Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248628
Preview
Coordinates | 7248628.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H26 Cu I S2 |
---|---|
Calculated formula | C16 H26 Cu I 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 | 31.8836 ± 0.0012 Å |
b | 10.19 ± 0.0004 Å |
c | 22.9758 ± 0.0009 Å |
α | 90° |
β | 96.839 ± 0.001° |
γ | 90° |
Cell volume | 7411.6 ± 0.5 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0169 |
Residual factor for significantly intense reflections | 0.0165 |
Weighted residual factors for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections included in the refinement | 0.0403 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
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/7248628.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.