First example of B‒C bond cleavage in the BArF (B[C6H3(CF3)2-3,5]4) anion mediated by a transition metal species, trans-[(Ph3P)2Pt(Me)(OEt2)]+
Konze, Wayde V.; Scott, Brian L.; Kubas, Gregory J.; Chemical Communications  (1999) 1807–; doi:10.1039/a902274k

data_7110541
_publ_contact_author
;
Gregory J. Kubas
CST-18
MS J514
Los Alamos National Laboratory
Los Alamos, NM 87545 USA
;
_publ_section_title
;
 First example of B--C bond cleavage in the BArF (B[C6H3(CF3)2-3,5]4)
 anion mediated by a transition metal species,
 trans-[(Ph3P)2Pt(Me)(OEt2)]+
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              1807
_journal_paper_doi               10.1039/a902274k
_journal_year                    1999
_chemical_formula_sum            'C24 H9 B F18'
_chemical_formula_weight         650.12
_chemical_name_common
;
tris[3,5-bis(trifluoromethyl)phenyl]borane
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.544(2)
_cell_angle_beta                 110.146(1)
_cell_angle_gamma                97.299(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5433(9)
_cell_length_b                   11.656(1)
_cell_length_c                   12.775(1)
_cell_measurement_temperature    203(2)
_cell_volume                     1283.47(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0809
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4206
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.189
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             640
_exptl_crystal_preparation       'crystallized from benzene'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.346
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         4206
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0993P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1582
_refine_ls_wR_factor_ref         0.1820
_reflns_number_gt                2437
_reflns_number_total             4206
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            902274ksup1.cif
_cod_data_source_block           ccd209
_cod_original_cell_volume        1283.4(2)
_cod_database_code               7110541