Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing Effect of Pyridylsilyl and Pyrimidylsilyl Groups and Isolation of Ru Complexes Relevant to Catalytic Reaction
Kenichiro Itami; Koichi Mitsudo; Kazuyoshi Fujita; Youichi Ohashi; Jun-ichi Yoshida; Journal of the American Chemical Society 126 (2004) 11058–11066; doi:10.1021/ja047484+

data_4112921
_publ_contact_author_email       itami@sbchem.kyoto-u.ac.jp
_publ_contact_author_fax         +81-75-383-2725
_publ_contact_author_name        'Kenichiro Itami'
_publ_contact_author_phone       +81-75-383-2730
_publ_section_title
;
 Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing
 Effect of Pyridylsilyl and Pyrimidylsilyl Groups and Isolation of Ru
 Complexes Relevant to Catalytic Reaction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11058
_journal_page_last               11066
_journal_paper_doi               10.1021/ja047484+
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C12 H13 N O3 Ru Si '
_chemical_formula_sum            'C12 H13 N O3 Ru Si'
_chemical_formula_weight         348.40
_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'
_audit_creation_date             2003-05-02
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                71.094(8)
_cell_angle_beta                 82.6320(3)
_cell_angle_gamma                73.3640(4)
_cell_formula_units_Z            2
_cell_length_a                   8.9301
_cell_length_b                   9.493(1)
_cell_length_c                   9.7181(1)
_cell_measurement_reflns_used    5969
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.4
_cell_volume                     746.20(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9062
_diffrn_measured_fraction_theta_max 0.9062
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5328
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.129
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.250
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.81
_refine_ls_extinction_coef       49.1(4)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.255
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     177
_refine_ls_number_reflns         2534
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                2534
_reflns_number_total             3101
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0474842Bsi20040506_121549.cif
_cod_data_source_block           '_mitsudo31________________'
_cod_original_cell_volume        746.20(7)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C12 H13 N O3 Ru Si '
_cod_database_code               4112921