Bis[<i>N</i>'-(3-cyanobenzylidene)isonicotinohydrazide-κ<i>N</i>]silver(I) trifluoromethanesulfonate
Niu, Cao-Yuan; Zhang, Hai-Yan; Wan, Xin-Sheng; Acta Crystallographica Section E 65 (2009) m1285–; doi:10.1107/S1600536809039579

data_2223605
_publ_section_title
;
 Bis[<i>N</i>'-(3-cyanobenzylidene)isonicotinohydrazide-\k<i>N</i>]silver(I)
 trifluoromethanesulfonate
;
_journal_coeditor_code           BH2248
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1285
_journal_paper_doi               10.1107/S1600536809039579
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C14 H10 N4 O)2] C F3 S O3'
_chemical_formula_moiety         'C28 H20 Ag N8 O2 +, C F3 O3 S -'
_chemical_formula_sum            'C29 H20 Ag F3 N8 O5 S'
_chemical_formula_weight         757.46
_chemical_name_systematic
;
Bis[<i>N</i>'-(3-cyanobenzylidene)isonicotinohydrazide-\k<i>N</i>]silver(I)
trifluoromethanesulfonate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.895(4)
_cell_angle_beta                 89.918(4)
_cell_angle_gamma                81.355(4)
_cell_formula_units_Z            2
_cell_length_a                   7.5481(17)
_cell_length_b                   14.164(3)
_cell_length_c                   14.175(3)
_cell_measurement_reflns_used    2331
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.01
_cell_volume                     1497.2(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics
'SHELXL97 (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8251
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_T_max  0.8737
_exptl_absorpt_correction_T_min  0.7801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.870
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0603
_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^)+(0.0934P)^2^+1.7184P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1752
_reflns_number_gt                3857
_reflns_number_total             5461
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2248.cif
_cod_data_source_block           I
_cod_database_code               2223605
_cod_database_fobs_code          2223605