Information card for entry 7248614

Structure parameters

• Formula: C24 H44 Br2 Cu2 S4
• Calculated formula: C24 H44 Br2 Cu2 S4
• 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: 8.7637 ± 0.0014 Å
• b: 15.977 ± 0.002 Å
• c: 11.262 ± 0.002 Å
• α: 90°
• β: 97.425 ± 0.005°
• γ: 90°
• Cell volume: 1563.7 ± 0.4 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• 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