Mechanistic investigation of CO2 hydrogenation by Ru(II) and Ir(III) aqua complexes under acidic conditions: two catalytic systems differing in the nature of the rate determining step.
Ogo, Seiji; Kabe, Ryota; Hayashi, Hideki; Harada, Ryosuke; Fukuzumi, Shunichi; Dalton transactions (Cambridge, England : 2003)  (2006) 4657–4663; doi:10.1039/b607993h

data_7007639
_publ_section_title
;
 Mechanistic investigation of CO2 hydrogenation by Ru(II) and Ir(III)
 aqua complexes under acidic conditions: two catalytic systems
 differing in the nature of the rate determining step.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4657
_journal_page_last               4663
_journal_paper_doi               10.1039/b607993h
_journal_year                    2006
_chemical_formula_sum            'C24 H29 F6 Ir N2 O9 S2'
_chemical_formula_weight         859.83
_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                79.809(10)
_cell_angle_beta                 88.37(1)
_cell_angle_gamma                63.842(8)
_cell_formula_units_Z            2
_cell_length_a                   8.645(2)
_cell_length_b                   11.453(3)
_cell_length_c                   17.937(5)
_cell_measurement_reflns_used    5566
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1566.5(7)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  'teXsan Ver. 2.0'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9495
_diffrn_measured_fraction_theta_max 0.9495
_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  0.021
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12269
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.493
_exptl_absorpt_correction_T_max  0.743
_exptl_absorpt_correction_T_min  0.306
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             844.00
_exptl_crystal_size_max          0.460
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.23
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6804
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05100(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                6201
_reflns_number_total             6804
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b607993h.txt
_cod_data_source_block           '_Cp^Ir4OMebpyAqua_Tf'
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C24 H29 F6 Ir N2 O9 S2 '
_cod_database_code               7007639