A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2

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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2018-06-11
Major/Subject
Mcode
Degree programme
Language
en
Pages
1349-1353
Series
Zeitschrift fur Anorganische und Allgemeine Chemie, Volume 644, issue 21
Abstract
[Mn(ND3)6](N3)2 was obtained by careful decomposition of [Mn(ND3)6](N3)2·4ND3 at room temperature. It crystallizes in the monoclinic space group I2/m with a = 8.5905(5), b = 6.8506(4), c = 9.7530(6) Å, β = 94.618(6)°, V = 572.10(6) Å3, Z = 2, at T = 3 K. Its crystal structure was elucidated using powder neutron diffraction and confirmed by quantum chemical calculations. The MnII cation is coordinated octrahedron-like by ND3 ligands. The azide anion is linear with 178.7(10)° and shows N-N distances of 1.178(11) and 1.180(12) Å.
Description
Keywords
Azides, Crystal structure, Liquid ammonia, Manganese, Neutron diffraction
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Citation
Ivlev , S I , Müller , T G , Karttunen , A J , Hoelzel , M & Kraus , F 2018 , ' A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND 3 ) 6 ](N 3 ) 2 ' , Zeitschrift fur Anorganische und Allgemeine Chemie , vol. 644 , no. 21 , pp. 1349-1353 . https://doi.org/10.1002/zaac.201800217