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Information card for entry 4518180
Preview
| Coordinates | 4518180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H4.6 N7 O5.3 Pr |
|---|---|
| Calculated formula | C6 H4.6 N7 O5.3 Pr |
| Title of publication | A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation |
| Authors of publication | Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam |
| Journal of publication | ACS Applied Materials & Interfaces |
| Year of publication | 2020 |
| a | 8.6806 ± 0.0003 Å |
| b | 8.6806 ± 0.0003 Å |
| c | 20.1518 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1518.49 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 95 |
| Hermann-Mauguin space group symbol | P 43 2 2 |
| Hall space group symbol | P 4cw 2c |
| Residual factor for all reflections | 0.0171 |
| Residual factor for significantly intense reflections | 0.0171 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258601 (current) | 2020-10-27 | cif/ Adding structures of 4518180 via cif-deposit CGI script. |
4518180.cif |
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Users of the data should acknowledge the original authors of the
structural data.