Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety
Kameo, Hajime; Nakazawa, Hiroshi; Organometallics 31 (2012) 7476–; doi:10.1021/om300762u

data_4079481
_publ_section_title
;
 Synthesis of a Rhodium Complex Featuring the Rh--H--B Linkage via a
 Hydride Migration from Rhodium to Borane: Study on the Electronic
 Deviation Induced by the Presence of the Boron Moiety
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              7476
_journal_paper_doi               10.1021/om300762u
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C75 H60 O3 P5 Rh3 '
_chemical_formula_sum            'C75 H60 O3 P5 Rh3'
_chemical_formula_weight         1472.88
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   35.4431(13)
_cell_length_b                   12.4199(5)
_cell_length_c                   14.3911(5)
_cell_measurement_reflns_used    17964
_cell_measurement_temperature    200.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     6335.0(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    Ortep-3(Farrugia,1997)
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      200.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       '\w or \f'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            47767
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.946
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2976.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.79
_refine_diff_density_min         -1.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     835
_refine_ls_number_reflns         14058
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0004Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                13129
_reflns_number_total             14056
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om300762u_si_003.cif
_cod_data_source_block           9
_cod_original_formula_sum        'C75 H60 O3 P5 Rh3 '
_cod_database_code               4079481