Increasing the Lipophilic Character of Tetraphenylborate Anions through Silyl Substituents
van den Broeke, Joep; Lutz, Martin; Kooijman, Huub; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Organometallics 20 (2001) 2114–; doi:10.1021/om0009177

data_4077252
_publ_section_title
;
 Increasing the Lipophilic Character of Tetraphenylborate Anions through
 Silyl Substituents
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2114
_journal_paper_doi               10.1021/om0009177
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C52 H48 P4 Rh, C36 H52 B Si4'
_chemical_formula_sum            'C88 H100 B P4 Rh Si4'
_chemical_formula_weight         1507.64
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.5775(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.7259(2)
_cell_length_b                   20.1809(2)
_cell_length_c                   16.4196(2)
_cell_measurement_temperature    150(2)
_cell_volume                     4847.49(10)
_computing_cell_refinement       'DENZO 1.11.0'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'DENZO 1.11.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0758
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            96384
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    0.328
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.033
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.049(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constraint
_refine_ls_matrix_type           full
_refine_ls_number_parameters     992
_refine_ls_number_reflns         22082
_refine_ls_number_restraints     229
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                19688
_reflns_number_total             22082
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om0009177.cif
_cod_data_source_block           s2181b
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4077252