Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4060459
Preview
| Coordinates | 4060459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 Fe |
|---|---|
| Calculated formula | C28 H20 Fe |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82/C=C/c1ccc2ccc3cccc4ccc1c2c34 |
| Title of publication | Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads |
| Authors of publication | Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 9 |
| Pages of publication | 2051 - 2060 |
| a | 19.12 ± 0.03 Å |
| b | 7.379 ± 0.009 Å |
| c | 14.89 ± 0.03 Å |
| α | 90° |
| β | 110.62 ± 0.03° |
| γ | 90° |
| Cell volume | 1966 ± 5 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Duplicate of | 1100891 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Version history is temporarily not available due to server issues.
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.