Hydrogen- and Oxygen-Driven Interconversion between Imido-Bridged Dirhodium(III) and Amido-Bridged Dirhodium(II) Complexes
Koji Ishiwata; Shigeki Kuwata; Takao Ikariya; Journal of the American Chemical Society 131 (2009) 5001–5009; doi:10.1021/ja900650j

data_4104144
_publ_contact_author_address
;
Department of Applied Chemistry, Graduate School of 
Science and Engineering, Tokyo Institute of Technology
O-okayama 2-12-1-S1-39, Meguro-ku, 
Tokyo 152-8552, Japan
;
_publ_contact_author_email       skuwata@apc.titech.ac.jp
_publ_contact_author_fax         +81-3-5734-2637
_publ_contact_author_name        'Shigeki Kuwata'
_publ_contact_author_phone       +81-3-5734-2150
_publ_section_title
;
 Hydrogen- and Oxygen-Driven Interconversion between Imido-Bridged
 Dirhodium(III) and Amido-Bridged Dirhodium(II) Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5001
_journal_page_last               5009
_journal_paper_doi               10.1021/ja900650j
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C41 H55 N3 O6 Rh2 S3 '
_chemical_formula_sum            'C41 H55 N3 O6 Rh2 S3'
_chemical_formula_weight         987.89
_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'
_audit_creation_date             2008-10-16
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                96.228(13)
_cell_angle_beta                 102.202(12)
_cell_angle_gamma                99.063(14)
_cell_formula_units_Z            2
_cell_length_a                   10.696(9)
_cell_length_b                   11.903(9)
_cell_length_c                   17.801(14)
_cell_measurement_reflns_used    7502
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.7
_cell_volume                     2164(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.801
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19711
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         31.50
_exptl_absorpt_coefficient_mu    0.954
_exptl_absorpt_correction_T_max  0.826
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1016.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.24
_refine_diff_density_min         -1.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     395
_refine_ls_number_reflns         9354
_refine_ls_R_factor_gt           0.1067
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0009Fo^2^ + 2.8000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2378
_reflns_number_gt                5884
_reflns_number_total             9395
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja900650j_si_002.cif
_cod_data_source_block           '__compound2'
_cod_original_formula_sum        'C41 H55 N3 O6 Rh2 S3 '
_cod_database_code               4104144