Research Article: A redetermination of the structure of poly[[μ4-(R)-2-ammonio-3-sulfonato­propano­ato]aqua­sodium], originally reported as poly[[μ7-l-cysteato(2−)]disodium]

Date Published: April 01, 2012

Publisher: International Union of Crystallography

Author(s): I. David Brown.


The structure originally reported as poly[[μ7-l-cysteato(2−)]disodium], [Na2(C3H5NO5S)]n [Liu (2002). Acta Cryst. E67, m1346–m1347], has been redetermined with one of the sodium atoms replaced with a water mol­ecule and an additional proton attached to the amine group, resulting in the revised formula [Na{CO2CH(CH2SO3)NH3}(H2O)]n. The agreement index, wR, has been reduced from 0.159 to 0.087 and the global instability index from 0.56 vu (valence units) to the acceptable value of 0.11 vu.

Partial Text

The original structure determination of this compound was reported by Liu (2011 ▶). The bond-valence methods are described in Brown (2002 ▶).