A one-dimensional silver(I) coordination polymer based on the 2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol ligand exhibiting photoluminescence
Hu, Dong-Cheng; Xiao, Chao-Hu; Guo, Guo-Zhe; Yang, Yun-Xia; Liu, Jia-Cheng; Acta Crystallographica Section C 69 (2013) 356–359; doi:10.1107/S0108270113005817

data_2018935
_publ_section_title
;
 A one-dimensional silver(I) coordination polymer based on the
 2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol ligand
 exhibiting photoluminescence
;
_journal_coeditor_code           WQ3027
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              356
_journal_page_last               359
_journal_paper_doi               10.1107/S0108270113005817
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ag (C19 H15 N3 O)] Cl O4 , H2 O'
_chemical_formula_moiety         'C19 H15 Ag N3 O +, Cl O4 -, H2 O'
_chemical_formula_sum            'C19 H17 Ag Cl N3 O6'
_chemical_formula_weight         526.68
_chemical_name_systematic
;<i>catena</i>-Poly[[silver(I)-\m-{2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol-\k^2^<i>N</i>^2^:<i>N</i>^3^}] perchlorate
monohydrate]
;
_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                 103.851(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.739(3)
_cell_length_b                   21.260(7)
_cell_length_c                   9.952(3)
_cell_measurement_reflns_used    5048
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.32
_cell_volume                     2000.7(11)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII 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     0.71073
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10711
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.184
_exptl_absorpt_correction_T_max  0.8332
_exptl_absorpt_correction_T_min  0.7724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.682
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3712
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0383
_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^)+(0.0386P)^2^+2.8471P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                3023
_reflns_number_total             3712
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wq3027.cif
_cod_data_source_block           I
_cod_original_cell_volume        2000.8(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2018935
_cod_database_fobs_code          2018935