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Information card for entry 1548040
Preview
| Coordinates | 1548040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 Ca O6 S Xe0.42 |
|---|---|
| Calculated formula | C14 H8 Ca O6 S Xe0.421 |
| Title of publication | Metal-organic framework with optimally selective xenon adsorption and separation |
| Authors of publication | Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 11831 |
| a | 11.6193 ± 0.0005 Å |
| b | 5.5667 ± 0.0002 Å |
| c | 22.9312 ± 0.001 Å |
| α | 90° |
| β | 100.897 ± 0.004° |
| γ | 90° |
| Cell volume | 1456.47 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.2105 |
| Weighted residual factors for all reflections included in the refinement | 0.2231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.325 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203165 (current) | 2017-11-14 | cif/ Adding structures of 1548040 via cif-deposit CGI script. |
1548040.cif |
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