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Information card for entry 4517517
Preview
| Coordinates | 4517517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H4 Ca2 O10 |
|---|---|
| Calculated formula | C11 H4 Ca2 O10 |
| Title of publication | Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene. |
| Authors of publication | Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 20.222 ± 0.003 Å |
| b | 18.433 ± 0.003 Å |
| c | 7.6641 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2856.8 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249733 (current) | 2020-03-27 | cif/ Adding structures of 4517517 via cif-deposit CGI script. |
4517517.cif |
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Users of the data should acknowledge the original authors of the
structural data.