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note
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DSC experimental conditions: instrument EXTAR6000 (SII), dynamic nitrogen atmosphere, Pt crucibles, sample weight: 3-4 mg. The thermal measurements of the samples were started from ambient temperature, in flow of nitrogen gas. The samples were first cooled and then heated, and then this cycling was repeated. The same procedure was repeated with a fresh sample for each temperature rate: 2, 5, and 10 K/min.
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note
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2 low-temperature system. The other X-ray diffraction details are deposited as Supporting Information.
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34
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33646381025
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note
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2) bond (deposited as Figure S1, Supporting Information) mirrors the change of the length of the C1-O1 bond, which may be an indication for possible correlation during the refinement between the positions of the adjacent C1 and C2. Although this does not contrast the flipping motion, it would introduce further bias to the populations of the two components estimated from the refinement. Therefore, for the ratio of the two components we chose to rely on the qualitative conclusions based on the alteration of the difference electron density, rather than on the values obtained by the above refinement.
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