Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089138
Preview
| Coordinates | 4089138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H40 B Ir P2 |
|---|---|
| Calculated formula | C24 H40 B Ir P2 |
| SMILES | [IrH2]123[H][B]([H]1)(c1c([P]2(C(C)C)C(C)C)cccc1)c1c([P]3(C(C)C)C(C)C)cccc1 |
| Title of publication | Synthesis and Characterization of PBP Pincer Iridium Complexes and Their Application in Alkane Transfer Dehydrogenation |
| Authors of publication | Shih, Wei-Chun; Ozerov, Oleg V. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 36 |
| Journal issue | 1 |
| Pages of publication | 228 |
| a | 11.5629 ± 0.0012 Å |
| b | 13.7995 ± 0.0015 Å |
| c | 16.2002 ± 0.0017 Å |
| α | 90° |
| β | 106.662 ± 0.001° |
| γ | 90° |
| Cell volume | 2476.4 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238007 (current) | 2019-11-24 | cif/ Adding structures of 4089138, 4089139 via cif-deposit CGI script. |
4089138.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.