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Information card for entry 4349505
Preview
| Coordinates | 4349505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H10 Cu N2 O8 |
|---|---|
| Calculated formula | C21 H10 Cu N2 O8 |
| Title of publication | An anionic metal‒organic framework based on angular tetracarboxylic acid and a mononuclear copper ion for selective gas adsorption |
| Authors of publication | Jiao, Jingjing; Liu, Huimin; Chen, Fengli; Bai, Dongjie; Xiong, Shunshun; He, Yabing |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | 1411 |
| a | 22.7393 ± 0.0015 Å |
| b | 22.7393 ± 0.0015 Å |
| c | 10.7316 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4805.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 171 |
| Hermann-Mauguin space group symbol | P 62 |
| Hall space group symbol | P 62 |
| Residual factor for all reflections | 0.1148 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.2992 |
| Weighted residual factors for all reflections included in the refinement | 0.3149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234834 (current) | 2019-11-23 | cif/ Adding structures of 4349505 via cif-deposit CGI script. |
4349505.cif |
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