Bis[2-(thiophen-2-yl)quinoxaline-κN 4]silver(I) perchlorate
Crundwell, Guy; IUCrData 8 (2023) x230246–; doi:10.1107/S2414314623002468

data_1569105
_publ_section_title
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 Bis[2-(thiophen-2-yl)quinoxaline-\kN 4]silver(I) perchlorate
;
_journal_coeditor_code           BT4134
_journal_issue                   3
_journal_name_full               IUCrData
_journal_page_first              x230246
_journal_paper_doi               10.1107/S2414314623002468
_journal_volume                  8
_journal_year                    2023
_chemical_formula_iupac          '[Ag (C12 H8 N2 S1)2] Cl O4'
_chemical_formula_moiety         'C24 H16 Ag N4 S2 +, Cl O4 -'
_chemical_formula_sum            'C24 H16 Ag Cl N4 O4 S2'
_chemical_formula_weight         631.85
_chemical_name_systematic
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Bis[2-(thiophen-2-yl)quinoxaline-\k<i>N</i>^4^]silver(I) perchlorate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.930(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.8739(8)
_cell_length_b                   10.6344(4)
_cell_length_c                   7.6425(4)
_cell_measurement_reflns_used    5344
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.3487
_cell_measurement_theta_min      4.1416
_cell_volume                     2391.58(17)
_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
;
Olex2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
Olex2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Xcalibur CCD, Sapphire3'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13270
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         32.35
_diffrn_reflns_theta_min         4.15
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.170
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPRO; Agilent, 2014)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3957
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0301
_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^)+(0.0428P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                2441
_reflns_number_total             3957
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt4134.cif
_cod_data_source_block           I
_cod_database_code               1569105