Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559270
Preview
| Coordinates | 1559270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H77.78 B2 Ir2 O2 P4 |
|---|---|
| Calculated formula | C54 H77.775 B2 Ir2 O2 P4 |
| Title of publication | Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene |
| Authors of publication | Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 18.4602 ± 0.0007 Å |
| b | 18.1913 ± 0.0008 Å |
| c | 16.0356 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5385 ± 0.4 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257194 (current) | 2020-10-06 | cif/ Adding structures of 1559268, 1559269, 1559270 via cif-deposit CGI script. |
1559270.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.