Tetraarylpentaborates, [B5O6Ar4]- (Ar = C6H4OMe-4, C6H3Me2-2,6): Their Formation from the Reaction of Arylboronic Acids with an Aryloxorhodium Complex, Structure, and Chemical Properties
Yasushi Nishihara; Kyoko Nara; Kohtaro Osakada; Inorganic Chemistry 41 (2002) 4090–4092; doi:10.1021/ic015630w

data_4318304
_publ_contact_author_address
;
Research Laboratory of Resources Utilization, Tokyo Institute of
Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503, Japan
;
_publ_contact_author_email       ' kosakada@res.titech.ac.jp '
_publ_contact_author_fax         ' +81-45-924-5224 '
_publ_contact_author_name        ' Kohtaro Osakada'
_publ_contact_author_phone       ' +81-45-924-5224 '
_publ_section_title
;
 Tetraarylpentaborates, [B5O6Ar4]- (Ar = C6H4OMe-4, C6H3Me2-2,6): Their
 Formation from the Reaction of Arylboronic Acids with an Aryloxorhodium
 Complex, Structure, and Chemical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4090
_journal_page_last               4092
_journal_paper_doi               10.1021/ic015630w
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C40 H64 B5 O10 P4 Rh'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7600(5)
_cell_length_b                   17.1675(5)
_cell_length_c                   19.8654(5)
_cell_measurement_reflns_used    58612
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     5033.7(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_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_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9932
_diffrn_measured_fraction_theta_max 0.9932
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       ?w
_diffrn_radiation_type           'Mo K?a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            39189
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.54
_refine_diff_density_min         -1.30
_refine_ls_abs_structure_Flack   0.63(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.691
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     542
_refine_ls_number_reflns         5268
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.0650
_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         0.0753
_reflns_number_gt                5268
_reflns_number_total             6299
_reflns_threshold_expression     F^2^>3.0?s(F^2^)
_cod_data_source_file            ic015630w_2.cif
_cod_data_source_block           form1
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C40 H64 B5 O10 P4 Rh '
_cod_database_code               4318304