Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.
Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt; Acta crystallographica. Section E, Crystallographic communications 80 (2024) 401–407; doi:10.1107/S2056989024002494

data_2023068
_publ_section_title
;
 Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.
;
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              401
_journal_page_last               407
_journal_paper_doi               10.1107/S2056989024002494
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          '[Na (C9 H7 O4) (H2 O)]'
_chemical_formula_moiety         'C9 H9 Na O5'
_chemical_formula_sum            'C9 H9 Na O5'
_chemical_formula_weight         220.15
_chemical_name_systematic
;
Poly[aqua[\m-3-(3,4-dihydroxyphenyl)propenoato]sodium]
;
_space_group_crystal_system      triclinic
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Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
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X-AREA (Stoe & Cie, 2016)
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X-AREA (Stoe & Cie, 2016)
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X-AREA (Stoe & Cie, 2016)
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DIAMOND (Brandenburg & Putz, 2019)
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Olex2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL (Sheldrick, 2015b)
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<i>SHELXT</i> (Sheldrick, 2015a)
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'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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(IPDS Software; Stoe & Cie, 1999)
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_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0615P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 2023067--2023068.cif.'
_cod_original_cell_volume        458.64(17)
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