A New Methodology for Synthesis of Aryl Bismuth Compounds: Arylation of Bismuth(III) Carboxylates by Sodium Tetraarylborate Salts
Stavila, Vitalie; Thurston, John H.; Prieto-Centurión, Darío; Whitmire, Kenton H.; Organometallics 26 (2007) 6864–; doi:10.1021/om7009667

data_4074085
_publ_section_title
;
 A New Methodology for Synthesis of Aryl Bismuth Compounds: Arylation of
 Bismuth(III) Carboxylates by Sodium Tetraarylborate Salts
;
_journal_issue                   27
_journal_name_full               Organometallics
_journal_page_first              6864
_journal_paper_doi               10.1021/om7009667
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C21 H21 Bi'
_chemical_formula_sum            'C21 H21 Bi'
_chemical_formula_weight         482.36
_chemical_melting_point          118
_chemical_name_systematic
; 
 ? 
;
_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                87.57(3)
_cell_angle_beta                 89.38(3)
_cell_angle_gamma                73.17(3)
_cell_formula_units_Z            2
_cell_length_a                   6.4272(13)
_cell_length_b                   10.630(2)
_cell_length_c                   14.087(3)
_cell_measurement_reflns_used    1892
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      35.555
_cell_measurement_theta_min      5.038
_cell_volume                     920.4(4)
_computing_cell_refinement       'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_data_collection       'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_data_reduction        'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_molecular_graphics    'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_publication_material  'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.888
_diffrn_measured_fraction_theta_max 0.888
_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  0.0673
_diffrn_reflns_av_sigmaI/netI    0.2641
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10242
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    9.573
_exptl_absorpt_correction_T_max  0.46875
_exptl_absorpt_correction_T_min  0.36902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Scheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       0.00110(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.428
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         4095
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.428
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0272
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                1477
_reflns_number_total             4095
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7009667-file002.cif
_cod_data_source_block           1corr
_cod_original_cell_volume        920.4(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074085