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Information card for entry 4519541
Preview
| Coordinates | 4519541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MOF-520-BPDC_2.45 GPa |
|---|---|
| Formula | C34 H21 Al2 O10 |
| Calculated formula | C34 H21 Al2 O10 |
| Title of publication | Molecular Retrofitting Adapts a Metal–Organic Framework to Extreme Pressure |
| Authors of publication | Kapustin, Eugene A.; Lee, Seungkyu; Alshammari, Ahmad S.; Yaghi, Omar M. |
| Journal of publication | ACS Central Science |
| Year of publication | 2017 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 662 - 667 |
| a | 19.083 ± 0.004 Å |
| b | 19.083 ± 0.004 Å |
| c | 36.725 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13374 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 94 |
| Hermann-Mauguin space group symbol | P 42 21 2 |
| Hall space group symbol | P 4n 2n |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
| Diffraction radiation wavelength | 0.49594 Å |
| Diffraction radiation type | synchrotron |
| 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.