Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) tetrafluoridoborate
Crundwell, Guy; Acta Crystallographica Section E 69 (2013) m164–; doi:10.1107/S1600536813004510

data_2237589
_publ_section_title
;
 Bis[2-(thiophen-2-yl)quinoxaline-\k<i>N</i>^4^]silver(I)
 tetrafluoridoborate
;
_journal_coeditor_code           ZS2248
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m164
_journal_paper_doi               10.1107/S1600536813004510
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ag (C12 H8 N2 S)2] B F4'
_chemical_formula_moiety         'C24 H16 Ag N4 S2 +, B F4 -'
_chemical_formula_sum            'C24 H16 Ag B F4 N4 S2'
_chemical_formula_weight         619.21
_chemical_melting_point          395
_chemical_name_systematic
;
Bis[2-(thiophen-2-yl)quinoxaline-\k<i>N</i>^4^]silver(I) tetrafluoridoborate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 102.991(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.1249(19)
_cell_length_b                   13.1972(16)
_cell_length_c                   13.739(2)
_cell_measurement_reflns_used    7201
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.3756
_cell_measurement_theta_min      4.2471
_cell_volume                     2495.5(6)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2009)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1790
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Sapphire3 CCD'
_diffrn_measurement_method       '\w 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  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0297
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30081
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         33.43
_diffrn_reflns_theta_min         4.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2009)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.682
_refine_diff_density_min         -0.507
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         4624
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0544
_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^)+(0.1425P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1864
_refine_ls_wR_factor_ref         0.2036
_reflns_number_gt                2670
_reflns_number_total             4624
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2248.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2237589
_cod_database_fobs_code          2237589