Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546253
Preview
Coordinates | 1546253.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H29 Cl F2 N P Pt |
---|---|
Calculated formula | C38 H29 Cl F2 N P Pt |
SMILES | [Pt]123(Cl)([P](Cc4c3cccc4)(Cc3ccccc3)Cc3ccccc3)c3cc(F)ccc3c3[n]1c(ccc3)c1ccc(cc21)F |
Title of publication | Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre |
Authors of publication | Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 11.3911 ± 0.0003 Å |
b | 11.7933 ± 0.0004 Å |
c | 12.863 ± 0.0003 Å |
α | 100.845 ± 0.002° |
β | 97.595 ± 0.002° |
γ | 117.163 ± 0.003° |
Cell volume | 1462.19 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1546253.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.