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

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A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2. / Ivlev, Sergei I.; Müller, Thomas G.; Karttunen, Antti J.; Hoelzel, Markus; Kraus, Florian.

In: Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 644, No. 21, 11.06.2018, p. 1349-1353.

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Ivlev, Sergei I. ; Müller, Thomas G. ; Karttunen, Antti J. ; Hoelzel, Markus ; Kraus, Florian. / A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2. In: Zeitschrift fur Anorganische und Allgemeine Chemie. 2018 ; Vol. 644, No. 21. pp. 1349-1353.

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@article{91f9caf7699e4771b1fba3c9c04eb66c,
title = "A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2",
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) {\AA}, β = 94.618(6)°, V = 572.10(6) {\AA}3, 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) {\AA}.",
keywords = "Azides, Crystal structure, Liquid ammonia, Manganese, Neutron diffraction",
author = "Ivlev, {Sergei I.} and M{\"u}ller, {Thomas G.} and Karttunen, {Antti J.} and Markus Hoelzel and Florian Kraus",
year = "2018",
month = "6",
day = "11",
doi = "10.1002/zaac.201800217",
language = "English",
volume = "644",
pages = "1349--1353",
journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",
issn = "0044-2313",
number = "21",

}

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TY - JOUR

T1 - A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2

AU - Ivlev, Sergei I.

AU - Müller, Thomas G.

AU - Karttunen, Antti J.

AU - Hoelzel, Markus

AU - Kraus, Florian

PY - 2018/6/11

Y1 - 2018/6/11

N2 - [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.

AB - [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.

KW - Azides

KW - Crystal structure

KW - Liquid ammonia

KW - Manganese

KW - Neutron diffraction

UR - http://www.scopus.com/inward/record.url?scp=85050488865&partnerID=8YFLogxK

U2 - 10.1002/zaac.201800217

DO - 10.1002/zaac.201800217

M3 - Article

VL - 644

SP - 1349

EP - 1353

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

SN - 0044-2313

IS - 21

ER -

ID: 26961699