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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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.


, 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.
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author = {Babak Feizyzadeh and Mirzaei Shahrabi, Masoud and Eshtiagh Hosseini, Hossein and Ahmad Gholizadeh},
title = {Tris{4-[(2H-tetrazol-5-yl)methyl]-morpholinium} dodecatungstophosphatehexahydrate},
journal = {Acta Crystallographica Section E: Structure Reports Online},
year = {2011},
volume = {67},
number = {67},
month = {January},
issn = {1600-5368},
pages = {301--301},
numpages = {0},
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.},


%0 Journal Article
%T Tris{4-[(2H-tetrazol-5-yl)methyl]-morpholinium} dodecatungstophosphatehexahydrate
%A Babak Feizyzadeh
%A Mirzaei Shahrabi, Masoud
%A Eshtiagh Hosseini, Hossein
%A Ahmad Gholizadeh
%J Acta Crystallographica Section E: Structure Reports Online
%@ 1600-5368
%D 2011