A water-stable multi-responsive luminescent Zn-MOF sensor for detecting TNP, NZF and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous media.
Wang, Xiaohe; Lei, Mingyuan; Zhang, Tianjun; Zhang, Qingfu; Zhang, Rufen; Yang, Ming; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3816–3824; doi:10.1039/d0dt03049j

data_7706553
_publ_section_title
;
 A water-stable multi-responsive luminescent Zn-MOF sensor for detecting
 TNP, NZF and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous media.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3816
_journal_page_last               3824
_journal_paper_doi               10.1039/d0dt03049j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C35 H28 N4 O7 Zn'
_chemical_formula_weight         681.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-04-07 deposited with the CCDC.	2020-11-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.0770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3019(7)
_cell_length_b                   11.1262(8)
_cell_length_c                   30.687(2)
_cell_measurement_reflns_used    2138
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.65
_cell_volume                     3167.9(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  '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  0.0672
_diffrn_reflns_av_unetI/netI     0.1003
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       36
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        25.019
_diffrn_reflns_theta_max         25.019
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_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.468
_refine_diff_density_min         -0.386
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0581
_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^)+(0.0537P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1510
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3182
_reflns_number_total             5567
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03049j2.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 7706553.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706553
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.783
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_shelx_res_checksum              59762