Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080073
Preview
Coordinates | 4080073.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H62 Cl Ir P2 Si |
---|---|
Calculated formula | C41 H62 Cl Ir P2 Si |
SMILES | c12c(cccc1c1c(cc(cc1C[Si]2(Cl)[Ir]1[P](C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium |
Authors of publication | Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 4 |
Pages of publication | 1016 |
a | 14.427 ± 0.005 Å |
b | 16.079 ± 0.005 Å |
c | 18.585 ± 0.005 Å |
α | 90 ± 0.005° |
β | 103.041 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 4200 ± 2 Å3 |
Cell temperature | 138 ± 2 K |
Ambient diffraction temperature | 138 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.125 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.1743 |
Weighted residual factors for all reflections included in the refinement | 0.1945 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71069 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/4080073.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.