Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]
Liebing, Phil; IUCrData 2 (2017) x170921–; doi:10.1107/S241431461700921X

data_1546731
_publ_section_title
;
 Di-\m-chlorido-bis[bis(tetrahydrothiophene-\k<i>S</i>)silver(I)]
;
_journal_coeditor_code           BT4051
_journal_issue                   6
_journal_name_full               IUCrData
_journal_page_first              x170921
_journal_paper_doi               10.1107/S241431461700921X
_journal_volume                  2
_journal_year                    2017
_chemical_formula_iupac          '[Ag2 Cl2 (C4 H8 S2)4]'
_chemical_formula_moiety         'C16 H32 Ag2 Cl2 S4'
_chemical_formula_sum            'C16 H32 Ag2 Cl2 S4'
_chemical_formula_weight         639.29
_chemical_name_systematic
;
Di-\m-chlorido-bis[bis(tetrahydrothiophene-\k<i>S</i>)silver(I)]
;
_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   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                114.710(9)
_cell_angle_beta                 102.121(10)
_cell_angle_gamma                92.239(11)
_cell_formula_units_Z            1
_cell_length_a                   6.1921(8)
_cell_length_b                   9.9443(13)
_cell_length_c                   10.3761(12)
_cell_measurement_reflns_used    5660
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.189
_cell_measurement_theta_min      3.966
_cell_volume                     561.66(13)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_reduction
;
X-AREA and X-RED (Stoe & Cie, 2002)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR97 (Altamore et al., 1999)
;
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0939
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3765
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         3.966
_exptl_absorpt_coefficient_mu    2.352
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(X-AREA and X-RED; Stoe & Cie, 2002)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_description       needle
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.391
_refine_diff_density_min         -1.526
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.875
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1954
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.875
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0669P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                1314
_reflns_number_total             1954
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bt4051sup1.cif
_cod_data_source_block           I
_cod_database_code               1546731
_shelx_estimated_absorpt_t_min   0.386
_shelx_estimated_absorpt_t_max   0.891
_shelx_hkl_checksum              88565
_shelx_res_checksum              87767
_cod_database_fobs_code 1546731