Information card for entry 7719115

Structure parameters

• Formula: C16 H44 Br6 Cu2 N4 O5
• Calculated formula: C16 H44 Br6 Cu2 N4 O5
• 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: 6.7234 ± 0.0002 Å
• b: 11.1613 ± 0.0003 Å
• c: 11.6567 ± 0.0004 Å
• α: 105.778 ± 0.003°
• β: 104.598 ± 0.002°
• γ: 101.286 ± 0.002°
• Cell volume: 781.13 ± 0.05 ų
• Cell temperature: 293.3 ± 0.4 K
• Ambient diffraction temperature: 293.3 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No