Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O

Lutz HD, Nagel R, Mason SA, Müller A, Bögge H, Krickemeyer E (2002)
JOURNAL OF SOLID STATE CHEMISTRY 165(1): 199-205.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
The crystal structure of (NH4)(21)[H3Mo57V6(NO)(6)O-183 (H2O)(18)] . 53 H2O, a supramolecular heteropoly cluster compound (space group P6(3)/mmc, Z=2, final R1 = 0.1302 (I > 2sigma(I)) for 1745 unique reflections), was redetermined by single-crystal neutron diffraction studies at 20K. The X-ray diffraction results reported in 1994 by Mijller et al. (Z. Anorg. Allg. Chem. 620, 599) are confirmed. Additionally, we could localize many hydrogen positions not found so far and establish a phase transition near 240 K. Many of the ammonium ions, the ligand and hydrate H2O molecules, and the hydroxy group are orientationally disordered, even at 20 K. The central cavity of the structure is built up by two twelve-membered rings consisting of six O-(HO)-O-... hydrogen bonds each. These strong hydrogen bonds are obviously decisive for the stability of the cluster. The hydrate H2O molecules are stronger-hydrogen-bond acceptor groups than the oxoligands of the cluster. (C) 2002 Elsevier Science (USA).
Stichworte
phase transition; molybdenum vanadium heteropolyanion cluster; single-crystal neutron; hydrogen bonds; diffraction
Erscheinungsjahr
2002
Zeitschriftentitel
JOURNAL OF SOLID STATE CHEMISTRY
Band
165
Ausgabe
1
Seite(n)
199-205
ISSN
0022-4596
Page URI
https://pub.uni-bielefeld.de/record/1614668

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Lutz HD, Nagel R, Mason SA, Müller A, Bögge H, Krickemeyer E. Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O. JOURNAL OF SOLID STATE CHEMISTRY. 2002;165(1):199-205.
Lutz, H. D., Nagel, R., Mason, S. A., Müller, A., Bögge, H., & Krickemeyer, E. (2002). Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O. JOURNAL OF SOLID STATE CHEMISTRY, 165(1), 199-205. doi:10.1006/jssc.2001.9507
Lutz, H. D., Nagel, R., Mason, S. A., Müller, A., Bögge, H., and Krickemeyer, E. (2002). Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O. JOURNAL OF SOLID STATE CHEMISTRY 165, 199-205.
Lutz, H.D., et al., 2002. Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O. JOURNAL OF SOLID STATE CHEMISTRY, 165(1), p 199-205.
H.D. Lutz, et al., “Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O”, JOURNAL OF SOLID STATE CHEMISTRY, vol. 165, 2002, pp. 199-205.
Lutz, H.D., Nagel, R., Mason, S.A., Müller, A., Bögge, H., Krickemeyer, E.: Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O. JOURNAL OF SOLID STATE CHEMISTRY. 165, 199-205 (2002).
Lutz, H. D., Nagel, R, Mason, SA, Müller, Achim, Bögge, Hartmut, and Krickemeyer, Erich. “Single-crystal neutron structure analysis of (NH4)(21)[H3Mo57V6(NO)(6)O-183(H2O)(18)]center dot 53 H2O”. JOURNAL OF SOLID STATE CHEMISTRY 165.1 (2002): 199-205.