Title of article :
Caesium propanoate monohydrate
Author/Authors :
Samolová, Erika Inst. of Physics of the Czech Academy of Sciences, Czech Republic , Fábry, Jan Inst. of Physics of the Czech Academy of Sciences, Czech Republic
Abstract :
Caesium propanoate monohydrate, Cs+ C3H5O2 H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P421m, one symmetry-independent propanoate molecule in a general position and a pair of water molecules also situated on special position
4e. Two pairs of these symmetry-independent cations, four propanoate molecules and two pairs of symmetry-independent water molecules form a repeat unit. These units form columns that are directed along the c axis and possess symmetry mm2. There are four such columns passing through each unit
cell. Each column is interconnected to its neighbours by four bifurcated threecentred Ow—HOp (w = water, p = propanoate) hydrogen bonds of moderate strength. There are also four intramolecular Ow—HOp hydrogen bonds of moderate strength within each column. One Cs+ cation is coordinated by six
oxygen atoms (two water and four carboxylate) in a trigonal–prismatic geometry, while the other Cs+ cation is coordinated by four water and four carboxylate O atoms in a tetragonal–prismatic arrangement.
Keywords :
crystal structure , hydrogen bonding , metal–organic compounds , Cambridge Structural Database , positional disorde , occupational disorde , hydrates
Journal title :
Acta Crystallographica Section E: Crystallographic Communications