Počet záznamů: 1
Polymorphous transformation in the crystal structure of [Mg(H.sub.2./sub.O).sub.6./sub. Br.sub.2./sub.][(C.sub.7./sub.H.sub.14./sub.N.sub.4./sub.).sub.2./sub.] . 4 (H.sub.2./sub.O) studied by powder and single crystal X-ray diffraction
- 1.0435295 - FZÚ 2015 RIV DE eng J - Článek v odborném periodiku
Rivera, A. - Rohlíček, Jan - Sadat-Bernal, J. - Ríos-Motta, J. - Dušek, Michal
Polymorphous transformation in the crystal structure of [Mg(H2O)6 Br2][(C7H14N4)2] . 4 (H2O) studied by powder and single crystal X-ray diffraction.
Zeitschrift für Kristallographie. Roč. 229, č. 4 (2014), s. 319-327. ISSN 0044-2968
Grant ostatní: AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institucionální podpora: RVO:68378271
Klíčová slova: polymorphism * powder X-ray * single crystal diffraction * 1,3,6,8-tetraazatricyclo[4.3.1.13,ˑ 8]undecane * phase transformation * crystal structure analysis
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 1.310, rok: 2014 ; AIS: 0.409, rok: 2014
DOI: https://doi.org/10.1515/zkri-2013-1672
The supramolecular complex [Mg(H2O)6Br2][(C7H14N4)2].4(H2O)(1) was synthesized and characterized by combination of techniques as NMR, FT-IR, elemental analysis and argentometric titration. The molecular structure was evidenced by X-ray crystallography. It underwent a spontaneous phase transition to a second monoclinic phase (2). Phase (1) crystallizes in the monoclinic space group P21/c with a=13.79430(12), b=14.80930(13), c=14.29182(12)Å, β=91.3976(5)°, and Z=4. The crystal structure was partially solved by direct methods from intensities obtained from a microcrystal of the material measured by single-crystal method, and finalized from powder data. The second phase (2) with a monoclinic space group P21/a and half-volume unit cell a=9.19007(6), b=21.38080(17), c=8.12027(6)Å, β=113.7766(5)°, Z=2, was solved from powder data ab-initio by charge flipping algorithm.
Trvalý link: http://hdl.handle.net/11104/0239171
Počet záznamů: 1