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Information card for entry 7112055
Preview
| Coordinates | 7112055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H54 Cu6 O33 |
|---|---|
| Calculated formula | C84 Cu6 O33 |
| Title of publication | Coexistence of cages and one-dimensional channels in a porous MOF with high H2 and CH4 uptakes |
| Authors of publication | Jiandong Pang; Feilong Jiang; Mingyan Wu; Daqiang Yuan; Kang Zhou; Jinjie Qian; Kongzhao Sua; Maochun Hong |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2834 |
| a | 30.2922 ± 0.0013 Å |
| b | 30.2922 ± 0.0013 Å |
| c | 29.597 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 27159 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 123 |
| Hermann-Mauguin space group symbol | P 4/m m m |
| Hall space group symbol | -P 4 2 |
| Residual factor for all reflections | 0.2416 |
| Residual factor for significantly intense reflections | 0.1514 |
| Weighted residual factors for significantly intense reflections | 0.3906 |
| Weighted residual factors for all reflections included in the refinement | 0.4281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.