Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex. Effect of a Chalcogen Anchor on the Bond Cleavage Reaction
Hirano, Masafumi; Sakaguchi, Yuko; Yajima, Toshiaki; Kurata, Naoki; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 24 (2005) 4799–; doi:10.1021/om0504598

data_4076022
_publ_section_title
;
 Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions
 ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex.
 Effect of a Chalcogen Anchor on the Bond Cleavage Reaction
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4799
_journal_paper_doi               10.1021/om0504598
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C22 H38 P2 Ru S'
_chemical_formula_weight         497.62
_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'
_cell_angle_alpha                98.8(2)
_cell_angle_beta                 90.0(3)
_cell_angle_gamma                89.8(2)
_cell_formula_units_Z            4
_cell_length_a                   14.64(4)
_cell_length_b                   19.22(5)
_cell_length_c                   8.59(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      14.6
_cell_volume                     2389(12)
_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 0.3763
_diffrn_measured_fraction_theta_max 0.3763
_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  0.036
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4115
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_standards_decay_%        11.73
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.882
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.56
_refine_diff_density_min         -1.15
_refine_ls_abs_structure_Flack   0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.247
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     239
_refine_ls_number_reflns         2979
_refine_ls_R_factor_gt           0.0747
_refine_ls_shift/su_max          4.4990
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00723|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1127
_reflns_number_gt                2979
_reflns_number_total             4103
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om0504598si20050607_045002.cif
_cod_data_source_block           SKGKRT
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C22 H38 P2 S Ru '
_cod_database_code               4076022