Acta Crystallographica Section E: Structure Reports Online, ( ISI ), Volume (67), No (67), Year (2011-1) , Pages (301-301)

Title : ( Tris{4-[(2H-tetrazol-5-yl)methyl]-morpholinium} dodecatungstophosphatehexahydrate )

Authors: Babak Feizyzadeh , Masoud Mirzaei Shahrabi , Hossein Eshtiagh Hosseini , Ahmad Gholizadeh ,

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Abstract

The title heteropolyoxidotungstate-based inorganic–organic hybrid material, (C6H12N5O)3[W12(PO4)O36]6H2O, consists of one -Keggin-type [W12(PO4)O36]3 polyoxidometalate anion (POM), three crystallographically independent 4-[(2Htetrazol- 5-yl)methyl]morpholinium cations and six water molecules of crystallization. The morpholine ring of the cation adopts a chair conformation. The anion shows characteristic features with respect to bond lengths and angles. An extensive network of N—H  O, N—H  N, O—H  O and O—H  N hydrogen-bonding interactions between the organic cations, inorganic anion and the crystal water molecules lead to a three-dimensional structure. Moreover, six uncoordinated water molecules increase the number of hydrogen bonds in the network and lead to the formation of (H2O)1 clusters.

Keywords

, single, crystal X, ray study; T = 100 K; mean (C–C) = 0.030 A° ; R factor = 0.052; wR factor = 0.104; data, to, parameter ratio = 27.6.