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Figure 4
The disordered solvent water mol­ecules and their columnar inter­action, viewed at right angles to the orientation in Fig. 2[link]. The type a inversion centres, represented as crosses, align along [100] at y = 1, z = [{1 \over 2}]. (a) The centrosymmetric model, disordered around type a inversion centres. (b) and (c) Two physically plausible alternatives for the atomic distribution along the columns. Even though they violate the space group centrosymmetry, their co-existence would explain the centrosymmetric disordered model. Solid spheres, heavy bonds and hydrogen bonds as double broken lines correspond to `existing' atoms, and hollow bonds (including hydrogen bonds as single broken lines) represent absent atoms. [Symmetry codes as in Table 2[link]; additionally; (x) x − 1, y, z; (xi) x − [{1\over 2}], −y + [{3\over 2}], z − [{1\over 2}].]

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 66| Part 11| October 2010| Pages m339-m342
doi:10.1107/S0108270110040989
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