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Information card for entry 1544063
Preview
| Coordinates | 1544063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H24 Cu3 O15 |
|---|---|
| Calculated formula | C60 H24 Cu3 O15 |
| Title of publication | Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage |
| Authors of publication | Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. |
| Journal of publication | Energy Environ. Sci. |
| Year of publication | 2016 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3279 |
| a | 34.6 ± 0.018 Å |
| b | 34.6 ± 0.018 Å |
| c | 34.6 ± 0.018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 41422 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 229 |
| Hermann-Mauguin space group symbol | I m -3 m |
| Hall space group symbol | -I 4 2 3 |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.2134 |
| Weighted residual factors for all reflections included in the refinement | 0.2237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.