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Information card for entry 4000001
Preview
| Coordinates | 4000001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H0.98 D2.02 Fe O3 |
|---|---|
| Calculated formula | C7 H0.976 D2.024 Fe O3 |
| Title of publication | Hydrogen Storage in the Expanded Pore Metal–Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) |
| Authors of publication | Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 4 |
| Pages of publication | 1128 - 1138 |
| a | 21.848 ± 0.004 Å |
| b | 21.848 Å |
| c | 6.8136 ± 0.0025 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2816.6 ± 1.2 Å3 |
| Number of distinct elements | 5 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| RFsqd | 0.06722 |
| Goodness-of-fit parameter for all reflections | 1.3 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 2.078 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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