Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248613
Preview
Coordinates | 7248613.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 Cl2 Cu S2 |
---|---|
Calculated formula | C12 H22 Cl2 Cu S2 |
Title of publication | Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties |
Authors of publication | Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
a | 8.7545 ± 0.0014 Å |
b | 10.0042 ± 0.0015 Å |
c | 11.2498 ± 0.0015 Å |
α | 64.22 ± 0.006° |
β | 70.764 ± 0.006° |
γ | 82.779 ± 0.007° |
Cell volume | 837.5 ± 0.2 Å3 |
Cell temperature | 115 ± 0.1 K |
Ambient diffraction temperature | 115 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα~1~ |
Diffraction radiation X-ray symbol | K-L~3~ |
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/7248613.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.