Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative Method and Catalytic Activity toward Reactions of Propargylic Alcohols with Aromatic Compounds
Miyake, Yoshihiro; Endo, Satoshi; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki; Organometallics 27 (2008) 4017–; doi:10.1021/om8003465

data_4071732
_publ_section_title
;
 Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative
 Method and Catalytic Activity toward Reactions of Propargylic Alcohols
 with Aromatic Compounds
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4017
_journal_paper_doi               10.1021/om8003465
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C22 H36 Cl3 P Ru2 '
_chemical_formula_sum            'C22 H36 Cl3 P Ru2'
_chemical_formula_weight         640.00
_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                90.0000
_cell_angle_beta                 96.1559(17)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.8726(4)
_cell_length_b                   14.5203(7)
_cell_length_c                   19.0631(7)
_cell_measurement_reflns_used    28779
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.8
_cell_volume                     2441.79(18)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20078
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.638
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_correction_T_min  0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1288.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.66
_refine_diff_density_min         -2.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5555
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0041Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1789
_reflns_number_gt                4283
_reflns_number_total             5558
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om8003465-file003.cif
_cod_data_source_block           '_1a____________________'
_cod_original_formula_sum        'C22 H36 Cl3 P Ru2 '
_cod_database_code               4071732