[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]
Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi; Organometallics 27 (2008) 918–; doi:10.1021/om701194e

data_4071000
_publ_section_title
;
 [Ru(xantsil)(CO)(\h6-toluene)]: Synthon for a Highly Unsaturated
 Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand
 [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              918
_journal_paper_doi               10.1021/om701194e
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C40 H48 O4 Ru2 Si4'
_chemical_formula_sum            'C40 H48 O4 Ru2 Si4'
_chemical_formula_weight         907.28
_chemical_name_common            'complex 10'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.4825(14)
_cell_angle_beta                 115.9243(10)
_cell_angle_gamma                109.649(3)
_cell_formula_units_Z            1
_cell_length_a                   10.3381(4)
_cell_length_b                   10.4244(6)
_cell_length_c                   10.4263(5)
_cell_measurement_reflns_used    11298
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      70.91
_cell_measurement_theta_min      4.48
_cell_volume                     922.64(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8263
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.35
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.991
_exptl_absorpt_correction_T_max  0.9074
_exptl_absorpt_correction_T_min  0.7554
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Higashi
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.807
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         4155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0749P)^2^+1.6258P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1265
_reflns_number_gt                3818
_reflns_number_total             4155
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om701194e-file003.cif
_cod_data_source_block           9
_cod_original_cell_volume        922.65(8)
_cod_database_code               4071000