Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518311
Preview
Coordinates | 1518311.cif |
---|
Formula | C26 H22 N2 O2 Pt |
---|---|
Calculated formula | C26 H22 N2 O2 Pt |
SMILES | [Pt]1([n]2cccc3c2c2[n]1cccc2cc3)(Oc1ccc(cc1)C)Oc1ccc(cc1)C |
Title of publication | Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol derivatives and first comparison between single crystal X-ray structures of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state |
Authors of publication | Michele Benedetti; Daniela Antonucci; Chiara R. Girelli; Francesco Capitelli; Francesco P. Fanizzi |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2014 |
Journal volume | 409 |
Pages of publication | 427 - 432 |
a | 15.625 ± 0.001 Å |
b | 17.086 ± 0.001 Å |
c | 22.289 ± 0.002 Å |
α | 90° |
β | 131.467 ± 0.008° |
γ | 90° |
Cell volume | 4458.9 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1434 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/1518311.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.