Polymorphous transformation in the crystal structure of [Mg(H2O)6 Br2][(C7H14N4)2] . 4 (H2O) studied by powder and single crystal X-ray diffraction

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F14%3A00435295" target="_blank" >RIV/68378271:_____/14:00435295 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1515/zkri-2013-1672" target="_blank" >http://dx.doi.org/10.1515/zkri-2013-1672</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1515/zkri-2013-1672" target="_blank" >10.1515/zkri-2013-1672</a>

Result language

angličtina

Original language name

Polymorphous transformation in the crystal structure of [Mg(H2O)6 Br2][(C7H14N4)2] . 4 (H2O) studied by powder and single crystal X-ray diffraction

Original language description

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)?, ?=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)?, ?=113.7766(5)°, Z=2, was solved from powder data ab-initio by charge flipping algorithm.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Zeitschrift für Kristallographie

ISSN

0044-2968

e-ISSN

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Volume of the periodical

229

Issue of the periodical within the volume

4

Country of publishing house

DE - GERMANY

Number of pages

9

Pages from-to

319-327

UT code for WoS article

000335714600006

EID of the result in the Scopus database

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