Trial and error: Topological analysis of the experimental electron density distribution of trinitropyrazole has allowed the energetic consequences of an overlooked pseudosymmetry to be quantified for the first time. This has allowed measurement of how much a small error in the assignment of a space group may cost a crystal structure; in the case of trinitropyrazole this was 8.9 kcal mol−1.
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Nelyubina et al. (2011) studied this question.
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