Information card for entry 7718595

Structure parameters

• Chemical name: trimethylsulfonium iodocuprate
• Formula: C3 H9 Cu2 I3 S
• Calculated formula: C9 H24 Cu6 I9 S3
• 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: 17.7139 ± 0.0014 Å
• b: 6.3941 ± 0.0006 Å
• c: 29.86 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.1 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No