A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine
Guo, Jun-Fang; Guo, Bing-Xin; Wu, Jiang-Yu; Yan, Guo-Ping; Acta Crystallographica Section C 69 (2013) 742–744; doi:10.1107/S010827011301559X

data_2019056
_publ_section_title
;
 A three-dimensional supramolecular framework of silver(I),
 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine
;
_journal_coeditor_code           SK3483
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              742
_journal_page_last               744
_journal_paper_doi               10.1107/S010827011301559X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Ag (C16 H10 N O2) (C10 H8 N2) (H2 O)] , 2H2 O'
_chemical_formula_moiety         'C26 H20 Ag N3 O3, 2(H2 O)'
_chemical_formula_sum            'C26 H24 Ag N3 O5'
_chemical_formula_weight         566.35
_chemical_name_systematic
'<i>catena</i>-Poly[[[aqua(2-phenylquinoline-4-carboxylato-\k<i>O</i>)silver(I)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>'] dihydrate]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 105.9870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4006(9)
_cell_length_b                   27.461(3)
_cell_length_c                   9.5349(9)
_cell_measurement_reflns_used    4054
_cell_measurement_temperature    151(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.25
_cell_volume                     2366.2(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      151(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            13019
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    0.895
_exptl_absorpt_correction_T_max  0.8774
_exptl_absorpt_correction_T_min  0.7877
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.984
_refine_diff_density_min         -0.421
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0405
_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^)+(0.0535P)^2^+0.3783P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0991
_reflns_number_gt                3708
_reflns_number_total             4645
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3483.cif
_cod_data_source_block           I
_cod_original_cell_volume        2366.3(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2019056
_cod_database_fobs_code          2019056