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Information card for entry 1561452
Preview
| Coordinates | 1561452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55.6 H34.6 Cl4.8 N9 |
|---|---|
| Calculated formula | C55.6 H34.6 Cl4.8 N9 |
| Title of publication | Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions |
| Authors of publication | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 11.7152 ± 0.0003 Å |
| b | 12.5774 ± 0.0003 Å |
| c | 17.5509 ± 0.0006 Å |
| α | 99.811 ± 0.002° |
| β | 93.572 ± 0.002° |
| γ | 101.07 ± 0.002° |
| Cell volume | 2488.73 ± 0.12 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0868 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.242 |
| Weighted residual factors for all reflections included in the refinement | 0.2517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263538 (current) | 2021-04-02 | cif/ Adding structures of 1561445, 1561446, 1561447, 1561448, 1561449, 1561450, 1561451, 1561452 via cif-deposit CGI script. |
1561452.cif |
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Users of the data should acknowledge the original authors of the
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