Polysulfonylamines. CXX. Bis(tetrahydrothiophene-<i>S</i>)gold(I) benzene-1,2-disulfonimidate
Friedrichs, Steffi; Jones, Peter G.; Acta Crystallographica Section C 56 (2000) 56–57; doi:10.1107/S0108270199013086

data_2010511
_publ_section_title
;
 Polysulfonylamines. CXX. Bis(tetrahydrothiophene-<i>S</i>)gold(I)
 benzene-1,2-disulfonimidate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              56
_journal_page_last               57
_journal_paper_doi               10.1107/S0108270199013086
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Au (C4 H8 S1)2] (C6 H4 N O4 S2)'
_chemical_formula_moiety         'C8 H16 Au S2 1+, C6 H4 N O4 S2 -'
_chemical_formula_sum            'C14 H20 Au N O4 S4'
_chemical_formula_weight         591.52
_chemical_name_systematic
;
 Bis(tetrahydrothiophene)gold(I) (ortho-benzodisulfonyl)amide
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.992(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6943(16)
_cell_length_b                   11.7250(18)
_cell_length_c                   16.374(3)
_cell_measurement_reflns_used    53
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      11.35
_cell_measurement_theta_min      2.75
_cell_volume                     1845.5(5)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Fait, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'XP (Siemens, 1994b)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full .998
_diffrn_measured_fraction_theta_max .998
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .039
_diffrn_reflns_av_sigmaI/netI    .0652
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3205
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 247
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.443
_exptl_absorpt_correction_T_max  .509
_exptl_absorpt_correction_T_min  .382
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(XEMP; Siemens, 1994a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.129
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          .16
_exptl_crystal_size_mid          .12
_exptl_crystal_size_min          .08
_refine_diff_density_max         .51
_refine_diff_density_min         -.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .843
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         1619
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      .841
_refine_ls_R_factor_all          .044
_refine_ls_R_factor_gt           .029
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0108P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .044
_reflns_number_gt                1307
_reflns_number_total             1619
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm1354.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010511
_cod_database_fobs_code          2010511