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Tabatabaee, Masoumeh, Poupon, Morgane, Eigner, Václav, Vaněk, Přemysl, Dušek, Michal (2018) The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O. Zeitschrift für Kristallographie - Crystalline Materials, 233 (1) 17-25 doi:10.1515/zkri-2016-2013

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Reference TypeJournal (article/letter/editorial)
TitleThe role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O
JournalZeitschrift für Kristallographie - Crystalline Materials
AuthorsTabatabaee, MasoumehAuthor
Poupon, MorganeAuthor
Eigner, VáclavAuthor
Vaněk, PřemyslAuthor
Dušek, MichalAuthor
Year2018 (January 26)Volume233
Issue1
PublisherWalter de Gruyter GmbH
DOIdoi:10.1515/zkri-2016-2013Search in ResearchGate
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Mindat Ref. ID118051Long-form Identifiermindat:1:5:118051:4
GUID0
Full ReferenceTabatabaee, Masoumeh, Poupon, Morgane, Eigner, Václav, Vaněk, Přemysl, Dušek, Michal (2018) The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O. Zeitschrift für Kristallographie - Crystalline Materials, 233 (1) 17-25 doi:10.1515/zkri-2016-2013
Plain TextTabatabaee, Masoumeh, Poupon, Morgane, Eigner, Václav, Vaněk, Přemysl, Dušek, Michal (2018) The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O. Zeitschrift für Kristallographie - Crystalline Materials, 233 (1) 17-25 doi:10.1515/zkri-2016-2013
In(2018, January) Zeitschrift für Kristallographie - Crystalline Materials Vol. 233 (1) Walter de Gruyter GmbH
Abstract/NotesAbstractThe room temperature structure withP21/csymmetry of the zinc(II) complex of pyridine-2,6-dicarboxylic acid was published by Okabe and Oya (N. Okabe, N. Oya, Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid.Acta Crystallogr. C.2000,56, 305). Here we report crystal structure of the low temperature phaseβ-[Zn(pydcH)2]·3H2O, pydc=C7H3NO4, resulting from the phase transition around 200K. The diffraction pattern of the low temperature phase revealed satellite reflections, which could be indexed with q-vector 0.4051(10)b* corresponding to (3+1)Dincommensurately modulated structure. The modulated structure was solved in the superspace groupX21/c(0b0)s0, whereXstands for a non-standard centring vector (½, 0, 0, ½), and compared with the room temperature phase. It is shown that hydrogen bonds are the main driving force of modulation.


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