Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514009
Preview
| Coordinates | 4514009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H65 Cd4 N13 O22 |
|---|---|
| Calculated formula | C74 H65 Cd4 N13 O22 |
| Title of publication | 2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2 and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol. |
| Authors of publication | Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| a | 16.548 ± 0.003 Å |
| b | 19.412 ± 0.003 Å |
| c | 18.462 ± 0.003 Å |
| α | 90° |
| β | 107.3 ± 0.003° |
| γ | 90° |
| Cell volume | 5662.3 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1202 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.2063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191212 (current) | 2017-02-03 | cif/ Adding structures of 4514009 via cif-deposit CGI script. |
4514009.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.