Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.
Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9902–9911; doi:10.1039/c6dt00052e

data_7038624
_publ_section_title
;
 Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H
 bonds.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9902
_journal_page_last               9911
_journal_paper_doi               10.1039/c6dt00052e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C47 H40 B N'
_chemical_formula_sum            'C47 H40 B N'
_chemical_formula_weight         537.47
_chemical_name_common            14
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-02-27 deposited with the CCDC.
2016-02-29 downloaded from the CCDC.
;
_cell_angle_alpha                70.2320(17)
_cell_angle_beta                 73.1203(19)
_cell_angle_gamma                85.9647(18)
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_cell_length_b                   12.1343(7)
_cell_length_c                   14.8636(9)
_cell_measurement_reflns_used    7776
_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      25.4075
_cell_measurement_theta_min      2.5535
_cell_volume                     1645.44(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
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_diffrn_ambient_temperature      148(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0578
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         26.369
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_platon_squeeze_details
;The unit cell contains 1 toluene molecule 
on an inversion center which has been treated as a 
diffuse contribution to the overall scattering 
without specific atom
positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         0.168
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0844
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.2245P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1167
_refine_ls_wR_factor_ref         0.1279
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_reflns_number_gt                4601
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7038621--7038625.cif.'
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_shelx_estimated_absorpt_t_max   0.992
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_platon_squeeze_void_probe_radius 1.20