A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity
Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui; CrystEngComm 23 (2021) 482–491; doi:10.1039/D0CE01575J

data_7241448
_publ_section_title
;
 A novel CdII-based metal--organic framework as a multi-responsive
 luminescent sensor for Fe3+, MnO4&#x2212;, Cr2O72&#x2212;,
 salicylaldehyde and ethylenediamine detection with high selectivity and
 sensitivity
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              482
_journal_page_last               491
_journal_paper_doi               10.1039/D0CE01575J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C19 H13 N5'
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_audit_update_record
;
2020-08-26 deposited with the CCDC.	2020-11-19 downloaded from the CCDC.
;
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_cell_volume                     1435.97(13)
_computing_cell_refinement       'Bruker FRAMBO'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.998
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;
CrysAlisPro 1.171.39.34a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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'Re-crystallisation from solvent: dichloromethane/methanol'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.147
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0414
_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^)+(0.0799P)^2^+0.5797P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1410
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1096
_reflns_number_total             1269
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7241447--7241448.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_shelxl_version_number     2017/1
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