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The energetic landscape of Zn(imidazolate)2 networks with diamond topology is explored in detail. 30 different conformations are derived and compared on the basis of density-functional theory total energy calculations. The most stable conformations for both single and two-fold interpenetrated structures have been identified (space groups I2d and I41cd, respectively). H⋯H interactions are shown to be one of the factors governing the stability of the frameworks.
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Baburin et al. (2010) studied this question.
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