Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225514
Preview
| Coordinates | 7225514.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H58 Cl2 Fe2 N4 O2 |
|---|---|
| Calculated formula | C63 H56 Cl2 Fe2 N4 O2 |
| Title of publication | Palladium-catalyzed direct C-H arylation of ferrocenecarboxamides with aryl halides |
| Authors of publication | Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Wu, Yusheng; Wu, Yangjie |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.7314 ± 0.0002 Å |
| b | 10.30632 ± 0.00019 Å |
| c | 17.8542 ± 0.0004 Å |
| α | 90° |
| β | 95.605 ± 0.0017° |
| γ | 90° |
| Cell volume | 2697.78 ± 0.09 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1388 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183451 (current) | 2016-06-14 | cif/ Adding structures of 7225513, 7225514 via cif-deposit CGI script. |
7225514.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.