A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence
Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun; Acta Crystallographica Section C 73 (2017) 72–77; doi:10.1107/S2053229617000213

data_2020705
_publ_section_title
;
 A three-dimensional Zn^II^ coordination polymer constructed from
 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and
 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting
 photoluminescence
;
_journal_coeditor_code           EG3213
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              72
_journal_page_last               77
_journal_paper_doi               10.1107/S2053229617000213
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Zn2 (C16 H6 O8) (C12 H10 N4)]'
_chemical_formula_moiety         'C28 H16 N4 O8 Zn2'
_chemical_formula_sum            'C28 H16 N4 O8 Zn2'
_chemical_formula_weight         667.18
_chemical_name_systematic
Poly[(\m~5~-1,1'-biphenyl-2,2',4,4'-tetracarboxylato)bis[\m~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dizinc(II)]
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 104.162(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4371(11)
_cell_length_b                   18.909(2)
_cell_length_c                   14.4981(15)
_cell_measurement_reflns_used    3692
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      2.49
_cell_volume                     2508.5(5)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2015) and DIAMOND (Brandenburg, 2005)
;
_computing_publication_material
;
PLATON (Spek, 2009) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT  (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_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       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7259
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.154
_exptl_absorpt_coefficient_mu    1.976
_exptl_absorpt_correction_T_max  0.693
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2012)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.642
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2345
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0468P)^2^+4.1623P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                1877
_reflns_number_total             2345
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            eg3213sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2020705.cif.'
_cod_database_code               2020705
_cod_database_fobs_code          2020705
_shelx_hkl_checksum              52528
_shelx_res_checksum              75210