Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1545895
Preview
| Coordinates | 1545895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 Cu2 I2 N4 |
|---|---|
| Calculated formula | C8 H24 Cu2 I2 N4 |
| Title of publication | Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems |
| Authors of publication | Jin, Xiaodong; Davies, Robert P. |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2017 |
| a | 13.3569 ± 0.001 Å |
| b | 11.5554 ± 0.0008 Å |
| c | 11.4189 ± 0.0009 Å |
| α | 90° |
| β | 95.026 ± 0.007° |
| γ | 90° |
| Cell volume | 1755.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195832 (current) | 2017-04-28 | cif/ Adding structures of 1545893, 1545894, 1545895 via cif-deposit CGI script. |
1545895.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.