Journal
CHEMICAL COMMUNICATIONS
Volume 51, Issue 85, Pages 15538-15541Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc06190c
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Funding
- Deutsche Forschungsgemeinschaft [KI1879]
- EPSRC [EP/M009580/1, EP/L000202]
- ERC [277757]
- Royal Society
- Cambridge Overseas Trust
- China's Scholarship council
- Engineering and Physical Sciences Research Council [EP/L000202/1, EP/M009580/1] Funding Source: researchfish
- EPSRC [EP/L000202/1] Funding Source: UKRI
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Polymorphism in formate-based dense metal-organic frameworks with the general formula ABX(3) is predicted by quantum chemical calculations and confirmed experimentally. In particular [NH3NH2]Zn(HCOO)(3) crystallizes in two different polymorphs, a perovskite-like framework and a chiral structure with hexagonal channels. A detailed thermodynamic analysis reveals that both structures are very close in free energy and that entropy driven effects are responsible for stabilizing the channel structure.
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