Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 4000005
Preview
| Coordinates | 4000005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H D11.14 Fe O3 |
|---|---|
| Calculated formula | C7 H D11.13 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 | 21.847 ± 0.005 Å |
| b | 21.847 Å |
| c | 6.8729 ± 0.0021 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2840.9 ± 1.1 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 | 0.09831 |
| Goodness-of-fit parameter for all reflections | 1.55 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 2.078 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Please log in to view the version history.
All data in the TESTCOD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.