Accelerating Effect of a Proton on the Reduction of CO2 Dissolved in Water under Acidic Conditions. Isolation, Crystal Structure, and Reducing Ability of a Water-Soluble Ruthenium Hydride Complex
Hideki Hayashi; Seiji Ogo; Tsutomu Abura; Shunichi Fukuzumi; Journal of the American Chemical Society 125 (2003) 14266–14267; doi:10.1021/ja036117f

data_4114375
_publ_contact_author_address
;
    Department of Material and Life Science, Graduate School of Engineering,
 Osaka University, Suita 565-0871, Japan
;
_publ_contact_author_email       ' ogo@ap.chem.eng.osaka-u.ac.jp '
_publ_contact_author_fax         ' +81-6-6879-7370 '
_publ_contact_author_name        'Seiji Ogo'
_publ_contact_author_phone       ' +81-6-6879-4140 '
_publ_section_title
;
 Accelerating Effect of a Proton on the Reduction of CO2 Dissolved in
 Water under Acidic Conditions. Isolation, Crystal Structure, and Reducing
 Ability of a Water-Soluble Ruthenium Hydride Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14266
_journal_page_last               14267
_journal_paper_doi               10.1021/ja036117f
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C23 H27 F3 N2 O3 Ru S'
_chemical_formula_weight         569.60
_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'
_audit_creation_date             'Mon Jun 30 23:10:14 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 107.313(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.371(6)
_cell_length_b                   13.509(6)
_cell_length_c                   13.777(7)
_cell_measurement_reflns_used    5424
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2375.8(19)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_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 14.62
_diffrn_measured_fraction_theta_full 0.9967
_diffrn_measured_fraction_theta_max 0.9967
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19190
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.79
_refine_diff_density_min         -1.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     302
_refine_ls_number_reflns         5430
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.02500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                3757
_reflns_number_total             5430
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja036117fsi20031003_122459.cif
_cod_data_source_block           '_[(C6Me6)Ru(bpy)H]CF3SO3'
_cod_original_cell_volume        2375(1)
_cod_original_formula_sum        'C23 H27 F3 N2 O3 S Ru '
_cod_database_code               4114375