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Information card for entry 4517555
Preview
| Coordinates | 4517555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H44 N20 O12 Zn5 |
|---|---|
| Calculated formula | C34 H22 N18 O9 Zn5 |
| Title of publication | Highly Selective Separation of C3H8 and C2H2 over CH4 within Two Water-Stable Zn5 Cluster-Based Metal-Organic Frameworks. |
| Authors of publication | Kan, Liang; Li, Guanghua; Liu, Yunling |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 12.219 ± 0.002 Å |
| b | 15.7 ± 0.003 Å |
| c | 15.737 ± 0.003 Å |
| α | 101.19 ± 0.03° |
| β | 97.41 ± 0.03° |
| γ | 92.52 ± 0.03° |
| Cell volume | 2929.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250538 (current) | 2020-04-10 | cif/ Adding structures of 4517555 via cif-deposit CGI script. |
4517555.cif |
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