#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/33/2013363.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2013363
loop_
_publ_author_name
'Anderson, James N.'
'Brookes, Neil J.'
'Coe, Benjamin J.'
'Coles, Simon J.'
'Light, Mark E.'
'Hursthouse, Michael B.'
_publ_section_title
;trans-Bis[1,2-bis(diphenylphosphino)ethane-κ²P,P']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II)
 and
 trans-bis[1,2-bis(diphenylphosphino)ethane-κ²P,P']bis(buta-1,3-diynyl)ruthenium(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m215
_journal_page_last               m217
_journal_paper_doi               10.1107/S0108270103007716
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Ru (C7 H9 Si)2 (C26 H24 P2)2]'
_chemical_formula_moiety         'C66 H66 P4 Ru Si2'
_chemical_formula_sum            'C66 H66 P4 Ru Si2'
_chemical_formula_weight         1140.32
_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_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                110.32(3)
_cell_angle_beta                 93.16(3)
_cell_angle_gamma                96.36(3)
_cell_formula_units_Z            2
_cell_length_a                   12.677(3)
_cell_length_b                   16.058(3)
_cell_length_c                   16.085(3)
_cell_measurement_reflns_used    42685
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.92
_cell_volume                     3036.3(13)
_computing_cell_refinement       'DENZO, COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO, COLLECT'
_computing_molecular_graphics    'CAMERON (Watkin, et al., 1993)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0959
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            42685
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.92
_diffrn_standards_decay_%        negligible
_exptl_absorpt_coefficient_mu    0.441
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.806
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         13576
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      4.474
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0.059
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0565P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                9761
_reflns_number_total             13576
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk1628.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2013363
_cod_database_fobs_code          2013363
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
C1 0.4535(9) 0.3114(8) 0.4542(7) 0.024(3) Uani d . 1 . . C
C2 0.4027(10) 0.2839(9) 0.5160(9) 0.035(3) Uani d . 1 . . C
H2 0.327 0.2767 0.5129 0.042 Uiso calc R 1 . . H
C3 0.4605(12) 0.2666(11) 0.5821(10) 0.049(4) Uani d . 1 . . C
H3 0.4244 0.2481 0.6243 0.059 Uiso calc R 1 . . H
C4 0.5707(11) 0.2763(10) 0.5871(10) 0.045(4) Uani d . 1 . . C
H4 0.6104 0.265 0.6329 0.054 Uiso calc R 1 . . H
C5 0.6227(10) 0.3025(9) 0.5253(9) 0.039(3) Uani d . 1 . . C
H5 0.6984 0.3086 0.5282 0.046 Uiso calc R 1 . . H
C6 0.5647(10) 0.3200(8) 0.4588(8) 0.031(3) Uani d . 1 . . C
H6 0.6009 0.3379 0.4162 0.037 Uiso calc R 1 . . H
C7 0.4742(9) 0.3804(8) 0.3131(7) 0.023(3) Uani d . 1 . . C
C8 0.5091(9) 0.4720(8) 0.3356(8) 0.029(3) Uani d . 1 . . C
H8 0.4798 0.5146 0.3824 0.035 Uiso calc R 1 . . H
C9 0.5863(10) 0.5010(9) 0.2901(9) 0.036(3) Uani d . 1 . . C
H9 0.6089 0.5633 0.3054 0.043 Uiso calc R 1 . . H
C10 0.6304(11) 0.4396(10) 0.2225(10) 0.043(4) Uani d . 1 . . C
H10 0.6833 0.4597 0.1916 0.052 Uiso calc R 1 . . H
C11 0.5976(10) 0.3493(10) 0.2002(9) 0.038(3) Uani d . 1 . . C
H11 0.628 0.3072 0.1537 0.046 Uiso calc R 1 . . H
C12 0.5203(9) 0.3194(9) 0.2451(8) 0.030(3) Uani d . 1 . . C
H12 0.4986 0.2569 0.2295 0.036 Uiso calc R 1 . . H
C13 0.3184(9) 0.4371(8) 0.4389(7) 0.024(3) Uani d . 1 . . C
H13A 0.2783 0.4231 0.4847 0.028 Uiso calc R 1 . . H
H13B 0.3776 0.4857 0.4698 0.028 Uiso calc R 1 . . H
C14 0.2448(9) 0.4679(8) 0.3810(8) 0.024(3) Uani d . 1 . . C
H14A 0.2883 0.5011 0.3502 0.029 Uiso calc R 1 . . H
H14B 0.2003 0.5095 0.4193 0.029 Uiso calc R 1 . . H
C15 0.1556(9) 0.4077(8) 0.2000(7) 0.023(3) Uani d . 1 . . C
C16 0.2527(10) 0.4285(8) 0.1698(8) 0.029(3) Uani d . 1 . . C
H16 0.3174 0.4245 0.1999 0.035 Uiso calc R 1 . . H
C17 0.2560(12) 0.4548(9) 0.0966(9) 0.040(3) Uani d . 1 . . C
H17 0.3226 0.4704 0.0778 0.048 Uiso calc R 1 . . H
C18 0.1616(13) 0.4586(10) 0.0507(9) 0.043(4) Uani d . 1 . . C
H18 0.1636 0.4763 0.0002 0.051 Uiso calc R 1 . . H
C19 0.0659(12) 0.4367(9) 0.0782(9) 0.041(4) Uani d . 1 . . C
H19 0.0016 0.4397 0.0468 0.049 Uiso calc R 1 . . H
C20 0.0613(10) 0.4103(8) 0.1519(8) 0.030(3) Uani d . 1 . . C
H20 -0.0058 0.3939 0.1695 0.036 Uiso calc R 1 . . H
C21 0.0241(9) 0.3904(8) 0.3329(7) 0.022(3) Uani d . 1 . . C
C22 -0.0079(10) 0.4753(8) 0.3568(8) 0.031(3) Uani d . 1 . . C
H22 0.0407 0.5245 0.3563 0.038 Uiso calc R 1 . . H
C23 -0.1087(10) 0.4887(9) 0.3811(9) 0.038(3) Uani d . 1 . . C
H23 -0.129 0.547 0.3974 0.046 Uiso calc R 1 . . H
C24 -0.1813(10) 0.4172(9) 0.3818(9) 0.034(3) Uani d . 1 . . C
H24 -0.2512 0.4264 0.3981 0.041 Uiso calc R 1 . . H
C25 -0.1507(10) 0.3331(8) 0.3588(8) 0.032(3) Uani d . 1 . . C
H25 -0.1996 0.2842 0.3597 0.039 Uiso calc R 1 . . H
C26 -0.0492(9) 0.3195(8) 0.3343(7) 0.025(3) Uani d . 1 . . C
H26 -0.0291 0.2611 0.3183 0.03 Uiso calc R 1 . . H
C27 0.0088(9) 0.1699(7) 0.1036(7) 0.022(3) Uani d . 1 . . C
C28 0.0567(10) 0.1778(8) 0.0306(7) 0.026(3) Uani d . 1 . . C
H28 0.1283 0.1666 0.0236 0.031 Uiso calc R 1 . . H
C29 0.0009(10) 0.2020(9) -0.0320(8) 0.032(3) Uani d . 1 . . C
H29 0.0342 0.2063 -0.0821 0.038 Uiso calc R 1 . . H
C30 -0.1028(11) 0.2198(9) -0.0220(8) 0.036(3) Uani d . 1 . . C
H30 -0.141 0.2363 -0.065 0.043 Uiso calc R 1 . . H
C31 -0.1502(11) 0.2134(9) 0.0511(8) 0.036(3) Uani d . 1 . . C
H31 -0.2212 0.226 0.0585 0.043 Uiso calc R 1 . . H
C32 -0.0950(9) 0.1887(8) 0.1138(8) 0.029(3) Uani d . 1 . . C
H32 -0.1285 0.1848 0.164 0.035 Uiso calc R 1 . . H
C33 -0.0241(9) 0.0734(8) 0.2217(7) 0.023(3) Uani d . 1 . . C
C34 -0.0979(9) 0.0068(8) 0.1588(8) 0.028(3) Uani d . 1 . . C
H34 -0.0957 -0.0031 0.0972 0.034 Uiso calc R 1 . . H
C35 -0.1739(10) -0.0446(9) 0.1854(9) 0.036(3) Uani d . 1 . . C
H35 -0.2234 -0.0896 0.1422 0.043 Uiso calc R 1 . . H
C36 -0.1779(10) -0.0305(9) 0.2744(10) 0.040(3) Uani d . 1 . . C
H36 -0.2299 -0.0663 0.2924 0.048 Uiso calc R 1 . . H
C37 -0.1073(11) 0.0349(10) 0.3374(9) 0.041(3) Uani d . 1 . . C
H37 -0.1115 0.0452 0.3989 0.049 Uiso calc R 1 . . H
C38 -0.0296(10) 0.0861(8) 0.3111(8) 0.030(3) Uani d . 1 . . C
H38 0.0202 0.1304 0.3548 0.036 Uiso calc R 1 . . H
C39 0.1470(9) 0.0417(8) 0.1171(7) 0.022(3) Uani d . 1 . . C
H39A 0.0923 -0.0071 0.0779 0.027 Uiso calc R 1 . . H
H39B 0.1958 0.0614 0.0795 0.027 Uiso calc R 1 . . H
C40 0.2091(9) 0.0091(8) 0.1811(8) 0.025(3) Uani d . 1 . . C
H40A 0.2553 -0.0339 0.1473 0.03 Uiso calc R 1 . . H
H40B 0.1583 -0.023 0.2081 0.03 Uiso calc R 1 . . H
C41 0.2993(10) 0.0541(8) 0.3590(8) 0.028(3) Uani d . 1 . . C
C42 0.2404(11) 0.0818(9) 0.4309(9) 0.038(3) Uani d . 1 . . C
H42 0.196 0.1268 0.4351 0.045 Uiso calc R 1 . . H
C43 0.2450(14) 0.0451(11) 0.4968(10) 0.052(4) Uani d . 1 . . C
H43 0.2035 0.065 0.5455 0.062 Uiso calc R 1 . . H
C44 0.3084(14) -0.0192(11) 0.4929(11) 0.057(4) Uani d . 1 . . C
H44 0.3128 -0.0427 0.5395 0.068 Uiso calc R 1 . . H
C45 0.3653(14) -0.0495(12) 0.4215(12) 0.061(5) Uani d . 1 . . C
H45 0.4077 -0.0957 0.4175 0.073 Uiso calc R 1 . . H
C46 0.3620(12) -0.0135(10) 0.3546(10) 0.047(4) Uani d . 1 . . C
H46 0.4026 -0.0349 0.3055 0.057 Uiso calc R 1 . . H
C47 0.4267(9) 0.0957(8) 0.2355(9) 0.029(3) Uani d . 1 . . C
C48 0.5164(10) 0.1174(9) 0.2986(10) 0.039(3) Uani d . 1 . . C
H48 0.507 0.1325 0.36 0.046 Uiso calc R 1 . . H
C49 0.6183(11) 0.1169(10) 0.2717(13) 0.053(4) Uani d . 1 . . C
H49 0.6782 0.1306 0.3147 0.064 Uiso calc R 1 . . H
C50 0.6330(12) 0.0966(11) 0.1835(14) 0.064(5) Uani d . 1 . . C
H50 0.7032 0.097 0.1658 0.076 Uiso calc R 1 . . H
C51 0.5468(12) 0.0755(10) 0.1202(12) 0.053(4) Uani d . 1 . . C
H51 0.5576 0.0617 0.0591 0.064 Uiso calc R 1 . . H
C52 0.4442(10) 0.0744(9) 0.1461(9) 0.036(3) Uani d . 1 . . C
H52 0.385 0.0591 0.1022 0.044 Uiso calc R 1 . . H
C53 0.2855(9) 0.2308(7) 0.1690(8) 0.024(3) Uani d . 1 . . C
C54 0.3222(9) 0.2306(8) 0.1031(8) 0.026(3) Uani d . 1 . . C
C55 0.3709(10) 0.2369(9) 0.0294(8) 0.033(3) Uani d . 1 . . C
C56 0.4157(11) 0.2450(10) -0.0329(9) 0.043(4) Uani d . 1 . . C
C57 0.456(2) 0.1728(15) -0.2238(13) 0.102(7) Uani d U 1 . . C
H57A 0.4654 0.1166 -0.2146 0.153 Uiso calc R 1 . . H
H57B 0.5035 0.1807 -0.2675 0.153 Uiso calc R 1 . . H
H57C 0.3821 0.1706 -0.2458 0.153 Uiso calc R 1 . . H
C58 0.4536(19) 0.3694(15) -0.1335(15) 0.101(7) Uani d U 1 . . C
H58A 0.3793 0.358 -0.1594 0.152 Uiso calc R 1 . . H
H58B 0.5003 0.3856 -0.1738 0.152 Uiso calc R 1 . . H
H58C 0.4618 0.4188 -0.0759 0.152 Uiso calc R 1 . . H
C59 0.6320(16) 0.287(3) -0.079(2) 0.246(8) Uani d U 1 . . C
H59A 0.6437 0.3302 -0.0179 0.369 Uiso calc R 1 . . H
H59B 0.6724 0.3117 -0.1178 0.369 Uiso calc R 1 . . H
H59C 0.656 0.2307 -0.0814 0.369 Uiso calc R 1 . . H
C60 0.1578(9) 0.2581(8) 0.4063(9) 0.025(3) Uani d . 1 . . C
C61 0.1216(9) 0.2718(7) 0.4694(8) 0.024(3) Uani d . 1 . . C
C62 0.0695(10) 0.2741(8) 0.5476(8) 0.029(3) Uani d . 1 . . C
C63 0.0268(11) 0.2753(9) 0.6142(9) 0.037(3) Uani d . 1 . . C
C64 0.0672(14) 0.3441(12) 0.8110(10) 0.066(5) Uani d . 1 . . C
H64A 0.1306 0.3139 0.8086 0.099 Uiso calc R 1 . . H
H64B 0.0359 0.3505 0.8669 0.099 Uiso calc R 1 . . H
H64C 0.0873 0.4035 0.8078 0.099 Uiso calc R 1 . . H
C65 -0.1565(12) 0.3291(12) 0.7240(11) 0.059(5) Uani d . 1 . . C
H65A -0.1396 0.3914 0.7278 0.089 Uiso calc R 1 . . H
H65B -0.1889 0.3276 0.7775 0.089 Uiso calc R 1 . . H
H65C -0.2065 0.2958 0.6712 0.089 Uiso calc R 1 . . H
C66 -0.0641(14) 0.1610(10) 0.7127(10) 0.055(4) Uani d . 1 . . C
H66A -0.1163 0.127 0.6615 0.083 Uiso calc R 1 . . H
H66B -0.094 0.1618 0.7678 0.083 Uiso calc R 1 . . H
H66C 0.001 0.1325 0.707 0.083 Uiso calc R 1 . . H
Si1 0.4905(3) 0.2673(4) -0.1176(3) 0.0523(13) Uani d . 1 . . Si
Si2 -0.0319(3) 0.2767(3) 0.7156(2) 0.0324(9) Uani d . 1 . . Si
P1 0.3726(2) 0.3370(2) 0.37021(19) 0.0200(7) Uani d . 1 . . P
P2 0.1563(2) 0.3718(2) 0.29627(19) 0.0191(7) Uani d . 1 . . P
P3 0.0827(2) 0.1369(2) 0.18628(19) 0.0191(7) Uani d . 1 . . P
P4 0.2929(2) 0.1027(2) 0.2712(2) 0.0210(7) Uani d . 1 . . P
Ru1 0.22320(7) 0.23761(6) 0.28515(5) 0.0173(4) Uani d . 1 . . Ru
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 0 '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'
P P 0.1023 0.0942 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 118.8(11) ?
C2 C1 P1 118.9(9) ?
C6 C1 P1 122.3(10) ?
C1 C2 C3 120.9(12) ?
C1 C2 H2 119.6 ?
C3 C2 H2 119.5 ?
C4 C3 C2 120.2(14) ?
C4 C3 H3 119.9 ?
C2 C3 H3 119.9 ?
C5 C4 C3 119.8(13) ?
C5 C4 H4 120.1 ?
C3 C4 H4 120.1 ?
C4 C5 C6 120.2(12) ?
C4 C5 H5 119.9 ?
C6 C5 H5 119.9 ?
C5 C6 C1 120.2(12) ?
C5 C6 H6 119.9 ?
C1 C6 H6 119.9 ?
C12 C7 C8 118.4(11) ?
C12 C7 P1 118.7(9) ?
C8 C7 P1 122.9(9) ?
C9 C8 C7 120.5(12) ?
C9 C8 H8 119.8 ?
C7 C8 H8 119.8 ?
C10 C9 C8 120.3(13) ?
C10 C9 H9 119.9 ?
C8 C9 H9 119.8 ?
C11 C10 C9 119.9(13) ?
C11 C10 H10 120.0 ?
C9 C10 H10 120.1 ?
C10 C11 C12 120.4(13) ?
C10 C11 H11 119.8 ?
C12 C11 H11 119.8 ?
C11 C12 C7 120.6(12) ?
C11 C12 H12 119.7 ?
C7 C12 H12 119.7 ?
C14 C13 P1 110.2(7) ?
C14 C13 H13A 109.6 ?
P1 C13 H13A 109.6 ?
C14 C13 H13B 109.6 ?
P1 C13 H13B 109.6 ?
H13A C13 H13B 108.1 ?
C13 C14 P2 112.0(8) ?
C13 C14 H14A 109.2 ?
P2 C14 H14A 109.2 ?
C13 C14 H14B 109.2 ?
P2 C14 H14B 109.2 ?
H14A C14 H14B 107.9 ?
C20 C15 C16 118.2(11) ?
C20 C15 P2 122.7(10) ?
C16 C15 P2 119.0(9) ?
C17 C16 C15 121.0(12) ?
C17 C16 H16 119.5 ?
C15 C16 H16 119.5 ?
C16 C17 C18 119.9(14) ?
C16 C17 H17 120.1 ?
C18 C17 H17 120.1 ?
C19 C18 C17 119.9(13) ?
C19 C18 H18 120.1 ?
C17 C18 H18 120.0 ?
C18 C19 C20 120.9(13) ?
C18 C19 H19 119.6 ?
C20 C19 H19 119.6 ?
C19 C20 C15 120.1(13) ?
C19 C20 H20 120.0 ?
C15 C20 H20 119.9 ?
C26 C21 C22 118.1(11) ?
C26 C21 P2 121.0(9) ?
C22 C21 P2 120.9(9) ?
C23 C22 C21 121.0(12) ?
C23 C22 H22 119.5 ?
C21 C22 H22 119.5 ?
C22 C23 C24 120.4(12) ?
C22 C23 H23 119.8 ?
C24 C23 H23 119.8 ?
C25 C24 C23 119.3(12) ?
C25 C24 H24 120.3 ?
C23 C24 H24 120.3 ?
C24 C25 C26 120.4(12) ?
C24 C25 H25 119.8 ?
C26 C25 H25 119.8 ?
C25 C26 C21 120.9(11) ?
C25 C26 H26 119.6 ?
C21 C26 H26 119.6 ?
C28 C27 C32 118.9(11) ?
C28 C27 P3 120.5(9) ?
C32 C27 P3 120.7(9) ?
C29 C28 C27 120.5(12) ?
C29 C28 H28 119.7 ?
C27 C28 H28 119.8 ?
C30 C29 C28 120.5(12) ?
C30 C29 H29 119.8 ?
C28 C29 H29 119.8 ?
C29 C30 C31 119.2(12) ?
C29 C30 H30 120.4 ?
C31 C30 H30 120.4 ?
C30 C31 C32 120.7(12) ?
C30 C31 H31 119.7 ?
C32 C31 H31 119.7 ?
C31 C32 C27 120.2(12) ?
C31 C32 H32 119.9 ?
C27 C32 H32 119.9 ?
C38 C33 C34 118.2(11) ?
C38 C33 P3 120.8(9) ?
C34 C33 P3 120.9(9) ?
C35 C34 C33 120.7(12) ?
C35 C34 H34 119.6 ?
C33 C34 H34 119.6 ?
C36 C35 C34 120.0(12) ?
C36 C35 H35 120.0 ?
C34 C35 H35 120.0 ?
C35 C36 C37 120.5(13) ?
C35 C36 H36 119.8 ?
C37 C36 H36 119.7 ?
C36 C37 C38 119.9(13) ?
C36 C37 H37 120.1 ?
C38 C37 H37 120.1 ?
C33 C38 C37 120.7(12) ?
C33 C38 H38 119.6 ?
C37 C38 H38 119.6 ?
C40 C39 P3 107.0(7) ?
C40 C39 H39A 110.3 ?
P3 C39 H39A 110.3 ?
C40 C39 H39B 110.3 ?
P3 C39 H39B 110.3 ?
H39A C39 H39B 108.6 ?
C39 C40 P4 112.2(8) ?
C39 C40 H40A 109.2 ?
P4 C40 H40A 109.2 ?
C39 C40 H40B 109.2 ?
P4 C40 H40B 109.2 ?
H40A C40 H40B 107.9 ?
C42 C41 C46 117.5(12) ?
C42 C41 P4 121.0(10) ?
C46 C41 P4 121.5(10) ?
C41 C42 C43 121.0(13) ?
C41 C42 H42 119.5 ?
C43 C42 H42 119.5 ?
C44 C43 C42 120.9(15) ?
C44 C43 H43 119.5 ?
C42 C43 H43 119.5 ?
C45 C44 C43 119.3(15) ?
C45 C44 H44 120.3 ?
C43 C44 H44 120.3 ?
C44 C45 C46 120.7(15) ?
C44 C45 H45 119.7 ?
C46 C45 H45 119.7 ?
C45 C46 C41 120.5(14) ?
C45 C46 H46 119.7 ?
C41 C46 H46 119.7 ?
C52 C47 C48 117.9(12) ?
C52 C47 P4 121.4(9) ?
C48 C47 P4 120.6(10) ?
C49 C48 C47 120.5(14) ?
C49 C48 H48 119.7 ?
C47 C48 H48 119.8 ?
C50 C49 C48 120.3(15) ?
C50 C49 H49 119.9 ?
C48 C49 H49 119.9 ?
C49 C50 C51 120.6(14) ?
C49 C50 H50 119.7 ?
C51 C50 H50 119.7 ?
C50 C51 C52 119.7(15) ?
C50 C51 H51 120.2 ?
C52 C51 H51 120.2 ?
C51 C52 C47 121.0(13) ?
C51 C52 H52 119.5 ?
C47 C52 H52 119.5 ?
C54 C53 Ru1 177.3(11) yes
C53 C54 C55 175.3(14) yes
C56 C55 C54 177.8(15) yes
C55 C56 Si1 174.1(14) ?
Si1 C57 H57A 109.4 ?
Si1 C57 H57B 109.4 ?
H57A C57 H57B 109.5 ?
Si1 C57 H57C 109.6 ?
H57A C57 H57C 109.5 ?
H57B C57 H57C 109.5 ?
Si1 C58 H58A 109.4 ?
Si1 C58 H58B 109.5 ?
H58A C58 H58B 109.5 ?
Si1 C58 H58C 109.5 ?
H58A C58 H58C 109.5 ?
H58B C58 H58C 109.5 ?
Si1 C59 H59A 109.5 ?
Si1 C59 H59B 109.5 ?
H59A C59 H59B 109.5 ?
Si1 C59 H59C 109.5 ?
H59A C59 H59C 109.5 ?
H59B C59 H59C 109.5 ?
C61 C60 Ru1 177.0(11) yes
C60 C61 C62 170.7(13) yes
C63 C62 C61 178.9(15) yes
C62 C63 Si2 177.7(13) ?
Si2 C64 H64A 109.5 ?
Si2 C64 H64B 109.5 ?
H64A C64 H64B 109.5 ?
Si2 C64 H64C 109.5 ?
H64A C64 H64C 109.5 ?
H64B C64 H64C 109.5 ?
Si2 C65 H65A 109.5 ?
Si2 C65 H65B 109.5 ?
H65A C65 H65B 109.5 ?
Si2 C65 H65C 109.5 ?
H65A C65 H65C 109.5 ?
H65B C65 H65C 109.5 ?
Si2 C66 H66A 109.5 ?
Si2 C66 H66B 109.5 ?
H66A C66 H66B 109.5 ?
Si2 C66 H66C 109.5 ?
H66A C66 H66C 109.5 ?
H66B C66 H66C 109.5 ?
C56 Si1 C59 108.5(9) ?
C56 Si1 C58 109.6(9) ?
C59 Si1 C58 108.4(16) ?
C56 Si1 C57 109.2(8) ?
C59 Si1 C57 112.9(18) ?
C58 Si1 C57 108.2(10) ?
C63 Si2 C66 109.5(7) ?
C63 Si2 C64 107.3(7) ?
C66 Si2 C64 111.4(8) ?
C63 Si2 C65 109.9(7) ?
C66 Si2 C65 109.0(8) ?
C64 Si2 C65 109.8(8) ?
C13 P1 C1 101.9(5) ?
C13 P1 C7 104.2(6) ?
C1 P1 C7 102.5(5) ?
C13 P1 Ru1 105.0(4) ?
C1 P1 Ru1 121.6(4) ?
C7 P1 Ru1 119.1(4) ?
C21 P2 C15 102.4(5) ?
C21 P2 C14 102.5(5) ?
C15 P2 C14 100.9(5) ?
C21 P2 Ru1 120.4(4) ?
C15 P2 Ru1 118.8(4) ?
C14 P2 Ru1 109.0(4) ?
C33 P3 C27 102.0(5) ?
C33 P3 C39 98.7(5) ?
C27 P3 C39 103.5(5) ?
C33 P3 Ru1 123.6(4) ?
C27 P3 Ru1 120.3(4) ?
C39 P3 Ru1 104.9(4) ?
C47 P4 C41 101.4(6) ?
C47 P4 C40 103.4(5) ?
C41 P4 C40 100.2(5) ?
C47 P4 Ru1 116.0(4) ?
C41 P4 Ru1 124.6(4) ?
C40 P4 Ru1 108.4(4) ?
C53 Ru1 C60 174.2(4) yes
C53 Ru1 P1 91.5(3) ?
C60 Ru1 P1 86.3(3) ?
C53 Ru1 P2 91.5(3) ?
C60 Ru1 P2 82.9(3) ?
P1 Ru1 P2 82.76(11) ?
C53 Ru1 P3 82.4(3) ?
C60 Ru1 P3 99.8(3) ?
P1 Ru1 P3 173.93(10) ?
P2 Ru1 P3 97.77(11) ?
C53 Ru1 P4 87.1(3) ?
C60 Ru1 P4 98.4(3) ?
P1 Ru1 P4 97.05(11) ?
P2 Ru1 P4 178.66(11) ?
P3 Ru1 P4 82.28(11) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.381(17) ?
C1 C6 . 1.398(16) ?
C1 P1 . 1.837(12) ?
C2 C3 . 1.381(18) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.384(19) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.38(2) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.391(17) ?
C5 H5 . 0.9500 ?
C6 H6 . 0.9500 ?
C7 C12 . 1.396(16) ?
C7 C8 . 1.400(17) ?
C7 P1 . 1.834(12) ?
C8 C9 . 1.387(17) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.383(19) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.37(2) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.389(18) ?
C11 H11 . 0.9500 ?
C12 H12 . 0.9500 ?
C13 C14 . 1.521(16) ?
C13 P1 . 1.835(11) ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C14 P2 . 1.866(11) ?
C14 H14A . 0.9900 ?
C14 H14B . 0.9900 ?
C15 C20 . 1.400(16) ?
C15 C16 . 1.397(17) ?
C15 P2 . 1.830(12) ?
C16 C17 . 1.383(18) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.39(2) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.36(2) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.392(18) ?
C19 H19 . 0.9500 ?
C20 H20 . 0.9500 ?
C21 C26 . 1.394(16) ?
C21 C22 . 1.395(17) ?
C21 P2 . 1.828(11) ?
C22 C23 . 1.375(17) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.393(18) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.376(18) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.385(16) ?
C25 H25 . 0.9500 ?
C26 H26 . 0.9500 ?
C27 C28 . 1.388(16) ?
C27 C32 . 1.389(16) ?
C27 P3 . 1.841(12) ?
C28 C29 . 1.385(17) ?
C28 H28 . 0.9500 ?
C29 C30 . 1.383(18) ?
C29 H29 . 0.9500 ?
C30 C31 . 1.379(18) ?
C30 H30 . 0.9500 ?
C31 C32 . 1.388(17) ?
C31 H31 . 0.9500 ?
C32 H32 . 0.9500 ?
C33 C38 . 1.388(16) ?
C33 C34 . 1.402(16) ?
C33 P3 . 1.838(12) ?
C34 C35 . 1.380(17) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.373(19) ?
C35 H35 . 0.9500 ?
C36 C37 . 1.372(19) ?
C36 H36 . 0.9500 ?
C37 C38 . 1.390(18) ?
C37 H37 . 0.9500 ?
C38 H38 . 0.9500 ?
C39 C40 . 1.527(16) ?
C39 P3 . 1.852(11) ?
C39 H39A . 0.9900 ?
C39 H39B . 0.9900 ?
C40 P4 . 1.857(11) ?
C40 H40A . 0.9900 ?
C40 H40B . 0.9900 ?
C41 C42 . 1.380(18) ?
C41 C46 . 1.400(18) ?
C41 P4 . 1.837(13) ?
C42 C43 . 1.382(19) ?
C42 H42 . 0.9500 ?
C43 C44 . 1.37(2) ?
C43 H43 . 0.9500 ?
C44 C45 . 1.36(2) ?
C44 H44 . 0.9500 ?
C45 C46 . 1.39(2) ?
C45 H45 . 0.9500 ?
C46 H46 . 0.9500 ?
C47 C52 . 1.395(18) ?
C47 C48 . 1.408(17) ?
C47 P4 . 1.824(12) ?
C48 C49 . 1.384(19) ?
C48 H48 . 0.9500 ?
C49 C50 . 1.37(2) ?
C49 H49 . 0.9500 ?
C50 C51 . 1.38(2) ?
C50 H50 . 0.9500 ?
C51 C52 . 1.387(18) ?
C51 H51 . 0.9500 ?
C52 H52 . 0.9500 ?
C53 C54 . 1.179(17) yes
C53 Ru1 . 2.041(13) yes
C54 C55 . 1.395(18) yes
C55 C56 . 1.217(19) yes
C56 Si1 . 1.814(15) ?
C57 Si1 . 1.84(2) ?
C57 H57A . 0.9800 ?
C57 H57B . 0.9800 ?
C57 H57C . 0.9800 ?
C58 Si1 . 1.85(2) ?
C58 H58A . 0.9800 ?
C58 H58B . 0.9800 ?
C58 H58C . 0.9800 ?
C59 Si1 . 1.82(2) ?
C59 H59A . 0.9800 ?
C59 H59B . 0.9800 ?
C59 H59C . 0.9800 ?
C60 C61 . 1.099(17) yes
C60 Ru1 . 2.095(14) yes
C61 C62 . 1.444(18) yes
C62 C63 . 1.221(17) yes
C63 Si2 . 1.824(14) ?
C64 Si2 . 1.853(15) ?
C64 H64A . 0.9800 ?
C64 H64B . 0.9800 ?
C64 H64C . 0.9800 ?
C65 Si2 . 1.860(15) ?
C65 H65A . 0.9800 ?
C65 H65B . 0.9800 ?
C65 H65C . 0.9800 ?
C66 Si2 . 1.841(15) ?
C66 H66A . 0.9800 ?
C66 H66B . 0.9800 ?
C66 H66C . 0.9800 ?
P1 Ru1 . 2.352(3) yes
P2 Ru1 . 2.356(3) yes
P3 Ru1 . 2.362(3) yes
P4 Ru1 . 2.373(3) yes
