A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.
Bag, Riya; Sikdar, Yeasin; Sahu, Sutapa; Maiti, Dilip K.; Frontera, Antonio; Bauzá, Antonio; Drew, Michael G. B.; Goswami, Sanchita; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17077–17085; doi:10.1039/c8dt02449a

data_7048073
_publ_section_title
;
 A versatile quinoxaline derivative serves as a colorimetric sensor for
 strongly acidic pH.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17077
_journal_page_last               17085
_journal_paper_doi               10.1039/c8dt02449a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C15 H13 N4, Cl4 Fe, H2 O'
_chemical_formula_sum            'C15 H15 Cl4 Fe N4 O'
_chemical_formula_weight         464.96
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;
2018-06-06 deposited with the CCDC.
2018-11-14 downloaded from the CCDC.
;
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.01(2)
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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-2016/6 (Sheldrick 2016)'
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_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^)+(0.0370P)^2^+0.3647P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
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_reflns_Friedel_coverage         0.996
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                3737
_reflns_number_total             4077
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7048072--7048074.cif.'
_cod_database_code               7048073
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