Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4074973
Preview
Coordinates | 4074973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H41 F5 Ir N O3 P2 |
---|---|
Calculated formula | C29 H41 F5 Ir N O3 P2 |
SMILES | [IrH]12([P](Oc3cccc(c23)O[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])Nc1c(c(c(c(c1F)F)F)F)F |
Title of publication | Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination. |
Authors of publication | Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 7 |
Pages of publication | 1664 - 1675 |
a | 7.8644 ± 0.0012 Å |
b | 18.856 ± 0.003 Å |
c | 21.332 ± 0.003 Å |
α | 90° |
β | 96.482 ± 0.003° |
γ | 90° |
Cell volume | 3143.1 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0576 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.073 |
Weighted residual factors for all reflections included in the refinement | 0.0871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4074973.html
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.