data_global
#data_New_Global_Publ_Block

_audit_creation_method            
;
manual editing of the CIF file 
created by SHELXTL Ver. 6.10
and processed with modiCIfer-09152005. 
;

# 1. SUBMISSION DETAILS

_publ_contact_author_name
;
Guzei, Ilia A. 
;
_publ_contact_author_address
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;

_publ_contact_author_phone    '608-263-4694'
_publ_contact_author_fax      '608-262-0381'
_publ_contact_author_email    iguzei@chem.wisc.edu

_publ_contact_letter
;
Please consider this CIF submission 
for publication in  
;

_publ_requested_journal      
;
;
_publ_requested_category  FA 
# FA 'Full article' 
# FI 'Full submission - inorganic (Acta C)' 
# FO 'Full submission - organic (Acta C)' 
# FM 'Full submission - metal-organic (Acta C)' 
# CI 'CIF-access paper - inorganic (Acta C)' 
# CO 'CIF-access paper - organic (Acta C)' 
# CM 'CIF-access paper - metal-organic (Acta C)' 

# 2. TITLE AND AUTHOR LIST

_publ_section_title
;
;

loop_
_publ_author_name
_publ_author_address
'Guzei, Ilia A.'
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;
''
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;

_publ_section_synopsis
;
;

_publ_section_abstract
;
;

_publ_section_comment
;
;

_publ_section_references
;
Allen, F.H. (2002). <i>Acta Cryst.</i> <b>B58</b>, 380-388.

Bruker-AXS. (2003). <i>SADABS</i> (Version 2.05), <i>SAINT</i> 
(Version 6.22),
<i>SHELXTL</i> (Version 6.10), and <i>SMART</i> 
(Version 5.622). Bruker-AXS
Inc., Madison, WI, USA.

Bruno, I. J., Cole, J. C.,  Edgington, P. R.,  Kessler, M., 
 Macrae, C. F.,  McCabe, P.,  Pearson, J,  
&  Taylor, R. (2002). <i>Acta Cryst.</i> <b>B58</b>, 389-397.

Cremer D. & Pople J.A.  (1975). <i>J. Am. Chem. Soc.</i> 
<b>97</b>, 1358-1367.

Frisch, M. J., Trucks, G. W.,
Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman,
J. R., Montgomery, Jr., J. A., Vreven, T., Kudin, K. N., Burant,
J. C., Millam, J. M., Iyengar, S. S., Tomasi, J., Barone, V.,
Mennucci, B. <i>et al.</i> (2004). 
Gaussian 03, Revision C.02,
Gaussian, Inc., Wallingford, CT, USA.
;

_publ_section_acknowledgements
;
We thank the National Science Foundation for financial support. 

The manuscript was prepared with the beta test version 1.0.0. 
of program <i>publCIF</i> to be released by the IUCr and Ilia A. Guzei's
program <i>modiCIFer</i> to be released by University of Wisconsin-Madison.
;

_publ_section_figure_captions
;
Figure 1.  Molecular structure of (I).  The thermal ellipsoids are 
shown at 50% probability level.
;

_publ_section_exptl_prep
;
;


_publ_section_exptl_refinement
;
All H-atoms were placed in idealized locations and 
refined as riding with appropriate thermal displacement
coefficients U~iso~(H) = 1.2 or 1.5 times U~eq~(bearing atom). 
  
Default effective X-H distances for T = -173.0 C

AFIX m =   C1    C2    C3    C4   4[N]  3[N]  15[B]  8[O]   9   9[N]   16
d(X-H) =  1.00  0.99  0.98  0.95  0.88  0.91  1.12  0.84  0.95  0.88  0.95
;

#3. data 
data_casey62 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C15 H24 O4 Ru Si2' 
_chemical_formula_sum             'C15 H24 O4 Ru Si2' 
_chemical_formula_weight          425.59 
  
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' 
 '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' 
 'Ru'  'Ru'  -1.2594   0.8363 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    'P b c a     '
_symmetry_space_group_name_Hall   '-P 2ac 2ab  '
_symmetry_int_tables_number       61
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, -y, -z' 
 'x-1/2, y, -z-1/2' 
 'x, -y-1/2, z-1/2' 
 '-x-1/2, y-1/2, z' 
  
_cell_length_a                    11.8861(5) 
_cell_length_b                    15.2456(6) 
_cell_length_c                    21.6070(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      3915.4(3) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     100(2) 
_cell_measurement_reflns_used     27509
_cell_measurement_theta_min       2.3684
_cell_measurement_theta_max       26.4008
  
_exptl_crystal_description        block
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.43 
_exptl_crystal_size_mid           0.41 
_exptl_crystal_size_min           0.34 
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.444 
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1744 
_exptl_absorpt_coefficient_mu     0.935 
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2003)
;
_exptl_absorpt_correction_T_min   0.6892 
_exptl_absorpt_correction_T_max   0.7416 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       100(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            Mo-K\a
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker CCD-1000 area detector' 
_diffrn_measurement_method        '0.30\% \w scans'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          0 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             43015 
_diffrn_reflns_av_R_equivalents   0.0294 
_diffrn_reflns_av_sigmaI/netI     0.0129 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        19 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        27 
_diffrn_reflns_theta_min          2.37 
_diffrn_reflns_theta_max          26.40 
_reflns_number_total              4014 
_reflns_number_gt                 3779 
_reflns_threshold_expression      I>2\s(I) 
  
_computing_data_collection        'SMART Ver. 5.622 (Bruker-AXS, 2003)'
_computing_cell_refinement        'SAINT Ver. 6.22  (Bruker-AXS, 2003)'
_computing_data_reduction         'SAINT Ver. 6.22'
_computing_structure_solution     'SHELXTL Ver. 6.10 (Bruker-AXS, 2003)'
_computing_structure_refinement   'SHELXTL Ver. 6.10'
_computing_molecular_graphics     'SHELXTL Ver. 6.10'
_computing_publication_material   'SHELXTL Ver. 6.10' 
  
_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^)+(0.0249P)^2^+2.5726P] 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          4014 
_refine_ls_number_parameters      210 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0181 
_refine_ls_R_factor_gt            0.0167 
_refine_ls_wR_factor_ref          0.0461 
_refine_ls_wR_factor_gt           0.0450 
_refine_ls_goodness_of_fit_ref    1.004 
_refine_ls_restrained_S_all       1.004 
_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 0.039888(9) 0.019534(7) 0.882189(5) 0.01223(5) Uani 1 1 d . . . 
H1 H 0.0257(18) -0.0235(14) 0.9469(11) 0.050(7) Uiso 1 1 d . . . 
Si1 Si 0.27631(3) 0.11368(2) 0.967399(17) 0.01494(8) Uani 1 1 d . . . 
Si2 Si 0.07217(3) 0.07243(2) 0.716729(17) 0.01501(8) Uani 1 1 d . . . 
O1 O 0.16144(8) 0.19358(6) 0.82787(5) 0.0189(2) Uani 1 1 d . . . 
H1A H 0.2111 0.2217 0.8471 0.028 Uiso 1 1 calc R . . 
O2 O 0.20467(9) -0.17625(6) 0.86006(5) 0.0209(2) Uani 1 1 d . . . 
O3 O -0.10489(9) 0.16488(8) 0.93389(6) 0.0351(3) Uani 1 1 d . . . 
O4 O -0.15441(10) -0.09406(8) 0.84214(6) 0.0338(3) Uani 1 1 d . . . 
C1 C 0.17526(11) 0.10659(8) 0.83811(6) 0.0140(3) Uani 1 1 d . . . 
C2 C 0.21991(11) 0.06514(8) 0.89363(6) 0.0137(3) Uani 1 1 d . . . 
C3 C 0.21640(12) -0.02705(8) 0.87822(6) 0.0140(3) Uani 1 1 d . . . 
C4 C 0.25493(12) -0.11392(9) 0.90287(7) 0.0187(3) Uani 1 1 d . . . 
H4A H 0.3380 -0.1183 0.9025 0.022 Uiso 1 1 calc R . . 
H4B H 0.2274 -0.1235 0.9456 0.022 Uiso 1 1 calc R . . 
C5 C 0.17577(12) -0.13396(9) 0.80184(7) 0.0195(3) Uani 1 1 d . . . 
H5A H 0.1028 -0.1555 0.7858 0.023 Uiso 1 1 calc R . . 
H5B H 0.2347 -0.1439 0.7702 0.023 Uiso 1 1 calc R . . 
C6 C 0.16889(11) -0.03887(9) 0.81943(6) 0.0144(3) Uani 1 1 d . . . 
C7 C 0.14004(11) 0.04467(8) 0.79245(6) 0.0140(2) Uani 1 1 d . . . 
C8 C 0.17346(12) 0.19338(10) 1.00014(7) 0.0214(3) Uani 1 1 d . . . 
H8A H 0.2089 0.2262 1.0339 0.032 Uiso 1 1 calc R . . 
H8B H 0.1078 0.1616 1.0160 0.032 Uiso 1 1 calc R . . 
H8C H 0.1495 0.2342 0.9677 0.032 Uiso 1 1 calc R . . 
C9 C 0.41509(11) 0.16735(10) 0.95294(7) 0.0209(3) Uani 1 1 d . . . 
H9A H 0.4459 0.1891 0.9921 0.031 Uiso 1 1 calc R . . 
H9B H 0.4050 0.2165 0.9243 0.031 Uiso 1 1 calc R . . 
H9C H 0.4672 0.1246 0.9348 0.031 Uiso 1 1 calc R . . 
C10 C 0.29957(14) 0.02099(10) 1.02218(7) 0.0244(3) Uani 1 1 d . . . 
H10A H 0.3572 -0.0184 1.0054 0.037 Uiso 1 1 calc R . . 
H10B H 0.2291 -0.0114 1.0277 0.037 Uiso 1 1 calc R . . 
H10C H 0.3246 0.0441 1.0622 0.037 Uiso 1 1 calc R . . 
C11 C 0.17767(12) 0.12835(10) 0.66680(7) 0.0236(3) Uani 1 1 d . . . 
H11A H 0.1436 0.1423 0.6267 0.035 Uiso 1 1 calc R . . 
H11B H 0.2425 0.0896 0.6605 0.035 Uiso 1 1 calc R . . 
H11C H 0.2025 0.1826 0.6869 0.035 Uiso 1 1 calc R . . 
C12 C 0.02413(14) -0.03261(11) 0.68086(8) 0.0267(3) Uani 1 1 d . . . 
H12A H -0.0289 -0.0620 0.7087 0.040 Uiso 1 1 calc R . . 
H12B H 0.0892 -0.0708 0.6737 0.040 Uiso 1 1 calc R . . 
H12C H -0.0131 -0.0202 0.6414 0.040 Uiso 1 1 calc R . . 
C13 C -0.05030(12) 0.14604(11) 0.72982(7) 0.0262(3) Uani 1 1 d . . . 
H13A H -0.1113 0.1129 0.7494 0.039 Uiso 1 1 calc R . . 
H13B H -0.0763 0.1695 0.6901 0.039 Uiso 1 1 calc R . . 
H13C H -0.0279 0.1946 0.7569 0.039 Uiso 1 1 calc R . . 
C14 C -0.05238(11) 0.10918(10) 0.91364(7) 0.0211(3) Uani 1 1 d . . . 
C15 C -0.08235(12) -0.05007(10) 0.85860(7) 0.0206(3) Uani 1 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 0.01218(7) 0.01145(7) 0.01305(7) -0.00061(4) 0.00073(4) -0.00075(4) 
Si1 0.01429(17) 0.01671(18) 0.01382(17) -0.00063(14) -0.00127(13) -0.00091(14) 
Si2 0.01430(17) 0.01779(18) 0.01296(17) 0.00058(14) -0.00053(14) -0.00090(14) 
O1 0.0227(5) 0.0099(4) 0.0239(5) 0.0019(4) -0.0068(4) -0.0020(4) 
O2 0.0294(5) 0.0104(4) 0.0230(5) 0.0008(4) 0.0020(4) 0.0020(4) 
O3 0.0219(5) 0.0341(6) 0.0494(7) -0.0227(6) -0.0026(5) 0.0068(5) 
O4 0.0257(6) 0.0359(6) 0.0399(7) -0.0112(5) 0.0013(5) -0.0141(5) 
C1 0.0127(6) 0.0126(6) 0.0167(6) 0.0019(5) 0.0013(5) -0.0009(5) 
C2 0.0134(6) 0.0113(6) 0.0164(6) 0.0004(5) 0.0009(5) -0.0002(5) 
C3 0.0133(6) 0.0122(6) 0.0166(7) 0.0012(5) 0.0028(5) 0.0008(5) 
C4 0.0204(7) 0.0145(6) 0.0210(7) 0.0024(5) 0.0004(6) 0.0025(5) 
C5 0.0250(7) 0.0134(6) 0.0200(7) -0.0014(5) 0.0023(6) 0.0015(5) 
C6 0.0138(6) 0.0130(6) 0.0165(6) -0.0005(5) 0.0029(5) -0.0002(5) 
C7 0.0128(6) 0.0138(6) 0.0154(6) 0.0008(5) 0.0021(5) -0.0004(5) 
C8 0.0203(7) 0.0225(7) 0.0214(7) -0.0054(6) 0.0019(6) -0.0010(6) 
C9 0.0165(6) 0.0246(7) 0.0216(7) -0.0029(6) -0.0010(5) -0.0036(6) 
C10 0.0283(8) 0.0272(8) 0.0177(7) 0.0042(6) -0.0042(6) 0.0002(6) 
C11 0.0205(7) 0.0324(8) 0.0178(7) 0.0064(6) -0.0007(6) -0.0039(6) 
C12 0.0320(8) 0.0276(8) 0.0205(8) -0.0032(6) -0.0040(6) -0.0084(6) 
C13 0.0219(7) 0.0357(9) 0.0210(7) 0.0033(6) -0.0019(6) 0.0092(6) 
C14 0.0152(6) 0.0229(7) 0.0252(8) -0.0061(6) -0.0019(5) -0.0031(6) 
C15 0.0191(7) 0.0219(7) 0.0208(7) -0.0027(6) 0.0039(6) -0.0009(6) 
  
_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 C15 1.8700(15) . yes
Ru1 C14 1.8795(15) . yes
Ru1 C3 2.2167(14) . yes
Ru1 C6 2.2322(13) . yes
Ru1 C2 2.2634(13) . yes
Ru1 C1 2.2929(13) . yes
Ru1 C7 2.3073(13) . yes
Ru1 H1 1.55(2) . ? 
Si1 C8 1.8631(15) . ? 
Si1 C10 1.8638(15) . ? 
Si1 C9 1.8676(14) . ? 
Si1 C2 1.8809(14) . ? 
Si2 C13 1.8598(15) . ? 
Si2 C11 1.8609(15) . ? 
Si2 C12 1.8684(16) . ? 
Si2 C7 1.8726(14) . ? 
O1 C1 1.3545(16) . ? 
O1 H1A 0.8400 . ? 
O2 C5 1.4548(17) . ? 
O2 C4 1.4544(17) . ? 
O3 C14 1.1412(18) . ? 
O4 C15 1.1445(19) . ? 
C1 C7 1.4283(18) . ? 
C1 C2 1.4559(18) . ? 
C2 C3 1.4451(19) . ? 
C3 C6 1.4019(19) . ? 
C3 C4 1.4990(18) . ? 
C4 H4A 0.9900 . ? 
C4 H4B 0.9900 . ? 
C5 C6 1.5008(18) . ? 
C5 H5A 0.9900 . ? 
C5 H5B 0.9900 . ? 
C6 C7 1.4421(18) . ? 
C8 H8A 0.9800 . ? 
C8 H8B 0.9800 . ? 
C8 H8C 0.9800 . ? 
C9 H9A 0.9800 . ? 
C9 H9B 0.9800 . ? 
C9 H9C 0.9800 . ? 
C10 H10A 0.9800 . ? 
C10 H10B 0.9800 . ? 
C10 H10C 0.9800 . ? 
C11 H11A 0.9800 . ? 
C11 H11B 0.9800 . ? 
C11 H11C 0.9800 . ? 
C12 H12A 0.9800 . ? 
C12 H12B 0.9800 . ? 
C12 H12C 0.9800 . ? 
C13 H13A 0.9800 . ? 
C13 H13B 0.9800 . ? 
C13 H13C 0.9800 . ? 
  
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 
C15 Ru1 C14 93.31(6) . . yes
C15 Ru1 C3 122.89(6) . . yes
C14 Ru1 C3 143.06(5) . . yes
C15 Ru1 C6 98.15(6) . . yes
C14 Ru1 C6 155.58(6) . . yes
C3 Ru1 C6 36.73(5) . . yes
C15 Ru1 C2 159.82(6) . . yes
C14 Ru1 C2 106.78(5) . . yes
C3 Ru1 C2 37.62(5) . . yes
C6 Ru1 C2 62.58(5) . . yes
C15 Ru1 C1 139.51(6) . . yes
C14 Ru1 C1 97.97(6) . . yes
C3 Ru1 C1 60.35(5) . . yes
C6 Ru1 C1 59.77(5) . . yes
C2 Ru1 C1 37.26(5) . . yes
C15 Ru1 C7 105.43(5) . . yes
C14 Ru1 C7 118.96(6) . . yes
C3 Ru1 C7 62.12(5) . . yes
C6 Ru1 C7 37.00(5) . . yes
C2 Ru1 C7 63.45(5) . . yes
C1 Ru1 C7 36.18(5) . . yes
C15 Ru1 H1 85.5(8) . . ? 
C14 Ru1 H1 85.3(8) . . ? 
C3 Ru1 H1 90.1(8) . . ? 
C6 Ru1 H1 116.9(8) . . ? 
C2 Ru1 H1 97.7(8) . . ? 
C1 Ru1 H1 134.0(8) . . ? 
C7 Ru1 H1 151.9(8) . . ? 
C8 Si1 C10 110.53(7) . . ? 
C8 Si1 C9 110.93(7) . . ? 
C10 Si1 C9 107.90(7) . . ? 
C8 Si1 C2 110.15(6) . . ? 
C10 Si1 C2 107.02(6) . . ? 
C9 Si1 C2 110.20(6) . . ? 
C13 Si2 C11 109.82(7) . . ? 
C13 Si2 C12 109.94(8) . . ? 
C11 Si2 C12 110.99(7) . . ? 
C13 Si2 C7 109.92(6) . . ? 
C11 Si2 C7 108.65(6) . . ? 
C12 Si2 C7 107.48(7) . . ? 
C1 O1 H1A 109.5 . . ? 
C5 O2 C4 110.93(10) . . ? 
O1 C1 C7 119.91(12) . . ? 
O1 C1 C2 127.15(12) . . ? 
C7 C1 C2 112.90(11) . . ? 
O1 C1 Ru1 123.33(9) . . ? 
C7 C1 Ru1 72.46(7) . . ? 
C2 C1 Ru1 70.27(7) . . ? 
C3 C2 C1 102.82(11) . . ? 
C3 C2 Si1 126.02(10) . . ? 
C1 C2 Si1 131.10(10) . . ? 
C3 C2 Ru1 69.44(7) . . ? 
C1 C2 Ru1 72.47(7) . . ? 
Si1 C2 Ru1 123.39(6) . . ? 
C6 C3 C2 110.20(12) . . ? 
C6 C3 C4 109.36(12) . . ? 
C2 C3 C4 140.24(13) . . ? 
C6 C3 Ru1 72.24(8) . . ? 
C2 C3 Ru1 72.95(7) . . ? 
C4 C3 Ru1 123.95(9) . . ? 
O2 C4 C3 103.05(11) . . ? 
O2 C4 H4A 111.2 . . ? 
C3 C4 H4A 111.2 . . ? 
O2 C4 H4B 111.2 . . ? 
C3 C4 H4B 111.2 . . ? 
H4A C4 H4B 109.1 . . ? 
O2 C5 C6 102.82(11) . . ? 
O2 C5 H5A 111.2 . . ? 
C6 C5 H5A 111.2 . . ? 
O2 C5 H5B 111.2 . . ? 
C6 C5 H5B 111.2 . . ? 
H5A C5 H5B 109.1 . . ? 
C3 C6 C7 110.40(12) . . ? 
C3 C6 C5 109.37(12) . . ? 
C7 C6 C5 139.79(12) . . ? 
C3 C6 Ru1 71.03(8) . . ? 
C7 C6 Ru1 74.33(7) . . ? 
C5 C6 Ru1 125.21(9) . . ? 
C1 C7 C6 103.58(11) . . ? 
C1 C7 Si2 125.48(10) . . ? 
C6 C7 Si2 130.94(10) . . ? 
C1 C7 Ru1 71.36(7) . . ? 
C6 C7 Ru1 68.67(7) . . ? 
Si2 C7 Ru1 123.33(6) . . ? 
Si1 C8 H8A 109.5 . . ? 
Si1 C8 H8B 109.5 . . ? 
H8A C8 H8B 109.5 . . ? 
Si1 C8 H8C 109.5 . . ? 
H8A C8 H8C 109.5 . . ? 
H8B C8 H8C 109.5 . . ? 
Si1 C9 H9A 109.5 . . ? 
Si1 C9 H9B 109.5 . . ? 
H9A C9 H9B 109.5 . . ? 
Si1 C9 H9C 109.5 . . ? 
H9A C9 H9C 109.5 . . ? 
H9B C9 H9C 109.5 . . ? 
Si1 C10 H10A 109.5 . . ? 
Si1 C10 H10B 109.5 . . ? 
H10A C10 H10B 109.5 . . ? 
Si1 C10 H10C 109.5 . . ? 
H10A C10 H10C 109.5 . . ? 
H10B C10 H10C 109.5 . . ? 
Si2 C11 H11A 109.5 . . ? 
Si2 C11 H11B 109.5 . . ? 
H11A C11 H11B 109.5 . . ? 
Si2 C11 H11C 109.5 . . ? 
H11A C11 H11C 109.5 . . ? 
H11B C11 H11C 109.5 . . ? 
Si2 C12 H12A 109.5 . . ? 
Si2 C12 H12B 109.5 . . ? 
H12A C12 H12B 109.5 . . ? 
Si2 C12 H12C 109.5 . . ? 
H12A C12 H12C 109.5 . . ? 
H12B C12 H12C 109.5 . . ? 
Si2 C13 H13A 109.5 . . ? 
Si2 C13 H13B 109.5 . . ? 
H13A C13 H13B 109.5 . . ? 
Si2 C13 H13C 109.5 . . ? 
H13A C13 H13C 109.5 . . ? 
H13B C13 H13C 109.5 . . ? 
O3 C14 Ru1 177.37(13) . . ? 
O4 C15 Ru1 177.06(13) . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C15 Ru1 C1 O1 89.88(13) . . . . ? 
C14 Ru1 C1 O1 -14.83(12) . . . . ? 
C3 Ru1 C1 O1 -162.93(13) . . . . ? 
C6 Ru1 C1 O1 154.43(13) . . . . ? 
C2 Ru1 C1 O1 -122.14(14) . . . . ? 
C7 Ru1 C1 O1 114.71(14) . . . . ? 
C15 Ru1 C1 C7 -24.83(12) . . . . ? 
C14 Ru1 C1 C7 -129.54(8) . . . . ? 
C3 Ru1 C1 C7 82.36(8) . . . . ? 
C6 Ru1 C1 C7 39.72(7) . . . . ? 
C2 Ru1 C1 C7 123.15(11) . . . . ? 
C15 Ru1 C1 C2 -147.98(9) . . . . ? 
C14 Ru1 C1 C2 107.31(8) . . . . ? 
C3 Ru1 C1 C2 -40.79(7) . . . . ? 
C6 Ru1 C1 C2 -83.43(8) . . . . ? 
C7 Ru1 C1 C2 -123.15(11) . . . . ? 
O1 C1 C2 C3 -179.29(13) . . . . ? 
C7 C1 C2 C3 3.21(14) . . . . ? 
Ru1 C1 C2 C3 63.28(8) . . . . ? 
O1 C1 C2 Si1 -1.9(2) . . . . ? 
C7 C1 C2 Si1 -179.43(10) . . . . ? 
Ru1 C1 C2 Si1 -119.36(11) . . . . ? 
O1 C1 C2 Ru1 117.43(13) . . . . ? 
C7 C1 C2 Ru1 -60.07(10) . . . . ? 
C8 Si1 C2 C3 -131.22(12) . . . . ? 
C10 Si1 C2 C3 -11.02(13) . . . . ? 
C9 Si1 C2 C3 106.06(12) . . . . ? 
C8 Si1 C2 C1 51.96(14) . . . . ? 
C10 Si1 C2 C1 172.16(12) . . . . ? 
C9 Si1 C2 C1 -70.76(14) . . . . ? 
C8 Si1 C2 Ru1 -43.56(9) . . . . ? 
C10 Si1 C2 Ru1 76.64(9) . . . . ? 
C9 Si1 C2 Ru1 -166.28(7) . . . . ? 
C15 Ru1 C2 C3 -17.8(2) . . . . ? 
C14 Ru1 C2 C3 167.51(8) . . . . ? 
C6 Ru1 C2 C3 -36.30(7) . . . . ? 
C1 Ru1 C2 C3 -111.54(11) . . . . ? 
C7 Ru1 C2 C3 -78.00(8) . . . . ? 
C15 Ru1 C2 C1 93.71(17) . . . . ? 
C14 Ru1 C2 C1 -80.96(9) . . . . ? 
C3 Ru1 C2 C1 111.54(11) . . . . ? 
C6 Ru1 C2 C1 75.24(8) . . . . ? 
C7 Ru1 C2 C1 33.54(7) . . . . ? 
C15 Ru1 C2 Si1 -138.16(15) . . . . ? 
C14 Ru1 C2 Si1 47.17(9) . . . . ? 
C3 Ru1 C2 Si1 -120.33(12) . . . . ? 
C6 Ru1 C2 Si1 -156.63(9) . . . . ? 
C1 Ru1 C2 Si1 128.13(12) . . . . ? 
C7 Ru1 C2 Si1 161.67(9) . . . . ? 
C1 C2 C3 C6 -2.39(14) . . . . ? 
Si1 C2 C3 C6 -179.93(10) . . . . ? 
Ru1 C2 C3 C6 63.07(10) . . . . ? 
C1 C2 C3 C4 171.54(17) . . . . ? 
Si1 C2 C3 C4 -6.0(2) . . . . ? 
Ru1 C2 C3 C4 -123.00(19) . . . . ? 
C1 C2 C3 Ru1 -65.46(8) . . . . ? 
Si1 C2 C3 Ru1 117.00(10) . . . . ? 
C15 Ru1 C3 C6 54.25(10) . . . . ? 
C14 Ru1 C3 C6 -138.69(10) . . . . ? 
C2 Ru1 C3 C6 -118.53(11) . . . . ? 
C1 Ru1 C3 C6 -78.13(8) . . . . ? 
C7 Ru1 C3 C6 -36.69(7) . . . . ? 
C15 Ru1 C3 C2 172.78(8) . . . . ? 
C14 Ru1 C3 C2 -20.16(13) . . . . ? 
C6 Ru1 C3 C2 118.53(11) . . . . ? 
C1 Ru1 C3 C2 40.40(7) . . . . ? 
C7 Ru1 C3 C2 81.84(8) . . . . ? 
C15 Ru1 C3 C4 -47.51(13) . . . . ? 
C14 Ru1 C3 C4 119.55(13) . . . . ? 
C6 Ru1 C3 C4 -101.76(14) . . . . ? 
C2 Ru1 C3 C4 139.71(15) . . . . ? 
C1 Ru1 C3 C4 -179.89(13) . . . . ? 
C7 Ru1 C3 C4 -138.45(12) . . . . ? 
C5 O2 C4 C3 20.62(14) . . . . ? 
C6 C3 C4 O2 -11.53(14) . . . . ? 
C2 C3 C4 O2 174.51(16) . . . . ? 
Ru1 C3 C4 O2 69.65(13) . . . . ? 
C4 O2 C5 C6 -21.21(14) . . . . ? 
C2 C3 C6 C7 0.86(16) . . . . ? 
C4 C3 C6 C7 -175.03(11) . . . . ? 
Ru1 C3 C6 C7 64.37(9) . . . . ? 
C2 C3 C6 C5 174.79(11) . . . . ? 
C4 C3 C6 C5 -1.10(16) . . . . ? 
Ru1 C3 C6 C5 -121.70(10) . . . . ? 
C2 C3 C6 Ru1 -63.51(9) . . . . ? 
C4 C3 C6 Ru1 120.60(11) . . . . ? 
O2 C5 C6 C3 13.24(15) . . . . ? 
O2 C5 C6 C7 -175.59(15) . . . . ? 
O2 C5 C6 Ru1 -66.76(14) . . . . ? 
C15 Ru1 C6 C3 -136.50(8) . . . . ? 
C14 Ru1 C6 C3 106.33(14) . . . . ? 
C2 Ru1 C6 C3 37.17(8) . . . . ? 
C1 Ru1 C6 C3 79.82(8) . . . . ? 
C7 Ru1 C6 C3 118.63(11) . . . . ? 
C15 Ru1 C6 C7 104.87(8) . . . . ? 
C14 Ru1 C6 C7 -12.30(17) . . . . ? 
C3 Ru1 C6 C7 -118.63(11) . . . . ? 
C2 Ru1 C6 C7 -81.47(8) . . . . ? 
C1 Ru1 C6 C7 -38.81(7) . . . . ? 
C15 Ru1 C6 C5 -35.73(12) . . . . ? 
C14 Ru1 C6 C5 -152.91(13) . . . . ? 
C3 Ru1 C6 C5 100.76(14) . . . . ? 
C2 Ru1 C6 C5 137.93(13) . . . . ? 
C1 Ru1 C6 C5 -179.42(13) . . . . ? 
C7 Ru1 C6 C5 -140.60(15) . . . . ? 
O1 C1 C7 C6 179.57(11) . . . . ? 
C2 C1 C7 C6 -2.74(15) . . . . ? 
Ru1 C1 C7 C6 -61.55(8) . . . . ? 
O1 C1 C7 Si2 -0.74(18) . . . . ? 
C2 C1 C7 Si2 176.96(9) . . . . ? 
Ru1 C1 C7 Si2 118.15(10) . . . . ? 
O1 C1 C7 Ru1 -118.88(12) . . . . ? 
C2 C1 C7 Ru1 58.81(9) . . . . ? 
C3 C6 C7 C1 1.11(15) . . . . ? 
C5 C6 C7 C1 -170.00(16) . . . . ? 
Ru1 C6 C7 C1 63.43(9) . . . . ? 
C3 C6 C7 Si2 -178.57(10) . . . . ? 
C5 C6 C7 Si2 10.3(3) . . . . ? 
Ru1 C6 C7 Si2 -116.24(11) . . . . ? 
C3 C6 C7 Ru1 -62.32(9) . . . . ? 
C5 C6 C7 Ru1 126.57(18) . . . . ? 
C13 Si2 C7 C1 -51.91(13) . . . . ? 
C11 Si2 C7 C1 68.29(13) . . . . ? 
C12 Si2 C7 C1 -171.54(11) . . . . ? 
C13 Si2 C7 C6 127.70(13) . . . . ? 
C11 Si2 C7 C6 -112.10(13) . . . . ? 
C12 Si2 C7 C6 8.07(15) . . . . ? 
C13 Si2 C7 Ru1 38.04(10) . . . . ? 
C11 Si2 C7 Ru1 158.23(7) . . . . ? 
C12 Si2 C7 Ru1 -81.60(9) . . . . ? 
C15 Ru1 C7 C1 163.57(8) . . . . ? 
C14 Ru1 C7 C1 60.78(9) . . . . ? 
C3 Ru1 C7 C1 -77.01(8) . . . . ? 
C6 Ru1 C7 C1 -113.44(11) . . . . ? 
C2 Ru1 C7 C1 -34.52(7) . . . . ? 
C15 Ru1 C7 C6 -82.99(9) . . . . ? 
C14 Ru1 C7 C6 174.22(8) . . . . ? 
C3 Ru1 C7 C6 36.43(8) . . . . ? 
C2 Ru1 C7 C6 78.92(8) . . . . ? 
C1 Ru1 C7 C6 113.44(11) . . . . ? 
C15 Ru1 C7 Si2 42.81(9) . . . . ? 
C14 Ru1 C7 Si2 -59.97(9) . . . . ? 
C3 Ru1 C7 Si2 162.24(9) . . . . ? 
C6 Ru1 C7 Si2 125.81(12) . . . . ? 
C2 Ru1 C7 Si2 -155.27(9) . . . . ? 
C1 Ru1 C7 Si2 -120.75(11) . . . . ? 
  
loop_ 
 _geom_hbond_atom_site_label_D 
 _geom_hbond_atom_site_label_H 
 _geom_hbond_atom_site_label_A 
 _geom_hbond_distance_DH 
 _geom_hbond_distance_HA 
 _geom_hbond_distance_DA 
 _geom_hbond_angle_DHA 
 _geom_hbond_site_symmetry_A 
O1 H1A O2  0.84 1.87 2.6373(13) 151.0 8_665 
  
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              26.40 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.378 
_refine_diff_density_min   -0.245 
_refine_diff_density_rms    0.063 
 
# File processed with modiCIFer Dec. 16,2005. I.A.Guzei, UW-Madison.