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_7024974
_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         'C26 H36 B N6 O3 Rh S '
_chemical_formula_sum            'C26 H36 B N6 O3 Rh S'
_chemical_formula_weight         626.38
_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                 102.7935(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.137(2)
_cell_length_b                   18.086(3)
_cell_length_c                   15.833(3)
_cell_measurement_reflns_used    9164
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.1
_cell_volume                     2830.7(9)
_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    SHELXS97
_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  0.030
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22692
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1296.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     509
_refine_ls_number_reflns         6749
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.0038
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0527
_reflns_number_gt                5550
_reflns_number_total             6749
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b923557d.txt
_cod_data_source_block           '__[TpsRhH(SC6H4-2-COOH)]_THF'
_cod_original_cell_volume        2830.6(10)
_cod_original_formula_sum        'C26 H36 B N6 O3 Rh S '
_cod_database_code               7024974