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Information card for entry 4517556
Preview
| Coordinates | 4517556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37.5 H42.5 N23.5 O13.5 Zn5 |
|---|---|
| Calculated formula | C32 H19 N21 O10 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 | 14.406 ± 0.003 Å |
| b | 15.241 ± 0.003 Å |
| c | 16.333 ± 0.003 Å |
| α | 97.6 ± 0.03° |
| β | 95.92 ± 0.03° |
| γ | 106.86 ± 0.03° |
| Cell volume | 3363.8 ± 1.4 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250539 (current) | 2020-04-10 | cif/ Adding structures of 4517556 via cif-deposit CGI script. |
4517556.cif |
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Users of the data should acknowledge the original authors of the
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