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Information card for entry 4121943
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Coordinates | 4121943.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H6 N3 O18 Sc2 |
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Calculated formula | C24 H6 N3 O18 Sc2 |
Title of publication | Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. |
Authors of publication | Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 24 |
Pages of publication | 8606 - 8613 |
a | 8.6789 ± 0.0003 Å |
b | 34.3705 ± 0.0014 Å |
c | 11.058 ± 0.0007 Å |
α | 90° |
β | 110.497 ± 0.003° |
γ | 90° |
Cell volume | 3089.7 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1486 |
Residual factor for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections | 0.1211 |
Weighted residual factors for significantly intense reflections | 0.1102 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0853 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4121943.html
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