Simultaneous Tuning of Activity and Water Solubility of Complex Catalysts by Acid−Base Equilibrium of Ligands for Conversion of Carbon Dioxide
Himeda, Yuichiro; Onozawa-Komatsuzaki, Nobuko; Sugihara, Hideki; Kasuga, Kazuyuki; Organometallics 26 (2007) 702–; doi:10.1021/om060899e

data_4072641
_publ_section_title
;
 Simultaneous Tuning of Activity and Water Solubility of Complex Catalysts
 by Acid&#x2212;Base Equilibrium of Ligands for Conversion of Carbon
 Dioxide
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              702
_journal_paper_doi               10.1021/om060899e
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         '(C22 H26 Cl2 N2 O2 Ru),  (C1 H4 O)'
_chemical_formula_sum            'C23 H30 Cl2 N2 O3 Ru'
_chemical_formula_weight         554.48
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.75(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.404(5)
_cell_length_b                   13.017(3)
_cell_length_c                   13.027(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      17.23
_cell_measurement_theta_min      15.86
_cell_volume                     2391.3(13)
_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_measured_fraction_theta_full 1.0219
_diffrn_measured_fraction_theta_max 1.0219
_diffrn_measurement_device_type  'Max Science 4-circle diffractometer'
_diffrn_measurement_method       'theta/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6136
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columns
_exptl_crystal_F_000             1136.0
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.624
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5222
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.0014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0572
_reflns_number_gt                4769
_reflns_number_total             5607
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060899esi20061001_115335.cif
_cod_data_source_block           '[(C6Me6)Ru(4,4'-OH2-2,2'-bpy)Cl]Cl'
_cod_original_cell_volume        2391(1)
_cod_original_formula_sum        'C23 H30 Cl2 N2 O3 Ru '
_cod_database_code               4072641