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Robson et al. reported the network 3 without detailed information in reference. (1) We attempted to redetermine the crystal structure in this study using single crystal X-ray diffraction, but high quality data was not obtained due to polycrystallinity. However, we determined the 10,3- b type framework (see ref 42). Our X-ray powder diffraction experiments, TG-DSC, and elemental analysis suggest that the product 3 is the same interpenetrated network as 1 and 2. Therefore, we used 3 as a starting material for the heating experiment
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Robson et al. reported the network 3 without detailed information in reference. (1) We attempted to redetermine the crystal structure in this study using single crystal X-ray diffraction, but high quality data was not obtained due to polycrystallinity. However, we determined the 10,3- b type framework (see ref 42). Our X-ray powder diffraction experiments, TG-DSC, and elemental analysis suggest that the product 3 is the same interpenetrated network as 1 and 2. Therefore, we used 3 as a starting material for the heating experiment.
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For the details of the ab initio structure determination at 95 K (vacuum), and structural information, see Supporting Information.
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For the details of the ab initio structure determination at 95 K (vacuum), and structural information, see Supporting Information.
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35
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79954567407
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1 and 1a were collected at different temperatures 95 K (vacuum) and 82 K.
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1 and 1a were collected at different temperatures 95 K (vacuum) and 82 K.
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41
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16844375321
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1b has an interpenetrated structure in which triphenylene is intercalated between two triazine ligands. Triphenylene is regarded as a host framework rather than guest because it cannot be replaced by common aromatic compounds under guest exchange conditions, due to the strong stacking between triazine panels and triphenylene thorough charge-transfer interactions.
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Ohmori, O.; Kawano, M.; Fujita, M. Angew. Chem. Int. Ed. 2005, 44, 1962-1964 1b has an interpenetrated structure in which triphenylene is intercalated between two triazine ligands. Triphenylene is regarded as a host framework rather than guest because it cannot be replaced by common aromatic compounds under guest exchange conditions, due to the strong stacking between triazine panels and triphenylene thorough charge-transfer interactions.
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79954504967
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See Supporting Information to see the XRPD pattern of 2a obtained after heating 2 and 2b at 553 K (Figure S10). We also obtained the same XRPD pattern and hence the same interpenetrated structure 2a from a biporous coordination network reported in ref 29 (Figure S11).
-
See Supporting Information to see the XRPD pattern of 2a obtained after heating 2 and 2b at 553 K (Figure S10). We also obtained the same XRPD pattern and hence the same interpenetrated structure 2a from a biporous coordination network reported in ref 29 (Figure S11).
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43
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79954465845
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2) (3c) although 3 can be obtained as a minor product. The network 3c has 1D channels formed by π-π stacking of TPT (Figure S24). See Supporting Information for detailed information.
-
2) (3c) although 3 can be obtained as a minor product. The network 3c has 1D channels formed by π-π stacking of TPT (Figure S24). See Supporting Information for detailed information.
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44
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79954519091
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Compound 3 did not provide a clear XRPD pattern after reaching 573 K, whereas compounds 1 and 2 having good crystallinity provided 1a and 2a via crystalline-to-amorphous-to-crystalline (CAC) transformation at 573 K. In the case of 3, the equivalent 3a obtained after the amorphous phase is not crystalline enough and cannot be characterized by ab initio X-ray diffraction. However, similarities with the diffraction pattern of 2a and elemental analyses suggest the same desolvated structure.
-
Compound 3 did not provide a clear XRPD pattern after reaching 573 K, whereas compounds 1 and 2 having good crystallinity provided 1a and 2a via crystalline-to-amorphous-to-crystalline (CAC) transformation at 573 K. In the case of 3, the equivalent 3a obtained after the amorphous phase is not crystalline enough and cannot be characterized by ab initio X-ray diffraction. However, similarities with the diffraction pattern of 2a and elemental analyses suggest the same desolvated structure.
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45
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79954491540
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2, since it is very likely that solid-liquid phase was created at 573 K, the most stable product 3b was obtained.
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2, since it is very likely that solid-liquid phase was created at 573 K, the most stable product 3b was obtained.
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