<i>catena</i>-Poly[bis[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a supramolecular framework <i>via</i> coordination bonds and supramolecular interactions
Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun; Acta Crystallographica Section C 65 (2009) m418–m421; doi:10.1107/S0108270109036488

data_2017396
_publ_section_title
;<i>catena</i>-Poly[bis[silver(I)-\m~2~-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a
 supramolecular framework <i>via</i> coordination bonds and supramolecular
 interactions
;
_journal_coeditor_code           LG3022
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m418
_journal_page_last               m421
_journal_paper_doi               10.1107/S0108270109036488
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag2 (C10 H8 N2)2] (C12 H6 O4) , 4H2 O'
_chemical_formula_moiety         'C20 H16 Ag2 N4 2+, C12 H6 O4 2-, 4H2 O'
_chemical_formula_sum            'C32 H30 Ag2 N4 O8'
_chemical_formula_weight         814.34
_chemical_name_systematic
;<i>catena</i>-Poly[bis[silver(I)-\m~2~-4,4'-bipyridine-\k^2^<i>N</i>,<i>N</i>']
naphthalene-2,6-dicarboxylate
 tetrahydrate]
;
_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           SHELXL97
_cell_angle_alpha                90.4600(10)
_cell_angle_beta                 94.9240(10)
_cell_angle_gamma                108.783(2)
_cell_formula_units_Z            1
_cell_length_a                   7.1444(3)
_cell_length_b                   9.6123(5)
_cell_length_c                   11.4228(5)
_cell_measurement_reflns_used    6972
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      54.89
_cell_measurement_theta_min      6.05
_cell_volume                     739.40(6)
_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 and publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S Ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6452
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.386
_exptl_absorpt_correction_T_max  0.8191
_exptl_absorpt_correction_T_min  0.7691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.684
_refine_diff_density_min         -0.804
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         2894
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0290
_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^)+(0.0392P)^2^+0.5020P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                2689
_reflns_number_total             2894
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lg3022.cif
_cod_data_source_block           I
_cod_depositor_comments
;

2019-12-01
Z value changed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            2
_cod_database_code               2017396
_cod_database_fobs_code          2017396