N-triphenylboryl- and N,N'-bis(triphenylboryl)benzo-2,1,3-telluradiazole.
Cozzolino, Anthony F; Bain, Alex D; Hanhan, Stephanie; Vargas-Baca, Ignacio; Chemical communications (Cambridge, England) 34 (2009) 4043–4045; doi:10.1039/b904713a

data_7104599
_publ_section_title
;
 N-triphenylboryl- and
 N,N'-bis(triphenylboryl)benzo-2,1,3-telluradiazole.
;
_journal_issue                   27
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4043
_journal_page_last               4045
_journal_paper_doi               10.1039/b904713a
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C42 H34 B2 N2 Te'
_chemical_formula_sum            'C42 H34 B2 N2 Te'
_chemical_formula_weight         715.93
_chemical_melting_point          430
_chemical_name_common
'N, N'-bis(triphenylboryl)- benzo-2,1,3-telluradiazole'
_chemical_name_systematic
'N, N'-bis(triphenylboryl)- benzo-2,1,3-telluradiazole'
_chemical_properties_physical    moisture-sensitive
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 106.256(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0123(7)
_cell_length_b                   15.2679(6)
_cell_length_c                   17.828(1)
_cell_measurement_reflns_used    10745
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.25
_cell_measurement_theta_min      1.79
_cell_volume                     3400.3(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'WINGX (Farrugia, 1999)'
_computing_publication_material  'WINGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_pressure         101.3
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      ' 222 frames, detector distance = 100 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2407
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41888
_diffrn_reflns_theta_full        24.69
_diffrn_reflns_theta_max         24.69
_diffrn_reflns_theta_min         1.63
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.00
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.9514
_exptl_absorpt_correction_T_min  0.8690
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-RED32 (Stoe & Cie, 2002)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1448
_exptl_crystal_recrystallization_method
'crystallized from acetonitrile/bromobenzene solution at 239 K'
_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.054
_refine_diff_density_max         2.813
_refine_diff_density_min         -1.465
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.564
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         41888
_refine_ls_number_restraints     250
_refine_ls_restrained_S_all      0.563
_refine_ls_R_factor_all          0.1428
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.003
_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          0.0504
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                15197
_reflns_number_total             41888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b904713a.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7104599