(Disulfur dinitrido)triphenylantimony(V)
Slawin, Alexandra M. Z.; Waddell, Paul G.; Woollins, J. Derek; Acta Crystallographica Section E 66 (2010) m418–; doi:10.1107/S1600536810009487

data_2225609
_publ_section_title
;
 (Disulfur dinitrido)triphenylantimony(V)
;
_journal_coeditor_code           JH2136
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m418
_journal_paper_doi               10.1107/S1600536810009487
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sb (C6 H5)3 (N2 S2)]'
_chemical_formula_moiety         'C18 H15 N2 S2 Sb'
_chemical_formula_sum            'C18 H15 N2 S2 Sb'
_chemical_formula_weight         445.20
_chemical_name_systematic
;
(Disulfur dinitrido)triphenylantimony(V)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.732(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.997(3)
_cell_length_b                   11.587(2)
_cell_length_c                   18.166(3)
_cell_measurement_reflns_used    1987
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.14
_cell_volume                     3526.2(10)
_computing_cell_refinement       'SCXMini (Rigaku, 2006)'
_computing_data_collection       'SCXMini (Rigaku, 2006)'
_computing_data_reduction        'SCXMini (Rigaku, 2006)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2009)'
_computing_publication_material  'CrystalStructure (Rigaku, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku Mercury70 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11155
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.799
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1760.00
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.380
_refine_diff_density_min         -1.670
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.371
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3094
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0236P)^2^+20.1000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                2826
_reflns_number_total             3094
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            jh2136.cif
_cod_data_source_block           I
_cod_original_cell_volume        3526.3(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2225609
_cod_database_fobs_code          2225609