Information card for entry 7718594

Structure parameters

• Chemical name: trimethylsulfonium bromocuprate
• Formula: C6 H18 Br3 Cu S2
• Calculated formula: C6 H18 Br3 Cu S2
• Title of publication: Crystal structures and luminescence properties of halocuprates with trimethylsulfonium cations.
• Authors of publication: Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.; Petrov, Andrey V.; Khrustalev, Victor N.; Tarasov, Alexey B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 9088 - 9094
• a: 14.3468 ± 0.0009 Å
• b: 10.2589 ± 0.0006 Å
• c: 12.0601 ± 0.0008 Å
• α: 90°
• β: 124.698 ± 0.002°
• γ: 90°
• Cell volume: 1459.37 ± 0.16 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.044
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0689
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No