Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4030747
Preview
| Coordinates | 4030747.cif |
|---|
| Formula | C3 H18 F9 O18 S3 Sc |
|---|---|
| Calculated formula | C3 F9 O18 S3 Sc |
| SMILES | C(S(=O)(=O)[O-])(F)(F)F.[Sc]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(S(=O)(=O)[O-])(F)(F)F.C(F)(S(=O)(=O)[O-])(F)F |
| Title of publication | Crystal structure of scandium(III) triflate enneahydrated |
| Authors of publication | Bisi Castellani, C.; Carugo, O.; Giusti, M.; Sardone, N. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1995 |
| Journal volume | 32 |
| Pages of publication | 1089 - 1099 |
| a | 12.979 ± 0.001 Å |
| b | 12.979 ± 0.001 Å |
| c | 7.755 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1131.3 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178486 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/07. |
4030747.cif |
| 132647 | 2015-03-03 | cif/ Adding structures of 4030747 via cif-deposit CGI script. |
4030747.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.