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_4076238
_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         'C23 H38 Cl F3 O4 S Ru2 Se2 '
_chemical_formula_sum            'C23 H38 Cl F3 O4 Ru2 S Se2'
_chemical_formula_weight         863.12
_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'
_cell_angle_alpha                73.176(2)
_cell_angle_beta                 75.017(3)
_cell_angle_gamma                79.061(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7294(7)
_cell_length_b                   12.2300(7)
_cell_length_c                   15.5354(9)
_cell_measurement_reflns_used    8435
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.9
_cell_volume                     1521.71(18)
_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 0.9937
_diffrn_measured_fraction_theta_max 0.9844
_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  0.026
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14349
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    3.586
_exptl_absorpt_correction_T_max  0.699
_exptl_absorpt_correction_T_min  0.010
_exptl_absorpt_correction_type
;
\DF (DIFABS; Walker & Stuart, 1983)
;
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.493
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     277
_refine_ls_number_reflns         3446
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.0100
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0460
_reflns_number_gt                3446
_reflns_number_total             6888
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om034137ksi20030828_070301.cif
_cod_data_source_block           '_ru-se-syn________________'
_cod_original_cell_volume        1521.7(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C23 H38 Cl F3 O4 S Ru2 Se2 '
_cod_database_code               4076238