Conversion of Allylic Alcohols to Carbonyl Compounds Catalyzed by Alkoxy-Bridged Dinuclear Areneruthenium Complexes
Takai, Yasutomo; Kitaura, Ryo; Nakatani, Emi; Onishi, Takafumi; Kurosawa, Hideo; Organometallics 24 (2005) 4729–; doi:10.1021/om050442p

data_4076016
_publ_section_title
;
 Conversion of Allylic Alcohols to Carbonyl Compounds Catalyzed by
 Alkoxy-Bridged Dinuclear Areneruthenium Complexes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4729
_journal_paper_doi               10.1021/om050442p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C19 H25 B F4 O3 Ru2'
_chemical_formula_weight         590.35
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.026(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7662(8)
_cell_length_b                   13.470(1)
_cell_length_c                   15.950(2)
_cell_measurement_reflns_used    15783
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
_cell_volume                     2059.5(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 8.00
_diffrn_measured_fraction_theta_full 0.9651
_diffrn_measured_fraction_theta_max 0.9651
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17803
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.520
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.000
_refine_diff_density_max         2.31
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.853
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2730
_refine_ls_R_factor_gt           0.0794
_refine_ls_shift/su_max          1.5409
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                2730
_reflns_number_total             4564
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om050442psi20050602_101946.cif
_cod_data_source_block           kuroken
_cod_original_formula_sum        'C19 H25 B F4 O3 Ru2 '
_cod_database_code               4076016