Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7700007
Preview
| Coordinates | 7700007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Hf(3,4,3-HOPO) trihydrate |
|---|---|
| Formula | C34 H40 Hf N8 O15 |
| Calculated formula | C34 H40 Hf N8 O15 |
| Title of publication | Inducing selectivity and chirality in group IV metal coordination with high-denticity hydroxypyridinones. |
| Authors of publication | Deblonde, Gauthier J.-P.; Lohrey, Trevor D.; Abergel, Rebecca J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 23 |
| Pages of publication | 8238 - 8247 |
| a | 16.0989 ± 0.0007 Å |
| b | 16.9738 ± 0.0007 Å |
| c | 13.3829 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3657 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.018 |
| Residual factor for significantly intense reflections | 0.0176 |
| Weighted residual factors for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.0461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700007.cif |
| 224433 | 2019-11-08 | cif/ Updating files of 7700007 Original log message: Adding full bibliography for 7700007.cif. |
7700007.cif |
| 215228 | 2019-05-17 | cif/ Adding structures of 7700007 via cif-deposit CGI script. |
7700007.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.