Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064956
Preview
Coordinates | 4064956.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonsk32 |
---|---|
Chemical name | (dippe)Pt(COMe)(SEt) |
Formula | C18 H40 O P2 Pt S |
Calculated formula | C18 H40 O P2 Pt S |
SMILES | [Pt]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(SCC)C(=O)C |
Title of publication | C‒S Bond Activation of Thioesters Using Platinum(0) |
Authors of publication | Kundu, Sabuj; Brennessel, William W.; Jones, William D. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5147 |
a | 9.1292 ± 0.0005 Å |
b | 13.8932 ± 0.0008 Å |
c | 9.5412 ± 0.0006 Å |
α | 90° |
β | 109.756 ± 0.001° |
γ | 90° |
Cell volume | 1138.92 ± 0.12 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0553 |
Weighted residual factors for all reflections included in the refinement | 0.0577 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/4064956.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.