Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 4100030
Preview
| Coordinates | 4100030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 I5.04 N48 Zn12 |
|---|---|
| Calculated formula | C96 I5.04 N48 Zn12 |
| Title of publication | Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8 |
| Authors of publication | Sava, Dorina F.; Rodriguez, Mark A.; Chapman, Karena W.; Chupas, Peter J.; Greathouse, Jeffery A.; Crozier, Paul S.; Nenoff, Tina M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Journal issue | 32 |
| Pages of publication | 12398 - 12401 |
| a | 17.0293 ± 0.0003 Å |
| b | 17.0293 Å |
| c | 17.0293 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4938.45 ± 0.09 Å3 |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| RFsqd | 0.12955 |
| Goodness-of-fit parameter for all reflections | 2.14 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.413914 Å |
| Diffraction radiation type | synchrotron |
| 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.