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

Sergei I. Ivlev, Thomas G. Müller, Antti J. Karttunen, Markus Hoelzel, Florian Kraus*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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[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.

Original languageEnglish
Pages (from-to)1349-1353
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Issue number21
Publication statusPublished - 11 Jun 2018
MoE publication typeA1 Journal article-refereed


  • Azides
  • Crystal structure
  • Liquid ammonia
  • Manganese
  • Neutron diffraction


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