Linked Life Data

18057596

Source:http://linkedlifedata.com/resource/pubmed/id/18057596

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
Pt 12
pubmed:dateCreated
2007-12-6
pubmed:abstractText
trans-Dibromidotetrakis(1H-pyrazole-kappaN(3))manganese(II), [MnBr2(C3H4N2)4], crystallizes in the C2/c space group with the Mn atom located on a centre of inversion. As a result, there is just one half-molecule in the asymmetric unit. Geometric parameters are in the usual ranges. The Mn centre is octahedrally coordinated by four pyrazole residues in the equatorial plane and by two bromide ligands in the axial positions. The molecular conformation is stabilized by N-H...Br hydrogen bonds. The structure of the title compound had already been described [Lumme & Lindell (1987). J. Coord. Chem. 15, 383-392] in a different setting, with the Mn atoms located on inversion centres on Wyckoff position d (1/4, 1/4, 1/2; 3/4, 1/4, 0; 3/4, 3/4, 1/2; 1/4, 3/4, 0). In the conventional setting, however, the Mn atoms are situated on Wyckoff position a (0, 0, 0; 0, 0, 1/2; 1/2, 1/2, 0; 1/2, 1/2, 1/2). In this special case, if the c axis has the same length as the short diagonal of the ac plane, the transformation from one setting into the other yields almost indistinguishable cell parameters, and the possibility of confusion arises. This setting ambiguity could be the reason why two structures in different settings might be taken as polymorphs even though they can easily be transformed. As a result of this, care should always be taken to use the conventional setting.
pubmed:commentsCorrections
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Dec
pubmed:issn
1600-5759
pubmed:author
pubmed:issnType
Electronic
pubmed:volume
63
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
m566-9
pubmed:dateRevised
2008-11-18
pubmed:year
2007
pubmed:articleTitle
Setting ambiguity in C2/c with dibromidotetrakis(1H-pyrazole-kappaN2)manganese(II) as an example.
pubmed:affiliation
Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.
pubmed:publicationType
Journal Article, Retracted Publication