Heterolytic H2 activation by rhodium thiolato complexes bearing the hydrotris(pyrazolyl)borato ligand and application to catalytic hydrogenation under mild conditions.
Seino, Hidetake; Misumi, Yoshiyuki; Hojo, Yoshihiro; Mizobe, Yasushi; Dalton transactions (Cambridge, England : 2003) 39 (2010) 3072–3082; doi:10.1039/b923557d

data_7024973
_publ_section_title
;
 Heterolytic H2 activation by rhodium thiolato complexes bearing the
 hydrotris(pyrazolyl)borato ligand and application to catalytic
 hydrogenation under mild conditions.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3072
_journal_page_last               3082
_journal_paper_doi               10.1039/b923557d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C21 H33 B I2 N7 O Rh '
_chemical_formula_sum            'C21 H33 B I2 N7 O Rh'
_chemical_formula_weight         767.06
_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             2009-08-09
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.916(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.9782(15)
_cell_length_b                   13.431(3)
_cell_length_c                   26.285(5)
_cell_measurement_reflns_used    8328
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     2789.7(10)
_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_ambient_temperature      113.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            33333
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_exptl_absorpt_coefficient_mu    2.851
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1488.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.35
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6665
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.0019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0011Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1166
_reflns_number_gt                5803
_reflns_number_total             6664
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b923557d.txt
_cod_data_source_block           '__[TpMe2RhI2(MeCN)]-THF'
_cod_original_cell_volume        2789.8(9)
_cod_original_formula_sum        'C21 H33 B I2 N7 O Rh '
_cod_database_code               7024973