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Information card for entry 7112205
Preview
| Coordinates | 7112205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H35 Mn2 N O12 |
|---|---|
| Calculated formula | C47 H35 Mn2 N O12 |
| Title of publication | A highly stable MOF with a rod SBU and a tetracarboxylate linker: unusual topology and CO2 adsorption behaviour under ambient conditions |
| Authors of publication | Ru-Jin Li; Mian Li; Xiao-Ping Zhou; Dan Li; Michael O'Keeffe |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4047 |
| a | 6.997 ± 0.0002 Å |
| b | 25.4831 ± 0.0009 Å |
| c | 28.2642 ± 0.0008 Å |
| α | 90° |
| β | 92.712 ± 0.002° |
| γ | 90° |
| Cell volume | 5034 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1418 |
| Residual factor for significantly intense reflections | 0.1056 |
| Weighted residual factors for significantly intense reflections | 0.3062 |
| Weighted residual factors for all reflections included in the refinement | 0.3306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.