Aquadi-u-chloro-bis(diethylenetriamine)dicopper(11) dichloride: A redetermination at 180 K

McGinley, John and Gernon, T. and Creaven, S. and Bond, A. (2006) Aquadi-u-chloro-bis(diethylenetriamine)dicopper(11) dichloride: A redetermination at 180 K. Acta Crystallographica, 62 (8). pp. 1958-1960.

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The structure of the title compound, [Cu2Cl2(C4H13N3)2(H2O)]Cl2, at 180 K is described in space group P21/n with a unit-cell volume twice that reported previously for the structure at 293 K [Willett (2001[Willett, R. D. (2001). Acta Cryst. E57, m605-m606.]). Acta Cryst. E57, m605-m606]. In the smaller unit cell, in space group P21/m, the complex has imposed mirror symmetry and unusually elongated displacement ellipsoids. At 180 K, refinement in the larger unit cell with no imposed symmetry resolves this issue. With room-temperature data collected from the same crystal, however, refinement using the larger unit cell gives no significant improvement, and the previously reported structure is considered to be most appropriate.

Item Type: Article
Keywords: Aquadi-u-chloro-bis; diethylenetriamine; dicopper(11);dichloride;
Academic Unit: Faculty of Science and Engineering > Chemistry
Item ID: 925
Depositing User: John McGinley
Date Deposited: 13 Mar 2008
Journal or Publication Title: Acta Crystallographica
Publisher: International Union of Crystallography
Refereed: Yes

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