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_4071733
_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         'C25 H40 Cl2 F3 O3 P Ru2 S '
_chemical_formula_sum            'C25 H40 Cl2 F3 O3 P Ru2 S'
_chemical_formula_weight         781.66
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   19.1907(4)
_cell_length_b                   19.1907(4)
_cell_length_c                   16.3113(4)
_cell_measurement_reflns_used    34454
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6007.2(2)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43603
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.351
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3152.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     495
_refine_ls_number_reflns         6881
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0970\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0497
_reflns_number_gt                5363
_reflns_number_total             6881
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om8003465-file003.cif
_cod_data_source_block           '_2b____________________'
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'C25 H40 Cl2 F3 O3 P Ru2 S '
_cod_database_code               4071733