Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN 1](nitrato-κ2 O,O′)silver(I)
Crundwell, Guy; Ellis, Kristin M.; IUCrData 8 (2023) x230265–; doi:10.1107/S2414314623002651

data_1569106
_publ_section_title
;
 Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-\kN 1](nitrato-\k2
 O,O&#x2032;)silver(I)
;
_journal_coeditor_code           BT4136
_journal_issue                   3
_journal_name_full               IUCrData
_journal_page_first              x230265
_journal_paper_doi               10.1107/S2414314623002651
_journal_volume                  8
_journal_year                    2023
_chemical_formula_iupac          '[Ag (N O3) (C17 H12 N2 S2)2]'
_chemical_formula_moiety         'C34 H24 Ag N5 O3 S4'
_chemical_formula_sum            'C34 H24 Ag N5 O3 S4'
_chemical_formula_weight         786.69
_chemical_name_common
;
Bis-(2,3-di(thiophen-2'-yl)-5-methylquinoxaline)silver(I) nitrate
;
_chemical_name_systematic
Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-\k<i>N</i>^1^](nitrato-\k^2^<i>O</i>,<i>O</i>')silver(I)
_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                 120.967(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9246(10)
_cell_length_b                   8.9789(4)
_cell_length_c                   22.2776(13)
_cell_measurement_reflns_used    3173
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.6540
_cell_measurement_theta_min      4.5270
_cell_volume                     3245.9(4)
_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) and
ORTEP-3 for Windows (Farrugia, 2012)
;
_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_detector                 CCD
_diffrn_detector_area_resol_mean 16.1790
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            11880
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         33.50
_diffrn_reflns_theta_min         4.14
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.459
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         5743
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0412
_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^)+(0.0440P)^2^+0.9845P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                3896
_reflns_number_total             5743
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt4136.cif
_cod_data_source_block           I
_cod_original_cell_volume        3245.9(3)
_cod_database_code               1569106