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_4318303
_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            'C44 H72 B5 O6 P4 Rh'
_chemical_formula_weight         977.90
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.704(6)
_cell_length_b                   17.254(8)
_cell_length_c                   13.304(2)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      10.7
_cell_measurement_theta_min      9.3
_cell_volume                     5441(3)
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       ?w-2?q
_diffrn_orient_matrix_UB_11      -0.02045
_diffrn_orient_matrix_UB_12      -0.00031
_diffrn_orient_matrix_UB_13      -0.06574
_diffrn_orient_matrix_UB_21      -0.01756
_diffrn_orient_matrix_UB_22      -0.05092
_diffrn_orient_matrix_UB_23      0.01773
_diffrn_orient_matrix_UB_31      -0.03245
_diffrn_orient_matrix_UB_32      0.02768
_diffrn_orient_matrix_UB_33      0.03185
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K?a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00000
_diffrn_reflns_av_sigmaI/netI    0.072
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5326
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        0.48
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.470
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2056.00
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.53
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.639
_refine_ls_goodness_of_fit_ref   3.640
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.0300
_refine_ls_shift/su_mean         0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[?s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0500
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                3311
_reflns_number_total             5326
_reflns_threshold_expression     I>3.00?s(I)
_cod_data_source_file            ic015630w_1.cif
_cod_data_source_block           form2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        5441(2)
_cod_original_formula_sum        'C44 H72 B5 O6 P4 Rh '
_cod_database_code               4318303