#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/13/7011373.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_7011373
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            'C30 H26 O11 Ru3 Si'
_chemical_formula_weight         893.83
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             01-08-27
_audit_creation_method           Xtal3.6
_cell_angle_alpha                80.98(2)
_cell_angle_beta                 76.48(3)
_cell_angle_gamma                89.61(2)
_cell_formula_units_Z            2
_cell_length_a                   13.398(4)
_cell_length_b                   13.138(3)
_cell_length_c                   10.210(4)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      23.4
_cell_measurement_theta_min      15.8
_cell_volume                     1724.9(10)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
CAD4 diffractometer
;
_diffrn_measurement_method       '2θ-ω scans'
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .077
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6765
_diffrn_reflns_theta_max         25.
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    1.385
_exptl_absorpt_correction_T_max  .85
_exptl_absorpt_correction_T_min  .79
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
XTAL absorb                
;
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_description       plate
_exptl_crystal_F_000             880
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .19
_exptl_crystal_size_min          .09
_refine_diff_density_max         1.41
_refine_diff_density_min         -1.31
_refine_ls_goodness_of_fit_all   1.29
_refine_ls_goodness_of_fit_ref   1.63
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .080
_refine_ls_R_factor_gt           .057
_refine_ls_shift/su_max          .068
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .070
_refine_ls_wR_factor_ref         .066
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              11
_reflns_limit_l_min              0
_reflns_number_gt                4326
_reflns_number_observed          4026
_reflns_number_total             6063
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b111088h.txt
_cod_data_source_block           br570
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C30 H26 O11 Ru3 Si1'
_cod_database_code               7011373
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-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 .71356(6) .04438(7) .11457(9) .0434(7) Uani ? ? 1.00000 ? ?
Ru2 .68122(6) .19802(7) .27448(8) .0422(7) Uani ? ? 1.00000 ? ?
Ru3 .89062(6) .24894(7) .08939(9) .0428(7) Uani ? ? 1.00000 ? ?
O0 .8721(5) .0905(5) .0803(6) .043(5) Uani ? ? 1.00000 ? ?
C11 .7426(9) -.0755(9) .2333(13) .060(10) Uani ? ? 1.00000 ? ?
O11 .7598(8) -.1427(8) .3079(10) .090(9) Uani ? ? 1.00000 ? ?
C12 .7347(9) -.0166(10) -.0486(13) .064(11) Uani ? ? 1.00000 ? ?
O12 .7425(8) -.0541(11) -.1430(12) .127(13) Uani ? ? 1.00000 ? ?
C13 .5717(10) .0139(9) .1568(12) .059(10) Uani ? ? 1.00000 ? ?
O13 .4868(7) -.0013(8) .1777(11) .091(10) Uani ? ? 1.00000 ? ?
C21 .7452(9) .1110(11) .3996(12) .066(11) Uani ? ? 1.00000 ? ?
O21 .7747(8) .0622(9) .4785(10) .106(11) Uani ? ? 1.00000 ? ?
O22 .4766(7) .1131(8) .4495(9) .083(8) Uani ? ? 1.00000 ? ?
C22 .5533(9) .1452(9) .3788(11) .054(10) Uani ? ? 1.00000 ? ?
C23 .6748(9) .3296(11) .3384(12) .060(10) Uani ? ? 1.00000 ? ?
O23 .6716(8) .4056(8) .3784(10) .089(9) Uani ? ? 1.00000 ? ?
C31 .9239(9) .2207(10) .2622(13) .064(11) Uani ? ? 1.00000 ? ?
O31 .9581(8) .2100(9) .3553(9) .094(10) Uani ? ? 1.00000 ? ?
C32 .8878(9) .3880(10) .1061(12) .061(11) Uani ? ? 1.00000 ? ?
O32 .8835(8) .4724(7) .1176(10) .091(10) Uani ? ? 1.00000 ? ?
C33 1.0340(10) .2543(11) -.0086(12) .064(11) Uani ? ? 1.00000 ? ?
O33 1.1174(7) .2555(9) -.0556(11) .107(11) Uani ? ? 1.00000 ? ?
C1 .5059(7) .2792(8) .0995(10) .040(8) Uani ? ? 1.00000 ? ?
C111 .4327(7) .3190(8) .2142(10) .042(8) Uani ? ? 1.00000 ? ?
C112 .3450(9) .2738(13) .2785(13) .086(13) Uani ? ? 1.00000 ? ?
C113 .2800(8) .3059(10) .3936(13) .062(10) Uani ? ? 1.00000 ? ?
C114 .3055(11) .3971(17) .4210(16) .104(17) Uani ? ? 1.00000 ? ?
C115 .3918(10) .4478(10) .3602(14) .066(12) Uani ? ? 1.00000 ? ?
C116 .4558(8) .4127(9) .2497(12) .057(9) Uani ? ? 1.00000 ? ?
C121 .4772(8) .2863(8) -.0347(11) .047(8) Uani ? ? 1.00000 ? ?
C122 .3917(9) .3366(10) -.0573(13) .064(11) Uani ? ? 1.00000 ? ?
C123 .3688(11) .3472(12) -.1834(17) .086(14) Uani ? ? 1.00000 ? ?
C124 .4311(13) .3041(13) -.2873(14) .085(14) Uani ? ? 1.00000 ? ?
C125 .5136(12) .2519(12) -.2664(13) .078(13) Uani ? ? 1.00000 ? ?
C126 .5385(9) .2413(10) -.1416(11) .058(10) Uani ? ? 1.00000 ? ?
C2 .5942(7) .2387(8) .1188(9) .039(7) Uani ? ? 1.00000 ? ?
C3 .6846(7) .1976(8) .0558(9) .038(7) Uani ? ? 1.00000 ? ?
C4 .7611(7) .2774(8) -.0217(10) .041(8) Uani ? ? 1.00000 ? ?
C5 .8512(7) .2678(7) -.1192(9) .037(7) Uani ? ? 1.00000 ? ?
Si5 .8999(3) .3706(3) -.2662(3) .054(3) Uani ? ? 1.00000 ? ?
C501 1.0383(10) .3597(13) -.3417(14) .097(14) Uani ? ? 1.00000 ? ?
C502 .8258(11) .3476(11) -.3936(12) .076(12) Uani ? ? 1.00000 ? ?
C503 .8742(10) .5024(10) -.2207(13) .073(12) Uani ? ? 1.00000 ? ?
O01 .9875(6) .0386(7) -.1694(8) .078(8) Uani ? ? 1.00000 ? ?
C01 .9802(11) .0496(13) -.3065(13) .091(14) Uani ? ? 1.00000 ? ?
H0 .90425 .08801 .00000 .06000 Uiso ? ? 1.00000 ? ?
H112 .32193 .21422 .24379 .10800 Uiso ? ? 1.00000 ? ?
H113 .22017 .26424 .44966 .07900 Uiso ? ? 1.00000 ? ?
H114 .25694 .42700 .49017 .12900 Uiso ? ? 1.00000 ? ?
H115 .40955 .50842 .39512 .08000 Uiso ? ? 1.00000 ? ?
H116 .51574 .45363 .19631 .07200 Uiso ? ? 1.00000 ? ?
H122 .34648 .36680 .01644 .08200 Uiso ? ? 1.00000 ? ?
H123 .30980 .38430 -.20156 .11000 Uiso ? ? 1.00000 ? ?
H124 .41469 .31179 -.37680 .10000 Uiso ? ? 1.00000 ? ?
H125 .55529 .22103 -.34078 .09600 Uiso ? ? 1.00000 ? ?
H126 .59728 .20105 -.12597 .07400 Uiso ? ? 1.00000 ? ?
H4 .73623 .34686 .00000 .05300 Uiso ? ? 1.00000 ? ?
H5 .85833 .20860 -.13889 .06200 Uiso ? ? 1.00000 ? ?
H501a 1.07764 .36626 -.27615 .14100 Uiso ? ? 1.00000 ? ?
H501b 1.06127 .41196 -.41892 .14100 Uiso ? ? 1.00000 ? ?
H501c 1.05128 .29374 -.37029 .14100 Uiso ? ? 1.00000 ? ?
H502a .84761 .39449 -.47748 .11000 Uiso ? ? 1.00000 ? ?
H502b .75354 .35573 -.35942 .11000 Uiso ? ? 1.00000 ? ?
H502c .83479 .27858 -.41453 .11000 Uiso ? ? 1.00000 ? ?
H503a .89704 .55341 -.29931 .10400 Uiso ? ? 1.00000 ? ?
H503b .90905 .51345 -.15272 .10400 Uiso ? ? 1.00000 ? ?
H503c .80212 .50899 -.18602 .10400 Uiso ? ? 1.00000 ? ?
H01a .96225 .11878 -.34054 .13000 Uiso ? ? 1.00000 ? ?
H01b .92987 .00320 -.32085 .13000 Uiso ? ? 1.00000 ? ?
H01c 1.06115 .03226 -.36603 .13000 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 60 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 22 .008 .006 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 52 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Si ? 0 2 .072 .071 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Ru ? 0 6 -1.42 .836 '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
9 8 6
-9 -8 -6
10 0 0
-10 0 0
0 13 0
0 -13 0
0 0 11
0 0 -11
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 O0 . . . 83.70(19) ?
Ru2 Ru1 C11 . . . 104.7(4) ?
Ru2 Ru1 C12 . . . 157.7(4) ?
Ru2 Ru1 C13 . . . 90.5(4) ?
Ru2 Ru1 C3 . . . 52.5(3) ?
O0 Ru1 C11 . . . 87.2(4) ?
O0 Ru1 C12 . . . 93.9(4) ?
O0 Ru1 C13 . . . 174.2(4) ?
O0 Ru1 C3 . . . 87.4(3) ?
C11 Ru1 C12 . . . 97.2(6) ?
C11 Ru1 C13 . . . 93.9(5) ?
C11 Ru1 C3 . . . 157.0(5) ?
C12 Ru1 C13 . . . 91.7(5) ?
C12 Ru1 C3 . . . 105.4(5) ?
C13 Ru1 C3 . . . 89.3(4) ?
Ru1 Ru2 Ru3 . . . 75.49(3) ?
Ru1 Ru2 C21 . . . 87.1(4) ?
Ru1 Ru2 C22 . . . 95.1(4) ?
Ru1 Ru2 C23 . . . 164.0(3) ?
Ru1 Ru2 C2 . . . 73.8(3) ?
Ru1 Ru2 C3 . . . 47.6(3) ?
Ru3 Ru2 C21 . . . 88.6(3) ?
Ru3 Ru2 C22 . . . 170.4(4) ?
Ru3 Ru2 C23 . . . 92.6(3) ?
Ru3 Ru2 C2 . . . 96.6(2) ?
Ru3 Ru2 C3 . . . 66.9(2) ?
C21 Ru2 C22 . . . 89.0(5) ?
C21 Ru2 C23 . . . 103.5(6) ?
C21 Ru2 C2 . . . 158.1(5) ?
C21 Ru2 C3 . . . 131.5(5) ?
C22 Ru2 C23 . . . 97.0(5) ?
C22 Ru2 C2 . . . 82.3(4) ?
C22 Ru2 C3 . . . 108.3(5) ?
C23 Ru2 C2 . . . 97.5(5) ?
C23 Ru2 C3 . . . 118.1(4) ?
C2 Ru2 C3 . . . 36.5(3) ?
Ru2 Ru3 O0 . . . 78.22(16) ?
Ru2 Ru3 C31 . . . 79.1(3) ?
Ru2 Ru3 C32 . . . 94.4(3) ?
Ru2 Ru3 C33 . . . 167.6(4) ?
Ru2 Ru3 C4 . . . 67.0(2) ?
Ru2 Ru3 C5 . . . 100.5(2) ?
O0 Ru3 C31 . . . 92.7(4) ?
O0 Ru3 C32 . . . 172.3(4) ?
O0 Ru3 C33 . . . 93.0(4) ?
O0 Ru3 C4 . . . 87.0(3) ?
O0 Ru3 C5 . . . 82.3(3) ?
C31 Ru3 C32 . . . 88.2(6) ?
C31 Ru3 C33 . . . 92.7(5) ?
C31 Ru3 C4 . . . 145.4(4) ?
C31 Ru3 C5 . . . 175.0(5) ?
C32 Ru3 C33 . . . 94.6(5) ?
C32 Ru3 C4 . . . 87.8(5) ?
C32 Ru3 C5 . . . 96.8(5) ?
C33 Ru3 C4 . . . 121.9(4) ?
C33 Ru3 C5 . . . 86.9(4) ?
C4 Ru3 C5 . . . 35.5(3) ?
Ru1 O0 Ru3 . . . 112.1(3) ?
Ru1 O0 H0 . . . 111.7 ?
Ru3 O0 H0 . . . 101.0 ?
Ru1 C11 O11 . . . 176.5(12) ?
Ru1 C12 O12 . . . 176.8(11) ?
Ru1 C13 O13 . . . 177.2(11) ?
Ru2 C21 O21 . . . 174.3(11) ?
Ru2 C22 O22 . . . 176.1(12) ?
Ru2 C23 O23 . . . 178.4(11) ?
Ru3 C31 O31 . . . 169.6(10) ?
Ru3 C32 O32 . . . 178.3(11) ?
Ru3 C33 O33 . . . 174.9(12) ?
C111 C1 C121 . . . 118.3(9) ?
C111 C1 C2 . . . 120.0(10) ?
C121 C1 C2 . . . 121.7(9) ?
C1 C111 C112 . . . 123.7(11) ?
C1 C111 C116 . . . 119.0(8) ?
C112 C111 C116 . . . 117.2(11) ?
C111 C112 C113 . . . 123.9(15) ?
C111 C112 H112 . . . 118.1 ?
C113 C112 H112 . . . 118.0 ?
C112 C113 C114 . . . 115.3(11) ?
C112 C113 H113 . . . 122.4 ?
C114 C113 H113 . . . 122.3 ?
C113 C114 C115 . . . 123.7(15) ?
C113 C114 H114 . . . 117.7 ?
C115 C114 H114 . . . 119 ?
C114 C115 C116 . . . 119.1(15) ?
C114 C115 H115 . . . 118.8 ?
C116 C115 H115 . . . 122.1 ?
C111 C116 C115 . . . 119.7(10) ?
C111 C116 H116 . . . 120.0 ?
C115 C116 H116 . . . 120.3 ?
C1 C121 C122 . . . 121.1(10) ?
C1 C121 C126 . . . 120.5(10) ?
C122 C121 C126 . . . 118.4(11) ?
C121 C122 C123 . . . 120.6(12) ?
C121 C122 H122 . . . 120.0 ?
C123 C122 H122 . . . 119.4 ?
C122 C123 C124 . . . 119.9(14) ?
C122 C123 H123 . . . 121.5 ?
C124 C123 H123 . . . 118.5 ?
C123 C124 C125 . . . 120.4(15) ?
C123 C124 H124 . . . 119.8 ?
C125 C124 H124 . . . 119.8 ?
C124 C125 C126 . . . 120.6(13) ?
C124 C125 H125 . . . 118.7 ?
C126 C125 H125 . . . 120.7 ?
C121 C126 C125 . . . 120.0(12) ?
C121 C126 H126 . . . 119.8 ?
C125 C126 H126 . . . 120.2 ?
Ru2 C2 C1 . . . 142.4(7) ?
Ru2 C2 C3 . . . 73.3(6) ?
C1 C2 C3 . . . 144.3(10) ?
Ru1 C3 Ru2 . . . 79.9(3) ?
Ru1 C3 C2 . . . 119.7(6) ?
Ru1 C3 C4 . . . 125.8(7) ?
Ru2 C3 C2 . . . 70.1(6) ?
Ru2 C3 C4 . . . 105.9(7) ?
C2 C3 C4 . . . 112.4(9) ?
Ru3 C4 C3 . . . 101.8(6) ?
Ru3 C4 C5 . . . 72.4(6) ?
Ru3 C4 H4 . . . 102.7 ?
C3 C4 C5 . . . 129.2(9) ?
C3 C4 H4 . . . 109.0 ?
C5 C4 H4 . . . 121.6 ?
Ru3 C5 C4 . . . 72.1(6) ?
Ru3 C5 Si5 . . . 126.8(5) ?
Ru3 C5 H5 . . . 102.6 ?
C4 C5 Si5 . . . 122.0(7) ?
C4 C5 H5 . . . 113.0 ?
Si5 C5 H5 . . . 113.5 ?
C5 Si5 C501 . . . 112.2(6) ?
C5 Si5 C502 . . . 103.9(5) ?
C5 Si5 C503 . . . 112.1(5) ?
C501 Si5 C502 . . . 108.9(6) ?
C501 Si5 C503 . . . 109.9(7) ?
C502 Si5 C503 . . . 109.6(7) ?
Si5 C501 H501a . . . 110.5 ?
Si5 C501 H501b . . . 110.8 ?
Si5 C501 H501c . . . 110.3 ?
H501a C501 H501b . . . 108.6 ?
H501a C501 H501c . . . 108.1 ?
H501b C501 H501c . . . 108.5 ?
Si5 C502 H502a . . . 111.6 ?
Si5 C502 H502b . . . 111.3 ?
Si5 C502 H502c . . . 111.0 ?
H502a C502 H502b . . . 107.9 ?
H502a C502 H502c . . . 107.6 ?
H502b C502 H502c . . . 107.3 ?
Si5 C503 H503a . . . 110.1 ?
Si5 C503 H503b . . . 110.2 ?
Si5 C503 H503c . . . 109.7 ?
H503a C503 H503b . . . 109.2 ?
H503a C503 H503c . . . 108.7 ?
H503b C503 H503c . . . 108.9 ?
O01 C01 H01a . . . 112.3 ?
O01 C01 H01b . . . 113.3 ?
O01 C01 H01c . . . 104.5 ?
H01a C01 H01b . . . 106.7 ?
H01a C01 H01c . . . 109.7 ?
H01b C01 H01c . . . 110.3 ?
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 . . 2.7602(15) ?
Ru1 O0 . . 2.146(7) ?
Ru1 C11 . . 1.927(12) ?
Ru1 C12 . . 1.921(14) ?
Ru1 C13 . . 1.879(13) ?
Ru1 C3 . . 2.069(10) ?
Ru2 Ru3 . . 3.0067(13) ?
Ru2 C21 . . 1.927(13) ?
Ru2 C22 . . 1.867(11) ?
Ru2 C23 . . 1.935(14) ?
Ru2 C2 . . 2.183(10) ?
Ru2 C3 . . 2.223(10) ?
Ru3 O0 . . 2.117(7) ?
Ru3 C31 . . 1.900(14) ?
Ru3 C32 . . 1.861(14) ?
Ru3 C33 . . 1.943(12) ?
Ru3 C4 . . 2.283(11) ?
Ru3 C5 . . 2.288(10) ?
O0 H0 . . .838 ?
C11 O11 . . 1.132(16) ?
C12 O12 . . 1.13(2) ?
C13 O13 . . 1.121(16) ?
C21 O21 . . 1.095(17) ?
O22 C22 . . 1.148(14) ?
C23 O23 . . 1.134(18) ?
C31 O31 . . 1.137(17) ?
C32 O32 . . 1.132(17) ?
C33 O33 . . 1.107(16) ?
C1 C111 . . 1.502(14) ?
C1 C121 . . 1.498(16) ?
C1 C2 . . 1.337(14) ?
C111 C112 . . 1.301(15) ?
C111 C116 . . 1.392(17) ?
C112 C113 . . 1.410(18) ?
C112 H112 . . .987 ?
C113 C114 . . 1.34(3) ?
C113 H113 . . .981 ?
C114 C115 . . 1.31(2) ?
C114 H114 . . .972 ?
C115 C116 . . 1.389(17) ?
C115 H115 . . .974 ?
C116 H116 . . .970 ?
C121 C122 . . 1.367(17) ?
C121 C126 . . 1.411(16) ?
C122 C123 . . 1.38(2) ?
C122 H122 . . .984 ?
C123 C124 . . 1.38(2) ?
C123 H123 . . .965 ?
C124 C125 . . 1.34(2) ?
C124 H124 . . .978 ?
C125 C126 . . 1.377(19) ?
C125 H125 . . .974 ?
C126 H126 . . .976 ?
C2 C3 . . 1.381(13) ?
C3 C4 . . 1.467(13) ?
C4 C5 . . 1.393(12) ?
C4 H4 . . 1.009 ?
C5 Si5 . . 1.849(9) ?
C5 H5 . . .833 ?
Si5 C501 . . 1.849(14) ?
Si5 C502 . . 1.870(15) ?
Si5 C503 . . 1.871(14) ?
C501 H501a . . .957 ?
C501 H501b . . .953 ?
C501 H501c . . .959 ?
C502 H502a . . .958 ?
C502 H502b . . .961 ?
C502 H502c . . .965 ?
C503 H503a . . .952 ?
C503 H503b . . .951 ?
C503 H503c . . .956 ?
O01 C01 . . 1.411(16) ?
C01 H01a . . .970 ?
C01 H01b . . .963 ?
C01 H01c . . 1.153 ?
