<i>catena</i>-Poly[[(<i>p</i>-toluenesulfonato-κ<i>O</i>)silver(I)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']
Ma, Feng; Wei, Dai-Bao; Cao, Zhi-Min; Acta Crystallographica Section E 68 (2012) m611–m612; doi:10.1107/S1600536812015218

data_2234714
_publ_section_title
;
 <i>catena</i>-Poly[[(<i>p</i>-toluenesulfonato-\k<i>O</i>)silver(I)]-\m-1,3-bis(pyridin-4-yl)propane-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           LH5431
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m611
_journal_page_last               m612
_journal_paper_doi               10.1107/S1600536812015218
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag (C7 H7 O3 S) (C13 H14 N2)]'
_chemical_formula_moiety         'C20 H21 Ag N2 O3 S'
_chemical_formula_sum            'C20 H21 Ag N2 O3 S'
_chemical_formula_weight         477.33
_chemical_name_systematic
;
<i>catena</i>-Poly[[(<i>p</i>-toluenesulfonato-\k<i>O</i>)silver(I)]-
\m-1,3-bis(pyridin-4-yl)propane-\k^2^<i>N</i>:<i>N</i>']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 98.230(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8061(3)
_cell_length_b                   9.9466(3)
_cell_length_c                   18.4288(5)
_cell_measurement_reflns_used    4048
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8601
_cell_measurement_theta_min      2.7910
_cell_volume                     1960.40(10)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2010)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2010)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2010)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg & Putz, 2004)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Agilent Xcalibur Eos Gemini'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11169
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.80
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 1.0000
_diffrn_standards_interval_time  1.5000
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.659
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2010)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.554
_refine_ls_extinction_coef       0.0029(3)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0320P)^2^+1.9473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0750
_reflns_number_gt                2834
_reflns_number_total             3450
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5431.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2234714
_cod_database_fobs_code          2234714