Broadened bioactivity and enhanced durability of two structurally distinct metal-organic frameworks containing Zn<sup>2+</sup> ions and thiabendazole.
Kobayashi, Daiya; Hamakawa, Akira; Yamaguchi, Yuki; Takahashi, Toshiaki; Yanagita, Mitsuhiro; Arai, Shigebumi; Minoura, Mao; Dalton transactions (Cambridge, England : 2003) 50 (2021) 7176–7180; doi:10.1039/d1dt00733e

data_7707046
_publ_section_title
;
 Broadened bioactivity and enhanced durability of two structurally
 distinct metal-organic frameworks containing Zn<sup>2+</sup> ions and
 thiabendazole.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7176
_journal_page_last               7180
_journal_paper_doi               10.1039/d1dt00733e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C18 H10 N3 O4 S Zn'
_chemical_formula_weight         429.72
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-12-22 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.7390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   11.1997(4)
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_cell_volume                     1663.18(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker QUEST Photon'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_min         2.827
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.634
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6645
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_description       needle
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0338
_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^)+(0.0229P)^2^+2.8495P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3249
_reflns_number_total             3825
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00733e2.cif
_cod_data_source_block           NSO2135_0m_a
_cod_depositor_comments
'Adding full bibliography for 7707045--7707046.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707046
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.854
_shelx_estimated_absorpt_t_max   0.923
_shelx_res_checksum              29419
_shelx_hkl_checksum              39609