<i>catena</i>-Poly[[[(acetonitrile-κ<i>N</i>)silver(I)]-μ-bis(pyrimidin-2-ylsulfanyl)methane-κ^2^<i>N</i>^1^:<i>N</i>^1'^] tetrafluoroborate]
Hou, Bao-Hong; Zhou, Li-Na; Wei, Hong-Yuan; Wang, Jing-Kang; Chen, Wei; Acta Crystallographica Section E 61 (2005) m1658–m1659; doi:10.1107/S1600536805019288

data_2206499
_publ_section_title
;<i>catena</i>-Poly[[[(acetonitrile-\k<i>N</i>)silver(I)]-\m-bis(pyrimidin-2-ylsulfanyl)methane-\k^2^<i>N</i>^1^:<i>N</i>^1'^]
 tetrafluoroborate]
;
_journal_coeditor_code           NG6148
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1658
_journal_page_last               m1659
_journal_paper_doi               10.1107/S1600536805019288
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ag (C9 H8 N4 S2) (C2 H3 N)] B F4'
_chemical_formula_moiety         'C11 H11 Ag N5 S2 +, B F4 -'
_chemical_formula_sum            'C11 H11 Ag B F4 N5 S2'
_chemical_formula_weight         472.05
_chemical_name_systematic
;
catena-Poly[[[(acetonitrile-\kN)silver(I)]-\m-[bis(pyrimidin-2-
ylsulfanyl)methane-\k^2^N^1^:N^1'^] tetrafluoroborate]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.7063(12)
_cell_length_b                   14.7402(16)
_cell_length_c                   24.965(2)
_cell_measurement_reflns_used    1758
_cell_measurement_temperature    292.0(10)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      2.85
_cell_volume                     3203.8(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            17366
_diffrn_reflns_theta_full        26.51
_diffrn_reflns_theta_max         26.51
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.565
_exptl_absorpt_correction_T_max  0.804
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.786
_refine_diff_density_min         -0.680
_refine_ls_extinction_coef       0.0078(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3322
_refine_ls_number_restraints     98
_refine_ls_restrained_S_all      1.216
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0431
_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^)+(0.0613P)^2^+2.423P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1273
_reflns_number_gt                2441
_reflns_number_total             3322
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng6148.cif
_cod_data_source_block           I
_cod_original_cell_volume        3203.9(6)
_cod_database_code               2206499
_cod_database_fobs_code          2206499