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Information card for entry 1558915
Preview
| Coordinates | 1558915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cu F6 N5 O5 Zr |
|---|---|
| Calculated formula | C13 H15 Cu F6 N5 O5 Zr |
| Title of publication | Molecular Sieving of C2H4 from C2H2 by a Supramolecular Porous Material |
| Authors of publication | Huang, Yuhang; Xu, Yun; Zheng, Baishu; Wang, Zhaoxu; Dong, Qiubing; Duan, Jingui |
| Journal of publication | Energy & Fuels |
| Year of publication | 2020 |
| a | 8.38 ± 0.005 Å |
| b | 17.031 ± 0.01 Å |
| c | 14.817 ± 0.009 Å |
| α | 90° |
| β | 93.868 ± 0.01° |
| γ | 90° |
| Cell volume | 2110 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1271 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.1991 |
| Weighted residual factors for all reflections included in the refinement | 0.2274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255664 (current) | 2020-08-27 | cif/ Adding structures of 1558915 via cif-deposit CGI script. |
1558915.cif |
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