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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
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SYSNO ASEP 0435295 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Polymorphous transformation in the crystal structure of [Mg(H2O)6 Br2][(C7H14N4)2] . 4 (H2O) studied by powder and single crystal X-ray diffraction Tvůrce(i) Rivera, A. (CO)
Rohlíček, Jan (FZU-D) RID, ORCID
Sadat-Bernal, J. (CO)
Ríos-Motta, J. (CO)
Dušek, Michal (FZU-D) RID, ORCID, SAIZdroj.dok. Zeitschrift für Kristallographie - ISSN 0044-2968
Roč. 229, č. 4 (2014), s. 319-327Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. DE - Německo Klíč. 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 Vědní obor RIV BM - Fyzika pevných látek a magnetismus Institucionální podpora FZU-D - RVO:68378271 UT WOS 000335714600006 EID SCOPUS 84902510033 DOI https://doi.org/10.1515/zkri-2013-1672 Anotace 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. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2015
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