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Information card for entry 1577447
Preview
| Coordinates | 1577447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | NU-2501 |
|---|---|
| Formula | C9 H9 Lu O9 |
| Calculated formula | C9 H9 Lu O9 |
| Title of publication | Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity |
| Authors of publication | Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 12.4932 ± 0.0002 Å |
| b | 6.46512 ± 0.0001 Å |
| c | 13.0763 ± 0.0002 Å |
| α | 90° |
| β | 97.5605 ± 0.0015° |
| γ | 90° |
| Cell volume | 1046.99 ± 0.03 Å3 |
| Cell temperature | 110 ± 14 K |
| Ambient diffraction temperature | 110 ± 14 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.