Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131485
Preview
| Coordinates | 4131485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C435 H344.5 B8 F32 Fe4 N54.5 Ni6 O13 |
|---|---|
| Calculated formula | C434.995 H344.5 B3 F12 Fe4 N54.5001 Ni6 O13.0002 |
| Title of publication | Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule. |
| Authors of publication | Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 32 |
| Pages of publication | 11008 - 11011 |
| a | 38.8188 ± 0.0008 Å |
| b | 38.8188 ± 0.0008 Å |
| c | 111.372 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 145342 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.1546 |
| Residual factor for significantly intense reflections | 0.1424 |
| Weighted residual factors for significantly intense reflections | 0.3763 |
| Weighted residual factors for all reflections included in the refinement | 0.3879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241675 (current) | 2019-11-25 | cif/ Adding structures of 4131485 via cif-deposit CGI script. |
4131485.cif |
All data in the COD 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.