Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4343611
Preview
| Coordinates | 4343611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H40 Ir N4 S2 |
|---|---|
| Calculated formula | C46 H40 Ir N4 S2 |
| Title of publication | Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands. |
| Authors of publication | Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 14 |
| Pages of publication | 7122 - 7131 |
| a | 10.935 ± 0.003 Å |
| b | 11.113 ± 0.003 Å |
| c | 17.087 ± 0.004 Å |
| α | 83.328 ± 0.003° |
| β | 80.841 ± 0.003° |
| γ | 65.852 ± 0.003° |
| Cell volume | 1867.6 ± 0.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0222 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154608 (current) | 2015-09-06 | cif/ Updating files of 4343610, 4343611, 4343612, 4343613 Original log message: Adding full bibliography for 4343610--4343613.cif. |
4343611.cif |
| 141495 | 2015-07-10 | cif/ Adding structures of 4343610, 4343611, 4343612, 4343613 via cif-deposit CGI script. |
4343611.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.