Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge
Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï; Journal of the American Chemical Society 126 (2004) 8189–8196; doi:10.1021/ja048501y

data_4112728
_publ_section_title
;
 Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with
 Fluoride: Formation of a Cation Containing a C-F\\rightarrowC Bridge
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8189
_journal_page_last               8196
_journal_paper_doi               10.1021/ja048501y
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C36 H26 B2 F8'
_chemical_formula_weight         632.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.633(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6581(15)
_cell_length_b                   10.4884(9)
_cell_length_c                   16.0575(13)
_cell_measurement_reflns_used    4254
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      2.28
_cell_volume                     2877.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13439
_diffrn_reflns_theta_full        23.99
_diffrn_reflns_theta_max         23.99
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    0.119
_exptl_absorpt_correction_T_max  0.7781
_exptl_absorpt_correction_T_min  0.4727
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_meas      0
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         4501
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0622
_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^)+(0.1079P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1711
_reflns_number_gt                3139
_reflns_number_total             4501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja048501ysi20040315_035647.cif
_cod_data_source_block           1
_cod_database_code               4112728