A threefold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and selective luminescence sensing properties
Pan, Chen-Dong; Wang, Jun; Xu, Ju-Qin; Zhang, Kang-Feng; Wang, Xiao-Wan; Acta Crystallographica Section C 75 (2019) –; doi:10.1107/S2053229619008635

data_2021684
_publ_section_title
;
 A threefold interpenetrating two-dimensional zinc(II) coordination
 polymer: synthesis, crystal structure and selective luminescence sensing
 properties
;
_journal_coeditor_code           SK3727
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619008635
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Zn (C14 H8 O6 S1) (C20 H18 N4 O1)]'
_chemical_formula_moiety         'C34 H26 N4 O7 S Zn'
_chemical_formula_sum            'C34 H26 N4 O7 S Zn'
_chemical_formula_weight         700.04
_chemical_name_systematic
;Poly[[\m-4,4'-bis(2-methylimidazol-1-yl)diphenyl
ether-\k^2^<i>N</i>^3^:<i>N</i>^3'^](\m-4,4'-sulfonyldibenzoato-\k^2^<i>O</i>:<i>O</i>')zinc(II)],
;
_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
_cell_angle_alpha                90
_cell_angle_beta                 101.716(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.502(7)
_cell_length_b                   20.059(13)
_cell_length_c                   13.735(9)
_cell_measurement_reflns_used    9235
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.01
_cell_volume                     3103(3)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            54039
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.929
_exptl_absorpt_coefficient_mu    0.916
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_description       block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6085
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0363P)^2^+2.1796P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0948
_reflns_number_gt                4242
_reflns_number_total             6085
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sk3727sup1.cif
_cod_data_source_block           global
_cod_database_code               2021684
_shelx_estimated_absorpt_t_min   0.831
_shelx_estimated_absorpt_t_max   0.860
_shelx_hkl_checksum              93934
_shelx_res_checksum              59822
_shelxl_version_number           2.014