<i>catena</i>-Poly[[silver(I)-μ-bis{2-[(<i>E</i>)-phenyldiazenyl]-1<i>H</i>-imidazol-1-yl}methane] trifluoromethanesulfonate]
Wang, Tao; Xu, Ji-Jun; Jin, Chuan-Ming; Acta Crystallographica Section E 67 (2011) m1424–m1425; doi:10.1107/S1600536811035951

data_2231933
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-bis{2-[(<i>E</i>)-phenyldiazenyl]-1<i>H</i>-imidazol-1-yl}methane]
 trifluoromethanesulfonate]
;
_journal_coeditor_code           IM2314
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1424
_journal_page_last               m1425
_journal_paper_doi               10.1107/S1600536811035951
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C19 H16 N8)] (C F3 S O3)'
_chemical_formula_moiety         'C19 H16 Ag N8 +, C F3 O3 S -'
_chemical_formula_sum            'C20 H16 Ag F3 N8 O3 S'
_chemical_formula_weight         613.34
_chemical_name_systematic
;
<i>catena</i>-Poly[[silver(I)-\m-bis{2-[(<i>E</i>)-phenyldiazenyl]-
1<i>H</i>-imidazol-1-yl}methane] trifluoromethanesulfonate]
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0251(19)
_cell_length_b                   8.4550(10)
_cell_length_c                   17.293(2)
_cell_measurement_reflns_used    4016
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.42
_cell_measurement_theta_min      2.36
_cell_volume                     2343.1(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11674
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    1.014
_exptl_absorpt_correction_T_max  0.9054
_exptl_absorpt_correction_T_min  0.8794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.083
_refine_diff_density_min         -0.541
_refine_ls_abs_structure_details 'Flack (1983), 1807  Friedel pairs'
_refine_ls_abs_structure_Flack   0.54(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4823
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0908P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1591
_refine_ls_wR_factor_ref         0.1666
_reflns_number_gt                4073
_reflns_number_total             4823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            im2314.cif
_cod_data_source_block           I
_cod_original_cell_volume        2343.0(5)
_cod_database_code               2231933
_cod_database_fobs_code          2231933