#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/72/4077217.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_4077217
loop_
_publ_author_name
'Shima, Takanori'
'Ito, Jun-ichi'
'Suzuki, Hiroharu'
_publ_contact_author
;
    Hiroharu Suzuki
    Department of Applied Chemistry 
    Graduate School of Science and Engineering
    Tokyo Institute of Technology and CREST
    O-okayama Meguro-ku Tokyo
    152-8552 Japan
;
_publ_section_title
;
 Synthesis, Characterization, and Structure Determination of the
 Heterobimetallic Polyhydride Complexes (C5Me5)Ru(μ-H)3MH3(C5Me5) (M =
 Mo, W) Containing Group VI and Group VIII Metals
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              10
_journal_paper_doi               10.1021/om000769k
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C20 H36 Ru W '
_chemical_formula_sum            'C20 H36 Ru W'
_chemical_formula_weight         561.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Wed Sep  7 11:52:45 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 101.14(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.070(3)
_cell_length_b                   19.196(5)
_cell_length_c                   14.320(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     2176.5(12)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      -0.08067
_diffrn_orient_matrix_UB_12      0.00806
_diffrn_orient_matrix_UB_13      0.04385
_diffrn_orient_matrix_UB_21      -0.05065
_diffrn_orient_matrix_UB_22      -0.04704
_diffrn_orient_matrix_UB_23      -0.01630
_diffrn_orient_matrix_UB_31      0.08293
_diffrn_orient_matrix_UB_32      -0.02088
_diffrn_orient_matrix_UB_33      0.05364
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_av_sigmaI/netI    0.054
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5514
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        -6.20
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.978
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1096.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.96
_refine_diff_density_min         -1.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.339
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     0
_refine_ls_number_reflns         3595
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0391
_refine_ls_shift/esd_max         0.0000
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00005|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0472
_reflns_number_observed          3595
_reflns_number_total             5162
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            om000769k.cif
_cod_data_source_block           RUWH6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00005|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00005|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2176(1)
_cod_original_sg_symbol_H-M      'P 21/n       '
_cod_original_formula_sum        'C20 H36 Ru W '
_cod_database_code               4077217
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_thermal_displace_type
_atom_site_calc_flag
_atom_site_occupancy
W(1) 0.03713(4) 0.10911(2) 0.32362(2) 0.04317(9) Uani d 1.00
Ru(1) 0.17823(8) 0.21231(3) 0.41436(4) 0.0415(2) Uani d 1.00
C(1) 0.198(1) 0.2805(4) 0.5365(6) 0.053(3) Uani d 1.00
C(2) 0.167(1) 0.3206(4) 0.4526(7) 0.068(3) Uani d 1.00
C(3) 0.307(1) 0.3102(5) 0.4049(6) 0.071(3) Uani d 1.00
C(4) 0.418(1) 0.2638(6) 0.4596(7) 0.069(3) Uani d 1.00
C(5) 0.353(1) 0.2459(4) 0.5411(6) 0.051(2) Uani d 1.00
C(6) 0.092(1) 0.2774(7) 0.6135(8) 0.105(5) Uani d 1.00
C(7) 0.020(2) 0.3688(6) 0.424(1) 0.136(5) Uani d 1.00
C(8) 0.332(2) 0.3465(8) 0.3182(9) 0.168(7) Uani d 1.00
C(9) 0.584(1) 0.2416(8) 0.439(1) 0.157(7) Uani d 1.00
C(10) 0.440(2) 0.1997(6) 0.6198(8) 0.100(4) Uani d 1.00
C(11) 0.162(1) -0.0002(5) 0.3353(6) 0.057(3) Uani d 1.00
C(12) 0.2419(10) 0.0407(5) 0.2751(7) 0.057(3) Uani d 1.00
C(13) 0.119(1) 0.0559(4) 0.1933(6) 0.056(3) Uani d 1.00
C(14) -0.033(1) 0.0241(4) 0.2035(6) 0.052(3) Uani d 1.00
C(15) -0.006(1) -0.0110(4) 0.2911(6) 0.054(3) Uani d 1.00
C(16) 0.250(2) -0.0332(7) 0.4265(8) 0.119(5) Uani d 1.00
C(17) 0.423(1) 0.0594(7) 0.2920(10) 0.118(5) Uani d 1.00
C(18) 0.145(2) 0.0948(6) 0.1066(8) 0.114(5) Uani d 1.00
C(19) -0.192(1) 0.0234(7) 0.1299(8) 0.105(4) Uani d 1.00
C(20) -0.133(2) -0.0572(5) 0.3253(9) 0.104(5) Uani d 1.00
C(30) 0.2885 0.2842 0.4788 0.0507 Uiso d 1.00
C(31) 0.0970 0.0219 0.2596 0.0507 Uiso d 1.00
H(1) 0.1770 0.1273 0.4311 0.0762 Uiso calc 1.00
H(2) -0.0286 0.1904 0.3735 0.0762 Uiso calc 1.00
H(3) 0.1903 0.1816 0.3145 0.0762 Uiso calc 1.00
H(4) -0.1295 0.0797 0.3770 0.0762 Uiso calc 1.00
H(5) -0.0977 0.0970 0.2894 0.0762 Uiso calc 1.00
H(6) -0.0853 0.1363 0.2706 0.0762 Uiso calc 1.00
loop_
_atom_type_symbol
_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 80 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 144 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Ru 0 4 -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
W 0 4 -0.849 6.872
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 -3 7
0 -4 6
-1 9 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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ru(1) W(1) C(11) 121.8(3) 1_555 1_555 1_555 yes
Ru(1) W(1) C(12) 108.6(2) 1_555 1_555 1_555 yes
Ru(1) W(1) C(13) 125.9(3) 1_555 1_555 1_555 yes
Ru(1) W(1) C(14) 160.3(3) 1_555 1_555 1_555 yes
Ru(1) W(1) C(15) 154.6(3) 1_555 1_555 1_555 yes
Ru(1) W(1) H(1) 40.76(2) 1_555 1_555 1_555 no
Ru(1) W(1) H(2) 42.81(2) 1_555 1_555 1_555 no
Ru(1) W(1) H(3) 38.43(2) 1_555 1_555 1_555 no
Ru(1) W(1) H(4) 109.58(2) 1_555 1_555 1_555 no
Ru(1) W(1) H(5) 133.48(3) 1_555 1_555 1_555 no
Ru(1) W(1) H(6) 95.69(2) 1_555 1_555 1_555 no
C(11) W(1) C(12) 35.8(3) 1_555 1_555 1_555 yes
C(11) W(1) C(13) 58.8(3) 1_555 1_555 1_555 yes
C(11) W(1) C(14) 58.0(3) 1_555 1_555 1_555 yes
C(11) W(1) C(15) 34.7(3) 1_555 1_555 1_555 yes
C(11) W(1) H(1) 85.2(3) 1_555 1_555 1_555 no
C(11) W(1) H(2) 153.2(2) 1_555 1_555 1_555 no
C(11) W(1) H(3) 113.2(3) 1_555 1_555 1_555 no
C(11) W(1) H(4) 91.9(3) 1_555 1_555 1_555 no
C(11) W(1) H(5) 102.4(3) 1_555 1_555 1_555 no
C(11) W(1) H(6) 127.7(2) 1_555 1_555 1_555 no
C(12) W(1) C(13) 35.5(3) 1_555 1_555 1_555 yes
C(12) W(1) C(14) 58.6(3) 1_555 1_555 1_555 yes
C(12) W(1) C(15) 58.7(3) 1_555 1_555 1_555 yes
C(12) W(1) H(1) 89.9(3) 1_555 1_555 1_555 no
C(12) W(1) H(2) 150.6(2) 1_555 1_555 1_555 no
C(12) W(1) H(3) 83.0(3) 1_555 1_555 1_555 no
C(12) W(1) H(4) 126.8(3) 1_555 1_555 1_555 no
C(12) W(1) H(5) 116.1(2) 1_555 1_555 1_555 no
C(12) W(1) H(6) 101.9(3) 1_555 1_555 1_555 no
C(13) W(1) C(14) 34.9(3) 1_555 1_555 1_555 yes
C(13) W(1) C(15) 58.2(3) 1_555 1_555 1_555 yes
C(13) W(1) H(1) 123.7(3) 1_555 1_555 1_555 no
C(13) W(1) H(2) 146.0(2) 1_555 1_555 1_555 no
C(13) W(1) H(3) 88.6(3) 1_555 1_555 1_555 no
C(13) W(1) H(4) 124.4(3) 1_555 1_555 1_555 no
C(13) W(1) H(5) 87.7(3) 1_555 1_555 1_555 no
C(13) W(1) H(6) 69.9(2) 1_555 1_555 1_555 no
C(14) W(1) C(15) 34.7(3) 1_555 1_555 1_555 yes
C(14) W(1) H(1) 143.0(2) 1_555 1_555 1_555 no
C(14) W(1) H(2) 145.5(2) 1_555 1_555 1_555 no
C(14) W(1) H(3) 121.9(3) 1_555 1_555 1_555 no
C(14) W(1) H(4) 89.9(2) 1_555 1_555 1_555 no
C(14) W(1) H(5) 57.6(2) 1_555 1_555 1_555 no
C(14) W(1) H(6) 74.4(2) 1_555 1_555 1_555 no
C(15) W(1) H(1) 114.2(3) 1_555 1_555 1_555 no
C(15) W(1) H(2) 149.5(2) 1_555 1_555 1_555 no
C(15) W(1) H(3) 141.4(2) 1_555 1_555 1_555 no
C(15) W(1) H(4) 71.1(2) 1_555 1_555 1_555 no
C(15) W(1) H(5) 67.7(3) 1_555 1_555 1_555 no
C(15) W(1) H(6) 108.1(3) 1_555 1_555 1_555 no
H(1) W(1) H(2) 71.10(2) 1_555 1_555 1_555 no
H(1) W(1) H(3) 66.14(2) 1_555 1_555 1_555 no
H(1) W(1) H(4) 95.64(3) 1_555 1_555 1_555 no
H(1) W(1) H(5) 145.39(3) 1_555 1_555 1_555 no
H(1) W(1) H(6) 135.84(2) 1_555 1_555 1_555 no
H(2) W(1) H(3) 68.98(2) 1_555 1_555 1_555 no
H(2) W(1) H(4) 78.59(2) 1_555 1_555 1_555 no
H(2) W(1) H(5) 90.95(3) 1_555 1_555 1_555 no
H(2) W(1) H(6) 79.03(2) 1_555 1_555 1_555 no
H(3) W(1) H(4) 146.40(2) 1_555 1_555 1_555 no
H(3) W(1) H(5) 135.48(3) 1_555 1_555 1_555 no
H(3) W(1) H(6) 73.21(2) 1_555 1_555 1_555 no
H(4) W(1) H(5) 50.92(2) 1_555 1_555 1_555 no
H(4) W(1) H(6) 109.69(3) 1_555 1_555 1_555 no
H(5) W(1) H(6) 63.92(2) 1_555 1_555 1_555 no
W(1) Ru(1) C(1) 148.1(3) 1_555 1_555 1_555 yes
W(1) Ru(1) C(2) 148.2(3) 1_555 1_555 1_555 yes
W(1) Ru(1) C(3) 145.6(3) 1_555 1_555 1_555 yes
W(1) Ru(1) C(4) 143.7(3) 1_555 1_555 1_555 yes
W(1) Ru(1) C(5) 145.1(3) 1_555 1_555 1_555 yes
W(1) Ru(1) H(1) 44.08(2) 1_555 1_555 1_555 no
W(1) Ru(1) H(2) 46.86(2) 1_555 1_555 1_555 no
W(1) Ru(1) H(3) 48.31(2) 1_555 1_555 1_555 no
C(1) Ru(1) C(2) 38.1(4) 1_555 1_555 1_555 yes
C(1) Ru(1) C(3) 64.1(4) 1_555 1_555 1_555 yes
C(1) Ru(1) C(4) 63.7(4) 1_555 1_555 1_555 yes
C(1) Ru(1) C(5) 37.7(3) 1_555 1_555 1_555 yes
C(1) Ru(1) H(1) 118.9(3) 1_555 1_555 1_555 no
C(1) Ru(1) H(2) 109.9(2) 1_555 1_555 1_555 no
C(1) Ru(1) H(3) 162.9(3) 1_555 1_555 1_555 no
C(2) Ru(1) C(3) 39.0(4) 1_555 1_555 1_555 yes
C(2) Ru(1) C(4) 64.1(4) 1_555 1_555 1_555 yes
C(2) Ru(1) C(5) 63.8(4) 1_555 1_555 1_555 yes
C(2) Ru(1) H(1) 156.3(4) 1_555 1_555 1_555 no
C(2) Ru(1) H(2) 103.5(3) 1_555 1_555 1_555 no
C(2) Ru(1) H(3) 127.3(3) 1_555 1_555 1_555 no
C(3) Ru(1) C(4) 37.7(4) 1_555 1_555 1_555 yes
C(3) Ru(1) C(5) 63.8(4) 1_555 1_555 1_555 yes
C(3) Ru(1) H(1) 152.5(4) 1_555 1_555 1_555 no
C(3) Ru(1) H(2) 129.5(4) 1_555 1_555 1_555 no
C(3) Ru(1) H(3) 98.9(3) 1_555 1_555 1_555 no
C(4) Ru(1) C(5) 38.4(4) 1_555 1_555 1_555 yes
C(4) Ru(1) H(1) 116.3(4) 1_555 1_555 1_555 no
C(4) Ru(1) H(2) 166.7(4) 1_555 1_555 1_555 no
C(4) Ru(1) H(3) 103.6(3) 1_555 1_555 1_555 no
C(5) Ru(1) H(1) 101.1(3) 1_555 1_555 1_555 no
C(5) Ru(1) H(2) 142.2(3) 1_555 1_555 1_555 no
C(5) Ru(1) H(3) 137.1(3) 1_555 1_555 1_555 no
H(1) Ru(1) H(2) 76.93(3) 1_555 1_555 1_555 no
H(1) Ru(1) H(3) 76.34(3) 1_555 1_555 1_555 no
H(2) Ru(1) H(3) 79.86(3) 1_555 1_555 1_555 no
Ru(1) C(1) C(2) 70.5(6) 1_555 1_555 1_555 yes
Ru(1) C(1) C(5) 71.6(5) 1_555 1_555 1_555 yes
Ru(1) C(1) C(6) 126.1(7) 1_555 1_555 1_555 yes
C(2) C(1) C(5) 108.8(9) 1_555 1_555 1_555 yes
C(2) C(1) C(6) 126(1) 1_555 1_555 1_555 yes
C(5) C(1) C(6) 124(1) 1_555 1_555 1_555 yes
Ru(1) C(2) C(1) 71.4(5) 1_555 1_555 1_555 yes
Ru(1) C(2) C(3) 71.0(6) 1_555 1_555 1_555 yes
Ru(1) C(2) C(7) 126.3(8) 1_555 1_555 1_555 yes
C(1) C(2) C(3) 107.4(9) 1_555 1_555 1_555 yes
C(1) C(2) C(7) 125(1) 1_555 1_555 1_555 yes
C(3) C(2) C(7) 126(1) 1_555 1_555 1_555 yes
Ru(1) C(3) C(2) 70.0(6) 1_555 1_555 1_555 yes
Ru(1) C(3) C(4) 71.0(6) 1_555 1_555 1_555 yes
Ru(1) C(3) C(8) 127.2(8) 1_555 1_555 1_555 yes
C(2) C(3) C(4) 107.6(9) 1_555 1_555 1_555 yes
C(2) C(3) C(8) 127(1) 1_555 1_555 1_555 yes
C(4) C(3) C(8) 125(1) 1_555 1_555 1_555 yes
Ru(1) C(4) C(3) 71.3(6) 1_555 1_555 1_555 yes
Ru(1) C(4) C(5) 71.2(5) 1_555 1_555 1_555 yes
Ru(1) C(4) C(9) 126.0(8) 1_555 1_555 1_555 yes
C(3) C(4) C(5) 108.5(10) 1_555 1_555 1_555 yes
C(3) C(4) C(9) 124(1) 1_555 1_555 1_555 yes
C(5) C(4) C(9) 126(1) 1_555 1_555 1_555 yes
Ru(1) C(5) C(1) 70.8(5) 1_555 1_555 1_555 yes
Ru(1) C(5) C(4) 70.3(5) 1_555 1_555 1_555 yes
Ru(1) C(5) C(10) 125.5(7) 1_555 1_555 1_555 yes
C(1) C(5) C(4) 107.7(9) 1_555 1_555 1_555 yes
C(1) C(5) C(10) 127(1) 1_555 1_555 1_555 yes
C(4) C(5) C(10) 125(1) 1_555 1_555 1_555 yes
W(1) C(11) C(12) 72.2(5) 1_555 1_555 1_555 yes
W(1) C(11) C(15) 74.5(5) 1_555 1_555 1_555 yes
W(1) C(11) C(16) 124.9(8) 1_555 1_555 1_555 yes
C(12) C(11) C(15) 108.8(9) 1_555 1_555 1_555 yes
C(12) C(11) C(16) 124(1) 1_555 1_555 1_555 yes
C(15) C(11) C(16) 126(1) 1_555 1_555 1_555 yes
W(1) C(12) C(11) 72.0(5) 1_555 1_555 1_555 yes
W(1) C(12) C(13) 72.5(5) 1_555 1_555 1_555 yes
W(1) C(12) C(17) 122.9(7) 1_555 1_555 1_555 yes
C(11) C(12) C(13) 106.6(8) 1_555 1_555 1_555 yes
C(11) C(12) C(17) 127(1) 1_555 1_555 1_555 yes
C(13) C(12) C(17) 125(1) 1_555 1_555 1_555 yes
W(1) C(13) C(12) 72.0(5) 1_555 1_555 1_555 yes
W(1) C(13) C(14) 73.9(5) 1_555 1_555 1_555 yes
W(1) C(13) C(18) 123.5(7) 1_555 1_555 1_555 yes
C(12) C(13) C(14) 108.4(8) 1_555 1_555 1_555 yes
C(12) C(13) C(18) 126(1) 1_555 1_555 1_555 yes
C(14) C(13) C(18) 125(1) 1_555 1_555 1_555 yes
W(1) C(14) C(13) 71.3(5) 1_555 1_555 1_555 yes
W(1) C(14) C(15) 72.9(5) 1_555 1_555 1_555 yes
W(1) C(14) C(19) 124.4(7) 1_555 1_555 1_555 yes
C(13) C(14) C(15) 108.3(9) 1_555 1_555 1_555 yes
C(13) C(14) C(19) 124(1) 1_555 1_555 1_555 yes
C(15) C(14) C(19) 127(1) 1_555 1_555 1_555 yes
W(1) C(15) C(11) 70.8(6) 1_555 1_555 1_555 yes
W(1) C(15) C(14) 72.5(5) 1_555 1_555 1_555 yes
W(1) C(15) C(20) 126.0(7) 1_555 1_555 1_555 yes
C(11) C(15) C(14) 107.9(8) 1_555 1_555 1_555 yes
C(11) C(15) C(20) 126(1) 1_555 1_555 1_555 yes
C(14) C(15) C(20) 125(1) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W(1) Ru(1) 2.5176(8) 1_555 1_555 yes
W(1) C(11) 2.320(10) 1_555 1_555 yes
W(1) C(12) 2.323(9) 1_555 1_555 yes
W(1) C(13) 2.330(9) 1_555 1_555 yes
W(1) C(14) 2.363(9) 1_555 1_555 yes
W(1) C(15) 2.368(9) 1_555 1_555 yes
W(1) H(1) 1.758 1_555 1_555 no
W(1) H(2) 1.837 1_555 1_555 no
W(1) H(3) 1.883 1_555 1_555 no
W(1) H(4) 1.762 1_555 1_555 no
W(1) H(5) 1.127 1_555 1_555 no
W(1) H(6) 1.603 1_555 1_555 no
Ru(1) C(1) 2.166(9) 1_555 1_555 yes
Ru(1) C(2) 2.155(10) 1_555 1_555 yes
Ru(1) C(3) 2.168(10) 1_555 1_555 yes
Ru(1) C(4) 2.164(10) 1_555 1_555 yes
Ru(1) C(5) 2.176(9) 1_555 1_555 yes
Ru(1) H(1) 1.650 1_555 1_555 no
Ru(1) H(2) 1.711 1_555 1_555 no
Ru(1) H(3) 1.567 1_555 1_555 no
C(1) C(2) 1.41(1) 1_555 1_555 yes
C(1) C(5) 1.40(1) 1_555 1_555 yes
C(1) C(6) 1.57(1) 1_555 1_555 yes
C(2) C(3) 1.44(2) 1_555 1_555 yes
C(2) C(7) 1.52(2) 1_555 1_555 yes
C(3) C(4) 1.40(2) 1_555 1_555 yes
C(3) C(8) 1.50(2) 1_555 1_555 yes
C(4) C(5) 1.43(1) 1_555 1_555 yes
C(4) C(9) 1.53(2) 1_555 1_555 yes
C(5) C(10) 1.53(1) 1_555 1_555 yes
C(11) C(12) 1.43(1) 1_555 1_555 yes
C(11) C(15) 1.40(1) 1_555 1_555 yes
C(11) C(16) 1.54(1) 1_555 1_555 yes
C(12) C(13) 1.42(1) 1_555 1_555 yes
C(12) C(17) 1.51(1) 1_555 1_555 yes
C(13) C(14) 1.41(1) 1_555 1_555 yes
C(13) C(18) 1.52(1) 1_555 1_555 yes
C(14) C(15) 1.41(1) 1_555 1_555 yes
C(14) C(19) 1.53(1) 1_555 1_555 yes
C(15) C(20) 1.53(1) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
W(1) Ru(1) 2.5176(8) 1_555 1_555
C(8) C(15) 3.54(2) 1_555 2_555
