Post-synthetic modification of a Tb-based metal‒organic framework for highly selective and sensitive detection of metal ions in aqueous solution
Huangfu, Mengjie; Tian, Xueqin; Zhao, Shuang; Wu, Pengyan; Chu, Huacong; Zheng, Xiaotian; Tang, Jiawei; Wang, Jian; New Journal of Chemistry 43 (2019) 10232–; doi:10.1039/C9NJ01835B

data_7058470
_publ_section_title
;
 Post-synthetic modification of a Tb-based metal--organic framework for
 highly selective and sensitive detection of metal ions in aqueous
 solution
;
_journal_issue                   26
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10232
_journal_paper_doi               10.1039/C9NJ01835B
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C8 H14 N O13 Tb'
_chemical_formula_weight         491.12
_chemical_name_common            Tb-HIA
_chemical_name_systematic        Tb-HIA
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-07-18 deposited with the CCDC.    2019-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   17.6988(12)
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      34.82
_cell_measurement_theta_min      2.68
_cell_volume                     3493.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.961
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_diffrn_reflns_point_group_measured_fraction_full 0.961
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_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.219
_exptl_absorpt_coefficient_mu    4.109
_exptl_absorpt_correction_T_max  0.578
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2967
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_refine_ls_R_factor_all          0.0459
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_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1009P)^2^+41.6321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.1427
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2837
_reflns_number_total             2967
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj01835b2.cif
_cod_data_source_block           1_sq
_cod_depositor_comments          'Adding full bibliography for 7058470.cif.'
_cod_database_code               7058470
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_shelx_estimated_absorpt_t_max   0.578
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