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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Zeitschrift für Kristallographie

ISSN

0044-2968

e-ISSN

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Svazek periodika

229

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

9

Strana od-do

319-327

Kód UT WoS článku

000335714600006

EID výsledku v databázi Scopus

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