Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089630
Preview
Coordinates | 4089630.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H16 Cl N3 O Pt |
---|---|
Calculated formula | C15 H16 Cl N3 O Pt |
SMILES | [Pt]12(=C3N(C=CN3C)c3c2cc(Cl)cc3)OC(=CC(=[NH]1)C)C |
Title of publication | C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands |
Authors of publication | Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 4 |
Pages of publication | 898 |
a | 8.1914 ± 0.0003 Å |
b | 12.5374 ± 0.0004 Å |
c | 15.5274 ± 0.0005 Å |
α | 90° |
β | 102.277 ± 0.0013° |
γ | 90° |
Cell volume | 1558.18 ± 0.09 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0142 |
Residual factor for significantly intense reflections | 0.0138 |
Weighted residual factors for significantly intense reflections | 0.034 |
Weighted residual factors for all reflections included in the refinement | 0.0342 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
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/4089630.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.