#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/13/7011374.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7011374
loop_
_publ_author_name
'Michael I. Bruce'
'Natasha N. Zaitseva'
'Brian W. Skelton'
'Allan H. White'
_publ_section_title
;
 Some reactions of allenylidene-ruthenium cluster carbonyls with
 alkynes
;
_journal_issue                   8
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1678
_journal_page_last               1686
_journal_paper_doi               10.1039/b111088h
_journal_year                    2002
_chemical_formula_sum            'C34 H30 O10 Ru3 Si2'
_chemical_formula_weight         957.99
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             01-08-27
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 96.1710(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   12.1663(6)
_cell_length_b                   18.6509(9)
_cell_length_c                   16.5147(8)
_cell_measurement_reflns_used    6057
_cell_measurement_temperature    150
_cell_measurement_theta_max      21.0
_cell_measurement_theta_min      2.1
_cell_volume                     3725.7(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .11
_diffrn_reflns_av_sigmaI/netI    .105
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            78142
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.318
_exptl_absorpt_correction_T_max  .86
_exptl_absorpt_correction_T_min  .71
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_description       prism
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          .13
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .08
_refine_diff_density_max         .872
_refine_diff_density_min         -.879
_refine_ls_goodness_of_fit_all   .993
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     562
_refine_ls_number_reflns         6826
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .065
_refine_ls_R_factor_gt           .033
_refine_ls_shift/su_max          .041
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .032
_refine_ls_wR_factor_ref         .029
_reflns_d_resolution_high        .733
_reflns_d_resolution_low         12.294
_reflns_Friedel_coverage         0
_reflns_limit_h_max              16
_reflns_limit_h_min              0
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -22
_reflns_number_gt                6826
_reflns_number_total             9909
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b111088h.txt
_cod_data_source_block           br781
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               7011374
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 .46252(2) .193184(16) .148919(18) .01895(15) Uani ? ? 1.00000 ? ?
Ru2 .38134(2) .218481(16) -.009794(18) .01911(15) Uani ? ? 1.00000 ? ?
Ru3 .25373(2) .092479(16) .03909(2) .02078(15) Uani ? ? 1.00000 ? ?
O0 .4048(3) .08866(18) .1138(2) .0258(17) Uani ? ? 1.00000 ? ?
C11 .6126(3) .1564(2) .1441(2) .026(2) Uani ? ? 1.00000 ? ?
O11 .6990(2) .13560(16) .14009(19) .0419(18) Uani ? ? 1.00000 ? ?
C12 .4569(3) .1848(2) .2641(3) .030(2) Uani ? ? 1.00000 ? ?
O12 .4536(3) .18685(19) .33242(18) .056(2) Uani ? ? 1.00000 ? ?
C13 .5104(3) .2875(2) .1655(2) .024(2) Uani ? ? 1.00000 ? ?
O13 .5386(2) .34576(15) .17683(17) .0333(16) Uani ? ? 1.00000 ? ?
C21 .4940(3) .1517(2) -.0341(2) .026(2) Uani ? ? 1.00000 ? ?
O21 .5667(2) .11547(15) -.04559(17) .0350(16) Uani ? ? 1.00000 ? ?
C22 .4752(3) .2979(2) -.0200(2) .024(2) Uani ? ? 1.00000 ? ?
O22 .5319(2) .34575(14) -.02686(17) .0336(16) Uani ? ? 1.00000 ? ?
C23 .2904(3) .2275(2) -.1131(3) .029(2) Uani ? ? 1.00000 ? ?
O23 .2380(3) .23257(16) -.17429(18) .0451(19) Uani ? ? 1.00000 ? ?
C31 .3222(3) .0586(2) -.0533(3) .033(2) Uani ? ? 1.00000 ? ?
O31 .3526(3) .03225(16) -.1087(2) .050(2) Uani ? ? 1.00000 ? ?
C32 .1259(3) .1097(2) -.0335(2) .025(2) Uani ? ? 1.00000 ? ?
O32 .0515(2) .12032(15) -.07997(17) .0362(17) Uani ? ? 1.00000 ? ?
C33 .2056(3) -.0017(2) .0676(2) .026(2) Uani ? ? 1.00000 ? ?
O33 .1776(2) -.05808(15) .07914(18) .0363(17) Uani ? ? 1.00000 ? ?
C1 .2621(3) .36024(18) .0624(2) .0177(17) Uani ? ? 1.00000 ? ?
C111 .2682(3) .40821(19) -.0100(2) .0201(18) Uani ? ? 1.00000 ? ?
C112 .3379(3) .4668(2) -.0077(3) .024(2) Uani ? ? 1.00000 ? ?
C113 .3453(4) .5076(2) -.0763(3) .031(2) Uani ? ? 1.00000 ? ?
C114 .2824(4) .4918(2) -.1485(3) .033(2) Uani ? ? 1.00000 ? ?
C115 .2110(4) .4347(2) -.1513(3) .034(2) Uani ? ? 1.00000 ? ?
C116 .2031(3) .3929(2) -.0820(2) .026(2) Uani ? ? 1.00000 ? ?
C121 .2078(3) .38865(18) .1332(2) .0202(18) Uani ? ? 1.00000 ? ?
C122 .1382(3) .4477(2) .1235(3) .025(2) Uani ? ? 1.00000 ? ?
C123 .0776(3) .4707(2) .1858(3) .032(2) Uani ? ? 1.00000 ? ?
C124 .0866(4) .4343(2) .2587(3) .032(2) Uani ? ? 1.00000 ? ?
C125 .1590(4) .3774(2) .2707(3) .029(2) Uani ? ? 1.00000 ? ?
C126 .2191(3) .3547(2) .2090(2) .024(2) Uani ? ? 1.00000 ? ?
C2 .2967(3) .29267(18) .0619(2) .0187(18) Uani ? ? 1.00000 ? ?
C3 .3044(3) .22962(18) .1074(2) .0176(17) Uani ? ? 1.00000 ? ?
C4 .2002(3) .19068(19) .1125(2) .0199(18) Uani ? ? 1.00000 ? ?
C5 .1904(3) .1282(2) .1589(2) .0204(19) Uani ? ? 1.00000 ? ?
Si5 .05921(8) .09586(6) .19927(7) .0248(5) Uani ? ? 1.00000 ? ?
C501 .0975(5) .0172(3) .2646(4) .045(3) Uani ? ? 1.00000 ? ?
C502 .0122(4) .1693(3) .2633(3) .037(3) Uani ? ? 1.00000 ? ?
C503 -.0490(4) .0700(3) .1174(3) .032(2) Uani ? ? 1.00000 ? ?
C6 .0997(3) .22595(18) .0796(2) .0188(18) Uani ? ? 1.00000 ? ?
C7 .0138(3) .25645(18) .0585(2) .0215(19) Uani ? ? 1.00000 ? ?
Si7 -.12243(8) .30072(6) .03858(7) .0235(5) Uani ? ? 1.00000 ? ?
C701 -.1789(4) .3098(3) .1383(3) .039(3) Uani ? ? 1.00000 ? ?
C702 -.2105(4) .2425(3) -.0317(4) .037(3) Uani ? ? 1.00000 ? ?
C703 -.1076(4) .3914(2) -.0049(3) .034(3) Uani ? ? 1.00000 ? ?
H0 .402(4) .067(2) .136(3) .009(14) Uiso ? ? 1.00000 ? ?
H112 .381(3) .4760(17) .034(2) .014(10) Uiso ? ? 1.00000 ? ?
H113 .386(3) .542(2) -.071(2) .025(12) Uiso ? ? 1.00000 ? ?
H114 .283(3) .5203(19) -.189(2) .022(10) Uiso ? ? 1.00000 ? ?
H115 .165(3) .4233(18) -.199(2) .025(10) Uiso ? ? 1.00000 ? ?
H116 .153(3) .3540(18) -.085(2) .017(9) Uiso ? ? 1.00000 ? ?
H122 .129(3) .4713(19) .081(2) .022(11) Uiso ? ? 1.00000 ? ?
H123 .035(3) .5098(18) .182(2) .016(10) Uiso ? ? 1.00000 ? ?
H124 .051(3) .451(2) .295(3) .043(14) Uiso ? ? 1.00000 ? ?
H125 .169(3) .355(2) .315(2) .028(12) Uiso ? ? 1.00000 ? ?
H126 .272(3) .315(2) .223(2) .038(12) Uiso ? ? 1.00000 ? ?
H5 .253(3) .1137(17) .190(2) .012(9) Uiso ? ? 1.00000 ? ?
H501a .036(4) .002(2) .289(3) .049(14) Uiso ? ? 1.00000 ? ?
H501b .154(4) .027(2) .305(3) .065(18) Uiso ? ? 1.00000 ? ?
H501c .113(4) -.020(2) .236(3) .051(17) Uiso ? ? 1.00000 ? ?
H502a -.048(4) .159(2) .285(3) .054(15) Uiso ? ? 1.00000 ? ?
H502b -.005(4) .212(2) .233(3) .057(15) Uiso ? ? 1.00000 ? ?
H502c .071(4) .175(2) .304(3) .054(15) Uiso ? ? 1.00000 ? ?
H503a -.110(4) .049(2) .144(3) .056(14) Uiso ? ? 1.00000 ? ?
H503b -.029(3) .031(2) .085(3) .047(13) Uiso ? ? 1.00000 ? ?
H503c -.073(3) .106(2) .085(2) .021(11) Uiso ? ? 1.00000 ? ?
H701a -.246(4) .335(2) .131(3) .062(16) Uiso ? ? 1.00000 ? ?
H701b -.125(4) .336(2) .175(3) .058(16) Uiso ? ? 1.00000 ? ?
H701c -.186(3) .265(2) .161(3) .047(14) Uiso ? ? 1.00000 ? ?
H702a -.274(4) .260(2) -.050(2) .035(12) Uiso ? ? 1.00000 ? ?
H702b -.224(3) .194(3) -.016(3) .052(14) Uiso ? ? 1.00000 ? ?
H702c -.175(5) .233(3) -.067(4) .09(2) Uiso ? ? 1.00000 ? ?
H703a -.175(4) .399(3) -.029(3) .072(18) Uiso ? ? 1.00000 ? ?
H703b -.053(4) .393(2) -.038(3) .058(16) Uiso ? ? 1.00000 ? ?
H703c -.083(4) .423(2) .036(3) .058(16) Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 136 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 120 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 40 .008 .006 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Ru ? 0 12 -1.42 .836 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Si ? 0 8 .072 .071 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ru2 Ru1 Ru3 . . . 55.293(10) ?
Ru2 Ru1 O0 . . . 79.79(9) ?
Ru2 Ru1 C11 . . . 105.23(11) ?
Ru2 Ru1 C12 . . . 156.26(12) ?
Ru2 Ru1 C13 . . . 93.04(11) ?
Ru2 Ru1 C3 . . . 53.48(10) ?
Ru3 Ru1 O0 . . . 33.85(8) ?
Ru3 Ru1 C11 . . . 114.71(11) ?
Ru3 Ru1 C12 . . . 111.66(12) ?
Ru3 Ru1 C13 . . . 141.24(11) ?
Ru3 Ru1 C3 . . . 54.04(9) ?
O0 Ru1 C11 . . . 87.15(14) ?
O0 Ru1 C12 . . . 98.63(15) ?
O0 Ru1 C13 . . . 172.67(15) ?
O0 Ru1 C3 . . . 86.74(12) ?
C11 Ru1 C12 . . . 98.32(16) ?
C11 Ru1 C13 . . . 93.33(15) ?
C11 Ru1 C3 . . . 158.61(15) ?
C12 Ru1 C13 . . . 88.54(17) ?
C12 Ru1 C3 . . . 102.86(15) ?
C13 Ru1 C3 . . . 90.21(14) ?
Ru1 Ru2 Ru3 . . . 75.491(11) ?
Ru1 Ru2 C21 . . . 84.08(11) ?
Ru1 Ru2 C22 . . . 93.50(11) ?
Ru1 Ru2 C23 . . . 165.85(13) ?
Ru1 Ru2 C2 . . . 74.30(9) ?
Ru1 Ru2 C3 . . . 48.18(8) ?
Ru3 Ru2 C21 . . . 87.12(12) ?
Ru3 Ru2 C22 . . . 168.98(11) ?
Ru3 Ru2 C23 . . . 92.43(12) ?
Ru3 Ru2 C2 . . . 93.68(9) ?
Ru3 Ru2 C3 . . . 64.01(9) ?
C21 Ru2 C22 . . . 92.17(16) ?
C21 Ru2 C23 . . . 102.93(16) ?
C21 Ru2 C2 . . . 157.39(14) ?
C21 Ru2 C3 . . . 127.65(14) ?
C22 Ru2 C23 . . . 98.44(16) ?
C22 Ru2 C2 . . . 82.78(15) ?
C22 Ru2 C3 . . . 108.41(14) ?
C23 Ru2 C2 . . . 99.61(15) ?
C23 Ru2 C3 . . . 119.93(15) ?
C2 Ru2 C3 . . . 36.84(12) ?
Ru1 Ru3 Ru2 . . . 49.216(8) ?
Ru1 Ru3 O0 . . . 34.40(9) ?
Ru1 Ru3 C31 . . . 103.59(12) ?
Ru1 Ru3 C32 . . . 137.74(11) ?
Ru1 Ru3 C33 . . . 125.82(11) ?
Ru1 Ru3 C4 . . . 62.38(8) ?
Ru1 Ru3 C5 . . . 71.97(9) ?
Ru2 Ru3 O0 . . . 74.76(9) ?
Ru2 Ru3 C31 . . . 76.14(12) ?
Ru2 Ru3 C32 . . . 96.42(12) ?
Ru2 Ru3 C33 . . . 165.44(11) ?
Ru2 Ru3 C4 . . . 72.72(9) ?
Ru2 Ru3 C5 . . . 103.76(9) ?
O0 Ru3 C31 . . . 91.63(15) ?
O0 Ru3 C32 . . . 171.13(15) ?
O0 Ru3 C33 . . . 95.49(14) ?
O0 Ru3 C4 . . . 89.82(12) ?
O0 Ru3 C5 . . . 81.80(13) ?
C31 Ru3 C32 . . . 87.09(17) ?
C31 Ru3 C33 . . . 93.65(17) ?
C31 Ru3 C4 . . . 147.26(15) ?
C31 Ru3 C5 . . . 173.16(15) ?
C32 Ru3 C33 . . . 93.35(15) ?
C32 Ru3 C4 . . . 86.54(14) ?
C32 Ru3 C5 . . . 99.69(15) ?
C33 Ru3 C4 . . . 118.76(15) ?
C33 Ru3 C5 . . . 85.12(15) ?
C4 Ru3 C5 . . . 35.43(13) ?
Ru1 O0 Ru3 . . . 111.75(15) ?
Ru1 O0 H0 . . . 122(4) ?
Ru3 O0 H0 . . . 107(5) ?
Ru1 C11 O11 . . . 179.0(4) ?
Ru1 C12 O12 . . . 173.4(4) ?
Ru1 C13 O13 . . . 178.7(3) ?
Ru2 C21 O21 . . . 174.8(3) ?
Ru2 C22 O22 . . . 179.4(3) ?
Ru2 C23 O23 . . . 179.3(4) ?
Ru3 C31 O31 . . . 171.4(4) ?
Ru3 C32 O32 . . . 177.1(4) ?
Ru3 C33 O33 . . . 175.6(4) ?
C111 C1 C121 . . . 118.2(3) ?
C111 C1 C2 . . . 121.1(3) ?
C121 C1 C2 . . . 120.5(3) ?
C1 C111 C112 . . . 122.2(3) ?
C1 C111 C116 . . . 119.2(3) ?
C112 C111 C116 . . . 118.6(3) ?
C111 C112 C113 . . . 120.7(4) ?
C111 C112 H112 . . . 121(2) ?
C113 C112 H112 . . . 118(2) ?
C112 C113 C114 . . . 121.0(4) ?
C112 C113 H113 . . . 117(3) ?
C114 C113 H113 . . . 122(3) ?
C113 C114 C115 . . . 119.1(4) ?
C113 C114 H114 . . . 120(2) ?
C115 C114 H114 . . . 121(2) ?
C114 C115 C116 . . . 120.4(4) ?
C114 C115 H115 . . . 122(2) ?
C116 C115 H115 . . . 118(2) ?
C111 C116 C115 . . . 120.3(4) ?
C111 C116 H116 . . . 120(2) ?
C115 C116 H116 . . . 120(2) ?
C1 C121 C122 . . . 120.3(3) ?
C1 C121 C126 . . . 121.9(3) ?
C122 C121 C126 . . . 117.6(4) ?
C121 C122 C123 . . . 121.5(4) ?
C121 C122 H122 . . . 123(3) ?
C123 C122 H122 . . . 115(3) ?
C122 C123 C124 . . . 119.7(4) ?
C122 C123 H123 . . . 123(2) ?
C124 C123 H123 . . . 117(2) ?
C123 C124 C125 . . . 119.6(4) ?
C123 C124 H124 . . . 117(3) ?
C125 C124 H124 . . . 124(3) ?
C124 C125 C126 . . . 120.6(4) ?
C124 C125 H125 . . . 123(3) ?
C126 C125 H125 . . . 117(3) ?
C121 C126 C125 . . . 120.8(4) ?
C121 C126 H126 . . . 123(2) ?
C125 C126 H126 . . . 116(2) ?
Ru2 C2 C1 . . . 141.6(3) ?
Ru2 C2 C3 . . . 75.3(2) ?
C1 C2 C3 . . . 143.0(4) ?
Ru1 C3 Ru2 . . . 78.34(12) ?
Ru1 C3 C2 . . . 117.3(2) ?
Ru1 C3 C4 . . . 126.2(2) ?
Ru2 C3 C2 . . . 67.8(2) ?
Ru2 C3 C4 . . . 116.4(2) ?
C2 C3 C4 . . . 116.1(3) ?
Ru3 C4 C3 . . . 93.9(2) ?
Ru3 C4 C5 . . . 71.1(2) ?
Ru3 C4 C6 . . . 115.8(2) ?
C3 C4 C5 . . . 124.3(3) ?
C3 C4 C6 . . . 117.0(3) ?
C5 C4 C6 . . . 117.7(3) ?
Ru3 C5 C4 . . . 73.4(2) ?
Ru3 C5 Si5 . . . 125.76(18) ?
Ru3 C5 H5 . . . 93(2) ?
C4 C5 Si5 . . . 125.4(3) ?
C4 C5 H5 . . . 116(2) ?
Si5 C5 H5 . . . 113(2) ?
C5 Si5 C501 . . . 106.8(2) ?
C5 Si5 C502 . . . 106.7(2) ?
C5 Si5 C503 . . . 112.8(2) ?
C501 Si5 C502 . . . 109.1(3) ?
C501 Si5 C503 . . . 109.6(2) ?
C502 Si5 C503 . . . 111.7(2) ?
Si5 C501 H501a . . . 109(3) ?
Si5 C501 H501b . . . 113(3) ?
Si5 C501 H501c . . . 112(3) ?
H501a C501 H501b . . . 108(4) ?
H501a C501 H501c . . . 102(4) ?
H501b C501 H501c . . . 111(4) ?
Si5 C502 H502a . . . 114(3) ?
Si5 C502 H502b . . . 113(3) ?
Si5 C502 H502c . . . 103(3) ?
H502a C502 H502b . . . 104(4) ?
H502a C502 H502c . . . 110(4) ?
H502b C502 H502c . . . 114(4) ?
Si5 C503 H503a . . . 107(3) ?
Si5 C503 H503b . . . 114(2) ?
Si5 C503 H503c . . . 114(2) ?
H503a C503 H503b . . . 102(4) ?
H503a C503 H503c . . . 110(3) ?
H503b C503 H503c . . . 109(4) ?
C4 C6 C7 . . . 174.6(4) ?
C6 C7 Si7 . . . 173.2(3) ?
C7 Si7 C701 . . . 107.0(2) ?
C7 Si7 C702 . . . 107.3(2) ?
C7 Si7 C703 . . . 110.7(2) ?
C701 Si7 C702 . . . 111.5(2) ?
C701 Si7 C703 . . . 108.7(2) ?
C702 Si7 C703 . . . 111.5(2) ?
Si7 C701 H701a . . . 109(3) ?
Si7 C701 H701b . . . 108(3) ?
Si7 C701 H701c . . . 110(3) ?
H701a C701 H701b . . . 110(4) ?
H701a C701 H701c . . . 113(4) ?
H701b C701 H701c . . . 107(4) ?
Si7 C702 H702a . . . 116(3) ?
Si7 C702 H702b . . . 119(3) ?
Si7 C702 H702c . . . 106(4) ?
H702a C702 H702b . . . 106(4) ?
H702a C702 H702c . . . 111(5) ?
H702b C702 H702c . . . 96(5) ?
Si7 C703 H703a . . . 101(3) ?
Si7 C703 H703b . . . 111(3) ?
Si7 C703 H703c . . . 110(3) ?
H703a C703 H703b . . . 116(5) ?
H703a C703 H703c . . . 117(4) ?
H703b C703 H703c . . . 103(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 Ru2 . . 2.7407(4) ?
Ru1 Ru3 . . 3.5042(4) ?
Ru1 O0 . . 2.131(3) ?
Ru1 C11 . . 1.961(4) ?
Ru1 C12 . . 1.917(4) ?
Ru1 C13 . . 1.865(4) ?
Ru1 C3 . . 2.085(3) ?
Ru2 Ru3 . . 2.9756(4) ?
Ru2 C21 . . 1.926(4) ?
Ru2 C22 . . 1.888(4) ?
Ru2 C23 . . 1.938(4) ?
Ru2 C2 . . 2.153(4) ?
Ru2 C3 . . 2.249(4) ?
Ru3 O0 . . 2.102(3) ?
Ru3 C31 . . 1.923(5) ?
Ru3 C32 . . 1.886(4) ?
Ru3 C33 . . 1.925(4) ?
Ru3 C4 . . 2.327(4) ?
Ru3 C5 . . 2.298(4) ?
O0 H0 . . .54(4) ?
C11 O11 . . 1.129(5) ?
C12 O12 . . 1.134(5) ?
C13 O13 . . 1.148(5) ?
C21 O21 . . 1.145(5) ?
C22 O22 . . 1.142(5) ?
C23 O23 . . 1.139(5) ?
C31 O31 . . 1.135(6) ?
C32 O32 . . 1.139(5) ?
C33 O33 . . 1.128(5) ?
C1 C111 . . 1.501(5) ?
C1 C121 . . 1.500(5) ?
C1 C2 . . 1.329(5) ?
C111 C112 . . 1.381(5) ?
C111 C116 . . 1.386(5) ?
C112 C113 . . 1.376(6) ?
C112 H112 . . .84(3) ?
C113 C114 . . 1.378(6) ?
C113 H113 . . .80(4) ?
C114 C115 . . 1.371(6) ?
C114 H114 . . .85(4) ?
C115 C116 . . 1.396(6) ?
C115 H115 . . .94(4) ?
C116 H116 . . .94(3) ?
C121 C122 . . 1.388(5) ?
C121 C126 . . 1.396(5) ?
C122 C123 . . 1.395(6) ?
C122 H122 . . .83(4) ?
C123 C124 . . 1.376(6) ?
C123 H123 . . .90(3) ?
C124 C125 . . 1.379(6) ?
C124 H124 . . .84(4) ?
C125 C126 . . 1.383(6) ?
C125 H125 . . .85(4) ?
C126 H126 . . 1.00(4) ?
C2 C3 . . 1.394(5) ?
C3 C4 . . 1.470(5) ?
C4 C5 . . 1.408(5) ?
C4 C6 . . 1.443(5) ?
C5 Si5 . . 1.893(4) ?
C5 H5 . . .91(3) ?
Si5 C501 . . 1.850(6) ?
Si5 C502 . . 1.858(5) ?
Si5 C503 . . 1.847(5) ?
C501 H501a . . .94(5) ?
C501 H501b . . .92(5) ?
C501 H501c . . .87(5) ?
C502 H502a . . .88(5) ?
C502 H502b . . .95(5) ?
C502 H502c . . .93(4) ?
C503 H503a . . .98(5) ?
C503 H503b . . .95(4) ?
C503 H503c . . .88(4) ?
C6 C7 . . 1.207(5) ?
C7 Si7 . . 1.850(4) ?
Si7 C701 . . 1.860(5) ?
Si7 C702 . . 1.845(5) ?
Si7 C703 . . 1.855(5) ?
C701 H701a . . .93(5) ?
C701 H701b . . .97(4) ?
C701 H701c . . .92(4) ?
C702 H702a . . .87(4) ?
C702 H702b . . .96(5) ?
C702 H702c . . .78(6) ?
C703 H703a . . .89(5) ?
C703 H703b . . .90(5) ?
C703 H703c . . .92(5) ?
