Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003619
Preview
| Coordinates | 4003619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H37 Cl Cu N |
|---|---|
| Calculated formula | C24 H37 Cl Cu N |
| Title of publication | Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance? |
| Authors of publication | Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 9.9277 ± 0.0007 Å |
| b | 10.1798 ± 0.0005 Å |
| c | 23.3955 ± 0.0014 Å |
| α | 90° |
| β | 96.004 ± 0.006° |
| γ | 90° |
| Cell volume | 2351.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254123 (current) | 2020-07-09 | cif/ Adding structures of 4003615, 4003616, 4003617, 4003618, 4003619, 4003620, 4003621, 4003622 via cif-deposit CGI script. |
4003619.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.