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Information card for entry 7248622
Preview
Coordinates | 7248622.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H104 Cu8 I8 S8 |
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Calculated formula | C64 H104 Cu8 I8 S8 |
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 | 11.8961 ± 0.0004 Å |
b | 18.938 ± 0.0007 Å |
c | 20.9008 ± 0.0007 Å |
α | 97.0884 ± 0.0014° |
β | 104.746 ± 0.0013° |
γ | 104.317 ± 0.0013° |
Cell volume | 4324.1 ± 0.3 Å3 |
Cell temperature | 250 ± 0.1 K |
Ambient diffraction temperature | 250 ± 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 | 0.0557 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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 | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248622.html
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