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Information card for entry 1558130
Preview
| Coordinates | 1558130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catnea-[bis(?-terephthalato)uranium tetrahydrate] |
|---|---|
| Formula | C16 H8 O12 U |
| Calculated formula | C16 H8 O12 U |
| Title of publication | Self-Adjusting Binding Pockets Enhance H2 and CH4 Adsorption in a Uranium-Based Metal‒Organic Framework |
| Authors of publication | Halter, Dominik P.; Klein, Ryan A.; Boreen, Michael; Trump, Benjamin A.; Brown, Craig M.; Long, Jeffrey R. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 17.7447 ± 0.0017 Å |
| b | 12.5982 ± 0.0012 Å |
| c | 9.2934 ± 0.0008 Å |
| α | 90° |
| β | 114.702 ± 0.004° |
| γ | 90° |
| Cell volume | 1887.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.7288 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252418 (current) | 2020-05-28 | cif/ Adding structures of 1558130 via cif-deposit CGI script. |
1558130.cif |
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