Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions
Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae; Organometallics 23 (2004) 26–; doi:10.1021/om034137k

data_4076237
_publ_section_title
;
 Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes
 and Their Catalytic Activities toward Propargylic Substitution Reactions
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              26
_journal_paper_doi               10.1021/om034137k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C22 H36 Cl2 Ru2 Se2 '
_chemical_formula_sum            'C22 H36 Cl2 Ru2 Se2'
_chemical_formula_weight         731.49
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.934(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5197(7)
_cell_length_b                   16.3652(7)
_cell_length_c                   18.388(1)
_cell_measurement_reflns_used    11145
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.1
_cell_volume                     2508.4(3)
_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    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9974
_diffrn_measured_fraction_theta_max 0.9973
_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  0.038
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10826
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.41
_exptl_absorpt_coefficient_mu    4.327
_exptl_absorpt_correction_T_max  0.649
_exptl_absorpt_correction_T_min  0.151
_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    1.937
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.45
_refine_ls_extinction_coef       88.5(3)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.549
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     182
_refine_ls_number_reflns         2003
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.2370
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0270
_reflns_number_gt                2003
_reflns_number_total             2949
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om034137ksi20030828_070206.cif
_cod_data_source_block           '_rusemecis________________'
_cod_original_cell_volume        2508.4(2)
_cod_original_formula_sum        'C22 H36 Cl2 Ru2 Se2 '
_cod_database_code               4076237