<i>catena</i>-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]: a three-dimensional metallo-supramolecular sandwich lamellar network
Wu, Dong-Liang; Liu, Li; Luo, Geng-Geng; Acta Crystallographica Section C 67 (2011) m311–m314; doi:10.1107/S0108270111032902

data_2018227
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-1,3-bis(4-pyridyl)propane]
 hemi(naphthalene-1,5-disulfonate) dihydrate]: a three-dimensional
 metallo-supramolecular sandwich lamellar network
;
_journal_coeditor_code           SQ3295
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m311
_journal_page_last               m314
_journal_paper_doi               10.1107/S0108270111032902
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C13 H14 N2)] (C10 H6 O6 S2)0.5 , 2H2 O'
_chemical_formula_moiety         'C18 H21 Ag N2 O5 S'
_chemical_formula_sum            'C18 H21 Ag N2 O5 S'
_chemical_formula_weight         485.30
_chemical_name_systematic
;
<i>catena</i>-Poly[[silver(I)-\m-1,3-bis(4-pyridyl)propane]
hemi(naphthalene-1,5-disulfonate) dihydrate]
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.55(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.640(2)
_cell_length_b                   9.2720(19)
_cell_length_c                   19.194(4)
_cell_measurement_reflns_used    15345
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      56.82
_cell_measurement_theta_min      5.50
_cell_volume                     1867.3(7)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_measurement_method       \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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13094
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.224
_exptl_absorpt_correction_T_max  0.8978
_exptl_absorpt_correction_T_min  0.8007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.548
_refine_diff_density_min         -0.938
_refine_ls_extinction_coef       0.0091(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3666
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0273P)^2^+1.4469P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                3398
_reflns_number_total             3666
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3295.cif
_cod_data_source_block           I
_cod_original_cell_volume        1867.4(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2018227
_cod_database_fobs_code          2018227