Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions
An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622009445

data_2022682
_publ_section_title
;
 Cd^II^-based compound as a multi-responsive fluorescent probe for sensing
 Fe^III^ cations and Cr^VI^ oxyanions
;
_journal_coeditor_code           EF3033
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622009445
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          '[Cd (C16 H10 O7) (C12 H10 N4)]'
_chemical_formula_moiety         'C28 H20 Cd N4 O7'
_chemical_formula_sum            'C28 H20 Cd N4 O7'
_chemical_formula_weight         636.88
_chemical_name_systematic
Poly[[\m~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]{\m~2~-5-[(3-carboxyphenoxy)methyl]isophthalato}cadmium(II)]
_space_group_crystal_system      monoclinic
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;
SAINT (Bruker, 2012)
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_computing_data_collection
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APEX2 (Bruker, 2012)
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SAINT (Bruker, 2012)
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SHELXL2018 (Sheldrick, 2015b)
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SHELXL2018 (Sheldrick, 2015b)
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SHELXT2014 (Sheldrick, 2015a)
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_exptl_absorpt_correction_T_min  0.6609
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;
(<i>SADABS</i>; Bruker, 2001)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.200
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_refine_diff_density_max         0.459
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_refine_ls_extinction_coef       0.0114(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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;
SHELXL2018 (Sheldrick, 2015b)
;
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_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0263
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0239P)^2^+2.0994P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0614
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ef3033sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
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