Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226800
Preview
| Coordinates | 7226800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 Cl2 Ir N2 O2 P |
|---|---|
| Calculated formula | C28 H32 Cl2 Ir N2 O2 P |
| Title of publication | Acetals from Primary Alcohols with the Use of Tridentate Proton Responsive Phosphinepyridonate Iridium Catalysts |
| Authors of publication | Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Sharma, Gangavaram VM; Suresh, Surisetti; Achard, Mathieu |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 40.484 ± 0.004 Å |
| b | 8.4074 ± 0.0008 Å |
| c | 21.803 ± 0.002 Å |
| α | 90° |
| β | 115.093 ± 0.003° |
| γ | 90° |
| Cell volume | 6720.6 ± 1.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1265 |
| Residual factor for significantly intense reflections | 0.0999 |
| Weighted residual factors for significantly intense reflections | 0.2702 |
| Weighted residual factors for all reflections included in the refinement | 0.2959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187335 (current) | 2016-10-14 | cif/ Adding structures of 7226800 via cif-deposit CGI script. |
7226800.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.