Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043935
Preview
| Coordinates | 7043935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H38 Cl2 F10 Ir N3 P |
|---|---|
| Calculated formula | C39 H38 Cl2 F10 Ir N3 P |
| Title of publication | Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III) |
| Authors of publication | Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.213 ± 0.004 Å |
| b | 12.217 ± 0.004 Å |
| c | 13.801 ± 0.005 Å |
| α | 92.12 ± 0.004° |
| β | 101.748 ± 0.004° |
| γ | 95.488 ± 0.005° |
| Cell volume | 2003.4 ± 1.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199656 (current) | 2017-08-09 | cif/ Adding structures of 7043933, 7043934, 7043935 via cif-deposit CGI script. |
7043935.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.