Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088004
Preview
| Coordinates | 4088004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.5 H65 Cl3 Ir N2 P |
|---|---|
| Calculated formula | C36.5 H53 Cl3 Ir N2 P |
| Title of publication | Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand |
| Authors of publication | Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 22 |
| Pages of publication | 5454 |
| a | 13.1256 ± 0.0011 Å |
| b | 13.7279 ± 0.0012 Å |
| c | 21.138 ± 0.0019 Å |
| α | 90° |
| β | 98.471 ± 0.004° |
| γ | 90° |
| Cell volume | 3767.2 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.028 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237192 (current) | 2019-11-24 | cif/ Adding structures of 4088002, 4088003, 4088004, 4088005 via cif-deposit CGI script. |
4088004.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.