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Information card for entry 4517358
Preview
| Coordinates | 4517358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H119 Cu9 N23 O47 |
|---|---|
| Calculated formula | C88 H32 Cu9 N12 O42 |
| Title of publication | Selective Acetylene Adsorption within an Imino Functionalized Nanocage-Based Metal-Organic Framework. |
| Authors of publication | Meng, Lingkun; Yang, Lixia; Chen, Cailing; Dong, Xinglong; Ren, Siyuan; Li, Guang Hua; Li, Yi; Han, Yu; Shi, Zhan; Feng, Shouhua |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 26.885 ± 0.005 Å |
| b | 26.637 ± 0.005 Å |
| c | 12.468 ± 0.003 Å |
| α | 90° |
| β | 116.42 ± 0.03° |
| γ | 90° |
| Cell volume | 7996 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.1956 |
| Weighted residual factors for all reflections included in the refinement | 0.2011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247261 (current) | 2020-01-28 | cif/ Adding structures of 4517358 via cif-deposit CGI script. |
4517358.cif |
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