Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072017
Preview
Coordinates | 4072017.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 Cl2 N2 O Pt Si |
---|---|
Calculated formula | C23 H26 Cl2 N2 O Pt Si |
SMILES | [Pt]1(N(C(=CC(=[N]1c1ccc(Cl)cc1)C)C)c1ccc(Cl)cc1)(C#[O])C[Si](C)(C)C=C |
Title of publication | Alkyne Insertion into the Pt−H Bond of Pt(H)(1-pentene)(β-diiminate) Initiates a Reaction Cascade That Results in C−H Activation or C−C Coupling |
Authors of publication | West, Nathan M.; White, Peter S.; Templeton, Joseph L. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5252 |
a | 12.6224 ± 0.0005 Å |
b | 9.555 ± 0.0004 Å |
c | 20.1223 ± 0.0008 Å |
α | 90° |
β | 91.486 ± 0.002° |
γ | 90° |
Cell volume | 2426.07 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0278 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4072017.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.