The salt–cocrystal spectrum in salicylic acid–adenine: the influence of crystal structure on proton-transfer balance
Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan; Acta Crystallographica Section C 75 (2019) 412–421; doi:10.1107/S2053229619003127

data_2021538
_publ_section_title
;
 The salt--cocrystal spectrum in salicylic acid--adenine: the influence of
 crystal structure on proton-transfer balance
;
_journal_coeditor_code           KY3165
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              412
_journal_page_last               421
_journal_paper_doi               10.1107/S2053229619003127
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C5 H6 N5 +, C7 H5 O3 -, H2 O'
_chemical_formula_moiety         'C5 H6 N5 +, C7 H5 O3 -, H2 O'
_chemical_formula_sum            'C12 H13 N5 O4'
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_chemical_name_systematic
;
Adeninium salicylate monohydrate
;
_space_group_crystal_system      triclinic
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_computing_cell_refinement
;
CrysAlis RED (Rigaku OD, 2015)
;
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;
CrysAlis CCD (Rigaku OD, 2015
;
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CrysAlis RED (Rigaku OD, 2015)
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DIAMOND (Brandenburg & Putz, 2006)
;
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SHELXL2014 (Sheldrick, 2015b)
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SHELXL2018 (Sheldrick, 2015b)
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SHELXT2014 (Sheldrick, 2015a)
;
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;
(CrysAlis PRO; Rigaku OD, 2015)
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0282P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 2021538--2021539.cif.'
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