Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene
Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong; Acta Crystallographica Section C 73 (2017) 1017–1023; doi:10.1107/S2053229617013444

data_2020930
_publ_section_title
;
 Construction and photocatalytic properties of two metal-mediated
 coordination polymers based on benzene-1,3,5-tricarboxylic acid and
 <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene
;
_journal_coeditor_code           QS3065
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1017
_journal_page_last               1023
_journal_paper_doi               10.1107/S2053229617013444
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Ag (C9 H5 O6) (C12 H10 N2)]'
_chemical_formula_moiety         'C21 H15 Ag N2 O6'
_chemical_formula_sum            'C21 H15 Ag N2 O6'
_chemical_formula_weight         499.22
_chemical_name_systematic
<i>catena</i>-Poly[[(3,5-dicarboxybenzene-1-carboxylato-\k<i>O</i>^1^)silver(I)]-\m-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-\k^2^<i>N</i>:<i>N</i>']
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 100.95(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4981(17)
_cell_length_b                   17.669(4)
_cell_length_c                   12.658(3)
_cell_measurement_reflns_used    33713
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      3.052
_cell_volume                     1866.0(7)
_computing_cell_refinement
;
SMART (Bruker, 2001)
;
_computing_data_collection
;
SMART (Bruker, 2001)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2009)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33713
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.586
_diffrn_reflns_theta_min         2.829
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.353
_refine_diff_density_min         -1.027
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4283
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0330P)^2^+1.3733P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0692
_reflns_number_gt                3868
_reflns_number_total             4283
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            qs3065sup1.cif
_cod_data_source_block           I
_cod_database_code               2020930
_shelx_estimated_absorpt_t_min   0.868
_shelx_estimated_absorpt_t_max   0.915
_shelx_hkl_checksum              43650
_shelx_res_checksum              4929
_cod_database_fobs_code 2020930