<i>catena</i>-Poly[2-methylpyridinium [tungstate-di-μ-selenido-silver-di-μ-selenido] 2-methylpyridine monosolvate]
Zhou, Lu-Jun; Shi, Hua-Tian; Xu, Chao; Chen, Qun; Zhang, Qian-Feng; Acta Crystallographica Section E 69 (2013) m608–; doi:10.1107/S1600536813028213

data_2238825
_publ_section_title
;
 <i>catena</i>-Poly[2-methylpyridinium
 [tungstate-di-\m-selenido-silver-di-\m-selenido] 2-methylpyridine
 monosolvate]
;
_journal_coeditor_code           XU5746
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m608
_journal_paper_doi               10.1107/S1600536813028213
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C6 H8 N) [Ag W Se4], C6 H7 N'
_chemical_formula_moiety         'C6 H8 N +, Ag Se4 W -, C6 H7 N'
_chemical_formula_sum            'C12 H15 Ag N2 Se4 W'
_chemical_formula_weight         794.82
_chemical_name_systematic
;
<i>catena</i>-Poly[2-methylpyridinium
[tungstate-di-\m-selenido-silver-di-\m-selenido] 2-methylpyridine
monosolvate]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.962(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.859(2)
_cell_length_b                   5.9448(15)
_cell_length_c                   19.830(5)
_cell_measurement_reflns_used    1243
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.45
_cell_measurement_theta_min      2.64
_cell_volume                     909.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            5398
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         2.64
_exptl_absorpt_coefficient_mu    15.389
_exptl_absorpt_correction_T_max  0.6553
_exptl_absorpt_correction_T_min  0.2061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.902
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.863
_refine_diff_density_min         -1.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         2051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0357P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                1565
_reflns_number_total             2051
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5746.cif
_cod_data_source_block           I
_cod_original_cell_volume        909.5(4)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2238825