ?
Ru N3 2.103(4) . ?
Ru Ru 2.4626(8) 2_674 ?
Si C22 1.790(11) . ?
Si C20 1.803(8) . ?
Si C21 1.854(10) . ?
Si C23 1.875(9) . ?
S C16 1.768(6) . ?
S C19 1.832(9) . ?
N1 C24 1.333(6) . ?
N1 C31 1.465(6) . ?
N2 C32 1.334(6) . ?
N2 C39 1.464(6) . ?
N3 C24 1.317(6) 2_674 ?
N3 C40 1.475(6) . ?
N4 C32 1.338(6) 2_674 ?
N4 C41 1.481(6) . ?
C1 C2 1.207(7) . ?
C2 C3 1.440(7) . ?
C3 C4 1.394(7) . ?
C3 C8 1.407(7) . ?
C4 C5 1.374(7) . ?
C5 O1 1.369(6) . ?
C5 C6 1.390(7) . ?
C6 C7 1.394(8) . ?
C6 C11 1.442(7) . ?
C7 C8 1.365(7) . ?
C8 O2 1.360(6) . ?
C9 O1 1.386(6) . ?
C10 O2 1.403(7) . ?
C11 C12 1.172(7) . ?
C12 C13 1.449(8) . ?
C13 C18 1.368(7) . ?
C13 C14 1.373(8) . ?
C14 C15 1.370(8) . ?
C15 C16 1.370(8) . ?
C16 C17 1.355(9) . ?
C17 C18 1.380(8) . ?
C19 C20 1.466(9) . ?
C24 N3 1.317(6) 2_674 ?
C24 C25 1.505(7) . ?
C25 C26 1.361(8) . ?
C25 C30 1.375(8) . ?
C26 C27 1.398(10) . ?
C27 C28 1.298(17) . ?
C28 C29 1.377(17) . ?
C29 C30 1.412(12) . ?
C32 N4 1.338(6) 2_674 ?
C32 C33 1.491(7) . ?
C33 C34 1.364(8) . ?
C33 C38 1.377(8) . ?
C34 C35 1.386(9) . ?
C35 C36 1.352(11) . ?
C36 C37 1.364(12) . ?
C37 C38 1.375(9) . ?
C42 C43 1.484(13) . ?
C43 C44 1.347(14) . ?
C44 C44 1.61(3) 2_755 ?

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 Ru N2 97.5(2) . . ?
C1 Ru N1 96.17(18) . . ?
N2 Ru N1 88.40(17) . . ?
C1 Ru N4 87.59(19) . . ?
N2 Ru N4 173.25(18) . . ?
N1 Ru N4 86.66(16) . . ?
C1 Ru N3 89.21(18) . . ?
N2 Ru N3 86.94(17) . . ?
N1 Ru N3 173.30(16) . . ?
N4 Ru N3 97.58(16) . . ?
C1 Ru Ru 161.38(17) . 2_674 ?
N2 Ru Ru 97.08(12) . 2_674 ?
N1 Ru Ru 95.73(11) . 2_674 ?
N4 Ru Ru 78.86(11) . 2_674 ?
N3 Ru Ru 80.09(11) . 2_674 ?
C22 Si C20 114.8(5) . . ?
C22 Si C21 107.0(6) . . ?
C20 Si C21 109.2(5) . . ?
C22 Si C23 110.0(5) . . ?
C20 Si C23 106.0(4) . . ?
C21 Si C23 109.7(5) . . ?
C16 S C19 99.9(3) . . ?
C24 N1 C31 120.5(4) . . ?
C24 N1 Ru 115.3(3) . . ?
C31 N1 Ru 124.2(3) . . ?
C32 N2 C39 119.8(4) . . ?
C32 N2 Ru 115.4(3) . . ?
C39 N2 Ru 124.6(3) . . ?
C24 N3 C40 116.4(4) 2_674 . ?
C24 N3 Ru 127.1(4) 2_674 . ?
C40 N3 Ru 115.3(3) . . ?
C32 N4 C41 115.3(4) 2_674 . ?
C32 N4 Ru 128.3(3) 2_674 . ?
C41 N4 Ru 115.9(3) . . ?
C2 C1 Ru 174.6(5) . . ?
C1 C2 C3 176.9(6) . . ?
C4 C3 C8 118.2(5) . . ?
C4 C3 C2 121.6(5) . . ?
C8 C3 C2 120.1(5) . . ?
C5 C4 C3 121.4(5) . . ?
O1 C5 C4 124.9(5) . . ?
O1 C5 C6 115.2(5) . . ?
C4 C5 C6 119.9(6) . . ?
C5 C6 C7 119.1(5) . . ?
C5 C6 C11 119.6(6) . . ?
C7 C6 C11 121.2(5) . . ?
C8 C7 C6 121.1(5) . . ?
O2 C8 C7 124.5(5) . . ?
O2 C8 C3 115.3(5) . . ?
C7 C8 C3 120.2(6) . . ?
C12 C11 C6 178.9(7) . . ?
C11 C12 C13 177.1(7) . . ?
C18 C13 C14 118.4(5) . . ?
C18 C13 C12 120.5(6) . . ?
C14 C13 C12 121.0(5) . . ?
C15 C14 C13 121.3(6) . . ?
C14 C15 C16 119.7(7) . . ?
C17 C16 C15 119.6(6) . . ?
C17 C16 S 119.5(5) . . ?
C15 C16 S 120.9(6) . . ?
C16 C17 C18 120.6(6) . . ?
C13 C18 C17 120.3(6) . . ?
C20 C19 S 112.4(6) . . ?
C19 C20 Si 116.6(6) . . ?
N3 C24 N1 121.2(5) 2_674 . ?
N3 C24 C25 121.7(5) 2_674 . ?
N1 C24 C25 117.1(4) . . ?
C26 C25 C30 119.8(6) . . ?
C26 C25 C24 120.4(6) . . ?
C30 C25 C24 119.8(6) . . ?
C25 C26 C27 120.6(9) . . ?
C28 C27 C26 119.1(12) . . ?
C27 C28 C29 123.6(13) . . ?
C28 C29 C30 117.6(11) . . ?
C25 C30 C29 119.3(9) . . ?
N2 C32 N4 119.7(5) . 2_674 ?
N2 C32 C33 119.0(5) . . ?
N4 C32 C33 121.4(4) 2_674 . ?
C34 C33 C38 118.3(6) . . ?
C34 C33 C32 118.5(5) . . ?
C38 C33 C32 123.2(6) . . ?
C33 C34 C35 120.3(7) . . ?
C36 C35 C34 120.6(8) . . ?
C35 C36 C37 119.9(8) . . ?
C36 C37 C38 119.5(8) . . ?
C37 C38 C33 121.2(7) . . ?
C5 O1 C9 119.1(4) . . ?
C8 O2 C10 117.4(5) . . ?
C44 C43 C42 111.8(14) . . ?
C43 C44 C44 97.9(15) . 2_755 ?

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
C1 Ru N1 C24 -158.1(4) . . . . ?
N2 Ru N1 C24 104.5(4) . . . . ?
N4 Ru N1 C24 -70.9(4) . . . . ?
N3 Ru N1 C24 58.6(16) . . . . ?
Ru Ru N1 C24 7.5(4) 2_674 . . . ?
C1 Ru N1 C31 24.2(4) . . . . ?
N2 Ru N1 C31 -73.2(4) . . . . ?
N4 Ru N1 C31 111.4(4) . . . . ?
N3 Ru N1 C31 -119.1(14) . . . . ?
Ru Ru N1 C31 -170.1(4) 2_674 . . . ?
C1 Ru N2 C32 163.7(4) . . . . ?
N1 Ru N2 C32 -100.3(4) . . . . ?
N4 Ru N2 C32 -57.4(15) . . . . ?
N3 Ru N2 C32 74.9(4) . . . . ?
Ru Ru N2 C32 -4.7(4) 2_674 . . . ?
C1 Ru N2 C39 -21.6(5) . . . . ?
N1 Ru N2 C39 74.5(5) . . . . ?
N4 Ru N2 C39 117.4(13) . . . . ?
N3 Ru N2 C39 -110.4(5) . . . . ?
Ru Ru N2 C39 170.0(4) 2_674 . . . ?
C1 Ru N3 C24 159.8(5) . . . 2_674 ?
N2 Ru N3 C24 -102.6(4) . . . 2_674 ?
N1 Ru N3 C24 -56.6(16) . . . 2_674 ?
N4 Ru N3 C24 72.4(4) . . . 2_674 ?
Ru Ru N3 C24 -4.8(4) 2_674 . . 2_674 ?
C1 Ru N3 C40 -32.9(4) . . . . ?
N2 Ru N3 C40 64.7(4) . . . . ?
N1 Ru N3 C40 110.7(14) . . . . ?
N4 Ru N3 C40 -120.3(4) . . . . ?
Ru Ru N3 C40 162.5(4) 2_674 . . . ?
C1 Ru N4 C32 -158.6(5) . . . 2_674 ?
N2 Ru N4 C32 62.1(15) . . . 2_674 ?
N1 Ru N4 C32 105.1(4) . . . 2_674 ?
N3 Ru N4 C32 -69.7(4) . . . 2_674 ?
Ru Ru N4 C32 8.6(4) 2_674 . . 2_674 ?
C1 Ru N4 C41 29.4(4) . . . . ?
N2 Ru N4 C41 -109.9(13) . . . . ?
N1 Ru N4 C41 -66.9(4) . . . . ?
N3 Ru N4 C41 118.3(4) . . . . ?
Ru Ru N4 C41 -163.4(4) 2_674 . . . ?
N2 Ru C1 C2 50(5) . . . . ?
N1 Ru C1 C2 -39(5) . . . . ?
N4 Ru C1 C2 -125(5) . . . . ?
N3 Ru C1 C2 137(5) . . . . ?
Ru Ru C1 C2 -168(5) 2_674 . . . ?
Ru C1 C2 C3 12(16) . . . . ?
C1 C2 C3 C4 161(11) . . . . ?
C1 C2 C3 C8 -18(12) . . . . ?
C8 C3 C4 C5 -2.1(9) . . . . ?
C2 C3 C4 C5 178.7(5) . . . . ?
C3 C4 C5 O1 179.9(6) . . . . ?
C3 C4 C5 C6 0.4(9) . . . . ?
O1 C5 C6 C7 -178.4(5) . . . . ?
C4 C5 C6 C7 1.1(9) . . . . ?
O1 C5 C6 C11 0.7(8) . . . . ?
C4 C5 C6 C11 -179.8(5) . . . . ?
C5 C6 C7 C8 -0.9(9) . . . . ?
C11 C6 C7 C8 -180.0(6) . . . . ?
C6 C7 C8 O2 178.9(6) . . . . ?
C6 C7 C8 C3 -0.9(9) . . . . ?
C4 C3 C8 O2 -177.5(5) . . . . ?
C2 C3 C8 O2 1.7(8) . . . . ?
C4 C3 C8 C7 2.4(9) . . . . ?
C2 C3 C8 C7 -178.5(5) . . . . ?
C5 C6 C11 C12 -147(40) . . . . ?
C7 C6 C11 C12 32(40) . . . . ?
C6 C11 C12 C13 -176(100) . . . . ?
C11 C12 C13 C18 162(14) . . . . ?
C11 C12 C13 C14 -17(15) . . . . ?
C18 C13 C14 C15 -0.3(10) . . . . ?
C12 C13 C14 C15 178.1(6) . . . . ?
C13 C14 C15 C16 -0.2(11) . . . . ?
C14 C15 C16 C17 0.2(10) . . . . ?
C14 C15 C16 S -179.6(5) . . . . ?
C19 S C16 C17 -89.5(6) . . . . ?
C19 S C16 C15 90.2(6) . . . . ?
C15 C16 C17 C18 0.3(10) . . . . ?
S C16 C17 C18 -179.9(5) . . . . ?
C14 C13 C18 C17 0.8(9) . . . . ?
C12 C13 C18 C17 -177.7(6) . . . . ?
C16 C17 C18 C13 -0.8(10) . . . . ?
C16 S C19 C20 167.1(7) . . . . ?
S C19 C20 Si 177.2(5) . . . . ?
C22 Si C20 C19 47.4(10) . . . . ?
C21 Si C20 C19 -72.7(9) . . . . ?
C23 Si C20 C19 169.1(8) . . . . ?
C31 N1 C24 N3 172.1(5) . . . 2_674 ?
Ru N1 C24 N3 -5.7(6) . . . 2_674 ?
C31 N1 C24 C25 -7.3(7) . . . . ?
Ru N1 C24 C25 175.0(4) . . . . ?
N3 C24 C25 C26 90.0(7) 2_674 . . . ?
N1 C24 C25 C26 -90.7(7) . . . . ?
N3 C24 C25 C30 -91.2(7) 2_674 . . . ?
N1 C24 C25 C30 88.1(6) . . . . ?
C30 C25 C26 C27 -3.0(10) . . . . ?
C24 C25 C26 C27 175.8(7) . . . . ?
C25 C26 C27 C28 2.9(15) . . . . ?
C26 C27 C28 C29 -2(2) . . . . ?
C27 C28 C29 C30 1.9(19) . . . . ?
C26 C25 C30 C29 2.5(9) . . . . ?
C24 C25 C30 C29 -176.2(6) . . . . ?
C28 C29 C30 C25 -1.9(13) . . . . ?
C39 N2 C32 N4 -175.4(5) . . . 2_674 ?
Ru N2 C32 N4 -0.4(6) . . . 2_674 ?
C39 N2 C32 C33 3.8(7) . . . . ?
Ru N2 C32 C33 178.8(4) . . . . ?
N2 C32 C33 C34 -101.5(6) . . . . ?
N4 C32 C33 C34 77.6(7) 2_674 . . . ?
N2 C32 C33 C38 78.6(7) . . . . ?
N4 C32 C33 C38 -102.2(7) 2_674 . . . ?
C38 C33 C34 C35 -2.0(9) . . . . ?
C32 C33 C34 C35 178.1(6) . . . . ?
C33 C34 C35 C36 1.7(11) . . . . ?
C34 C35 C36 C37 0.2(14) . . . . ?
C35 C36 C37 C38 -1.6(14) . . . . ?
C36 C37 C38 C33 1.2(12) . . . . ?
C34 C33 C38 C37 0.6(10) . . . . ?
C32 C33 C38 C37 -179.5(6) . . . . ?
C4 C5 O1 C9 -1.3(9) . . . . ?
C6 C5 O1 C9 178.3(6) . . . . ?
C7 C8 O2 C10 -10.1(10) . . . . ?
C3 C8 O2 C10 169.7(6) . . . . ?
C42 C43 C44 C44 -177.1(14) . . . 2_755 ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.086