Carbon−Hydrogen Bond Cleavage Reaction in 5-Coordinate Bis(2,6-dimethylbenzenethiolato)ruthenium(II) Complexes
Hirano, Masafumi; Togashi, Sayaka; Ito, Muneaki; Sakaguchi, Yuko; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 29 (2010) 3146–; doi:10.1021/om100249s

data_4066016
_publ_section_title
;
 Carbon&#x2212;Hydrogen Bond Cleavage Reaction in 5-Coordinate
 Bis(2,6-dimethylbenzenethiolato)ruthenium(II) Complexes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3146
_journal_paper_doi               10.1021/om100249s
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C46 H51 P3 S2 Ru '
_chemical_formula_sum            'C46 H51 P3 Ru S2'
_chemical_formula_weight         862.02
_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'
_cell_angle_alpha                90
_cell_angle_beta                 107(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2(2)
_cell_length_b                   24.1(3)
_cell_length_c                   14.8(2)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    270.2
_cell_measurement_theta_max      15.9
_cell_measurement_theta_min      14.4
_cell_volume                     4502(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    DirectMethod
_diffrn_measured_fraction_theta_full 0.9821
_diffrn_measured_fraction_theta_max 0.9821
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11081
_diffrn_reflns_theta_full        27.76
_diffrn_reflns_theta_max         27.76
_diffrn_standards_decay_%        0.86
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.711
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.23
_refine_diff_density_min         -1.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7487
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00250|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0715
_reflns_number_gt                7487
_reflns_number_total             10373
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om100249s_si_002.cif
_cod_data_source_block           complex2a
_cod_original_cell_volume        4477(100)
_cod_original_formula_sum        'C46 H51 P3 S2 Ru '
_cod_database_code               4066016