Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
Assoumatine, Tokouré; Stoeckli-Evans, Helen; Acta Crystallographica Section E 76 (2020) 539–546; doi:10.1107/S205698902000362X

data_2243320
_publ_section_title
;
 Silver(I) nitrate two-dimensional coordination polymers of two new
 pyrazinethiophane ligands:
 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine
 and
 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
;
_journal_coeditor_code           LH5951
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              539
_journal_page_last               546
_journal_paper_doi               10.1107/S205698902000362X
_journal_volume                  76
_journal_year                    2020
_chemical_formula_moiety         '[C12 H16 N2 S4]AgNO3'
_chemical_formula_sum            'C12 H16 Ag N3 O3 S4'
_chemical_formula_weight         486.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90
_cell_angle_beta                 90.446(10)
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_cell_length_a                   7.0777(6)
_cell_length_b                   12.0654(7)
_cell_length_c                   19.5725(18)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.89
_cell_measurement_theta_min      2.08
_cell_volume                     1671.3(2)
_computing_cell_refinement
;
CELL in IPDS1 (Stoe & Cie, 1998)
;
_computing_data_collection
;
EXPOSE in IPDS1 (Stoe & Cie, 1998)
;
_computing_data_reduction
;
INTEGRATE in IPDS1 (Stoe & Cie, 1998)
;
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;
Mercury (Macrae <i>et al.</i>,  2020)
;
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;
<i>SHELXL-2018/3</i> (Sheldrick, 2015), PLATON (Spek, 2020) and
publcif (Westrip, 2010)
;
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;
<i>SHELXL-2018/3</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS-97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'image plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       '1 circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 1'
_diffrn_measurement_method       '\f rotation'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0540
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_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
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_exptl_absorpt_correction_T_max  1.0000
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_exptl_absorpt_process_details
;
(MULABS; Spek, 2020)
;
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_exptl_crystal_density_diffrn    1.933
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
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_refine_diff_density_min         -0.417
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.848
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0293
_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^)+(0.0288P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0586
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5951sup1.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2243320
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_shelx_estimated_absorpt_t_max   0.875
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