A polymeric silver thiosaccarinate complex with a two-dimensional triply entangled mesh and argentophilic interactions
Dennehy, Mariana; Delgado, Fermín; Freire, Eleonora; Halac, Emilia; Baggio, Ricardo; Acta Crystallographica Section C 72 (2016) 572–577; doi:10.1107/S2053229616009645

data_2020538
_publ_section_title
;
 A polymeric silver thiosaccarinate complex with a two-dimensional triply
 entangled mesh and argentophilic interactions
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              572
_journal_page_last               577
_journal_paper_doi               10.1107/S2053229616009645
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Ag2 (C7 H4 N O2 S2)2 (C10 H8 N2)1.5]'
_chemical_formula_moiety         'C29 H20 Ag2 N5 O4 S4'
_chemical_formula_sum            'C29 H20 Ag2 N5 O4 S4'
_chemical_formula_weight         846.48
_chemical_name_systematic
Bis(\m~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-\k^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)bis(\m~2~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-\k^2^<i>S</i>^3^:<i>S</i>^3^)tetrasilver(I)]
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_angle_gamma                90
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_cell_length_b                   7.9565(2)
_cell_length_c                   24.8986(6)
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_cell_measurement_theta_min      3.7160
_cell_volume                     3008.52(13)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_data_reduction
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and <i>ToposPro</i> (Blatov <i>et al.</i>
(2014)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Oxford Diffraction Gemini CCD S Ultra'
_diffrn_measurement_method       '\w scans, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            8912
_diffrn_reflns_theta_full        25.250
_diffrn_reflns_theta_max         29.284
_diffrn_reflns_theta_min         3.566
_exptl_absorpt_coefficient_mu    1.625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            pale_yellow
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_exptl_crystal_description       plate
_exptl_crystal_F_000             1676
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -1.286
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8912
_refine_ls_number_restraints     403
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+36.2817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1713
_reflns_number_gt                7674
_reflns_number_total             8912
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            fn3217sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2020538.cif.'
_cod_database_code               2020538
_cod_database_fobs_code          2020538
_shelx_hkl_checksum              95064
_shelx_res_checksum              44590
_shelxl_version_number           2014/6