Poly[[{μ~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole)}silver(I)] perchlorate sesquihydrate]
Li, Jia-Jia; Zhu, Wei-Min; Acta Crystallographica Section E 68 (2012) m845–; doi:10.1107/S1600536812022957

data_2235229
_publ_section_title
;
 Poly[[{\m~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole)}silver(I)]
 perchlorate sesquihydrate]
;
_journal_coeditor_code           RZ2753
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m845
_journal_paper_doi               10.1107/S1600536812022957
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag (C8 H10 N4 S4)] Cl O4, 1.5H2 O'
_chemical_formula_moiety         'C8 H10 Ag N4 S4 +, Cl O4 -, 1.5(H2 O)'
_chemical_formula_sum            'C8 H13 Ag Cl N4 O5.5 S4'
_chemical_formula_weight         524.79
_chemical_name_systematic
;
Poly[[{\m~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-
thiadiazole)}silver(I)] perchlorate sesquihydrate]
;
_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                92.02(2)
_cell_angle_beta                 119.727(14)
_cell_angle_gamma                94.20(2)
_cell_formula_units_Z            2
_cell_length_a                   10.076(12)
_cell_length_b                   10.08(2)
_cell_length_c                   10.137(12)
_cell_measurement_reflns_used    954
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      19.49
_cell_measurement_theta_min      2.32
_cell_volume                     889(2)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0745
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6708
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.783
_exptl_absorpt_correction_T_max  0.9402
_exptl_absorpt_correction_T_min  0.6241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.961
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.746
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         3237
_refine_ls_number_restraints     236
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1104
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0596P)^2^+0.9001P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                1834
_reflns_number_total             3237
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2753.cif
_cod_data_source_block           I
_cod_original_cell_volume        889(3)
_cod_database_code               2235229