A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide
Anderson, Regan J.; Steel, Peter J.; Acta Crystallographica Section C 54 (1998) 223–225; doi:10.1107/S0108270197014911

data_2007043
_publ_section_title
;
 A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              223
_journal_page_last               225
_journal_paper_doi               10.1107/S0108270197014911
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Ag2 (C10 H8 N2 S)2 (N O3)2] , C2 H5 O H'
_chemical_formula_moiety         'C10 H8 Ag N3 O3 S, 0.5(C2 H6 O)'
_chemical_formula_sum            'C11 H11 Ag N3 O3.5 S'
_chemical_formula_weight         762.32
_chemical_name_common            'di-2-pyridyl sulfide silver nitrate dimer'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                83.7860(10)
_cell_angle_beta                 79.8790(10)
_cell_angle_gamma                77.3830(10)
_cell_formula_units_Z            1
_cell_length_a                   7.51310(10)
_cell_length_b                   9.1074(2)
_cell_length_c                   9.8983(2)
_cell_measurement_reflns_used    6563
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      2.10
_cell_volume                     648.93(2)
_computing_cell_refinement       'SAINT  (Siemens 1995)'
_computing_data_collection       'SMART (Siemens 1995)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXL93
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 8.19
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device       'Siemens SMART CCD'
_diffrn_measurement_method       'Exposures over 0.3\%  \f or \w rotation'
_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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6563
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_number         no
_exptl_absorpt_coefficient_mu    1.725
_exptl_absorpt_correction_T_max  0.827
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   'multi-scan (SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.613
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2490
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_restrained_S_obs      1.090
_refine_ls_R_factor_gt           0.0219
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
' w = 1/[\s^2^(Fo^2^)+(0.0305P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                2338
_reflns_number_total             2490
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ta1195.cif
_cod_data_source_block           regan
_cod_database_code               2007043