Information card for entry 7719113

Structure parameters

• Formula: C8 H21 Cu I3 N2 O2.5
• Calculated formula: C8 H21 Cu I3 N2 O2.5
• Title of publication: Efficient single-phase tunable dual-color emission copper(I) scintillators for X-ray imaging.
• Authors of publication: Wang, Yihao; Yan, Zhengguang; Li, Chen; Du, Yiping; Xiao, Jiawen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 11732 - 11742
• a: 6.8208 ± 0.0003 Å
• b: 23.0476 ± 0.0009 Å
• c: 21.3553 ± 0.001 Å
• α: 90°
• β: 98.587 ± 0.004°
• γ: 90°
• Cell volume: 3319.5 ± 0.3 ų
• Cell temperature: 293.02 ± 0.1 K
• Ambient diffraction temperature: 293.02 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No