Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7000359
Preview
Coordinates | 7000359.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H40 P2 Pt |
---|---|
Calculated formula | C52 H40 P2 Pt |
SMILES | [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Pt](C#Cc1ccccc1)(C#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4) |
Authors of publication | Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 4 |
Pages of publication | 610 |
a | 17.9771 ± 0.0003 Å |
b | 9.5527 ± 0.0001 Å |
c | 22.9326 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3938.21 ± 0.09 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0296 |
Residual factor for significantly intense reflections | 0.0181 |
Weighted residual factors for significantly intense reflections | 0.0481 |
Weighted residual factors for all reflections included in the refinement | 0.0508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
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/7000359.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.