TY - JOUR
T1 - Aquadi-μ-chloro-bis(diethylenetriamine)dicopper(II) dichloride
T2 - A redetermination at 180 K
AU - Gernon, Tammy L.
AU - Creaven, Bernadette S.
AU - McGinley, John
AU - Bond, Andrew D.
PY - 2006/8
Y1 - 2006/8
N2 - The structure of the title compound, [Cu2Cl2(C 4H13N3)2-(H2O)]Cl 2, 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). 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.
AB - The structure of the title compound, [Cu2Cl2(C 4H13N3)2-(H2O)]Cl 2, 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). 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.
UR - http://www.scopus.com/inward/record.url?scp=33747200447&partnerID=8YFLogxK
U2 - 10.1107/S1600536806028212
DO - 10.1107/S1600536806028212
M3 - Article
AN - SCOPUS:33747200447
SN - 1600-5368
VL - 62
SP - m1958-m1960
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 8
ER -