The first use of the free selenimide Ph2SeNH as a synthon; the synthesis and X-ray crystal structure of [Ph2SeNSePh2][BPh4]
Elsegood, Mark R. J.; Kelly, Paul F.; Reid, Gillian; Staniland, Paul M.; Dalton Transactions  (2008) 3798–3800; doi:10.1039/b806066e

data_7004342
_publ_section_title
;
 The first use of the free selenimide Ph2Se&#xE001;NH as a synthon; the
 synthesis and X-ray crystal structure of [Ph2SeNSePh2][BPh4]
;
_journal_issue                   29
_journal_name_full               'Dalton Transactions'
_journal_page_first              3798
_journal_page_last               3800
_journal_paper_doi               10.1039/b806066e
_journal_year                    2008
_chemical_formula_moiety         'C24 H20 N Se2 1+, C24 H20 B 1-'
_chemical_formula_sum            'C48 H40 B N Se2'
_chemical_formula_weight         799.54
_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                85.7218(6)
_cell_angle_beta                 76.9512(6)
_cell_angle_gamma                71.9053(6)
_cell_formula_units_Z            4
_cell_length_a                   10.9985(4)
_cell_length_b                   15.9145(6)
_cell_length_c                   24.0519(10)
_cell_measurement_reflns_used    47134
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.20
_cell_volume                     3898.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            47137
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         31.87
_diffrn_reflns_theta_min         0.87
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.931
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2007/2, Sheldrick, G.M., (2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     937
_refine_ls_number_reflns         24038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+0.3801P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                17868
_reflns_number_total             24038
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b806066e.txt
_cod_data_source_block           pk105a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004342