Information card for entry 7719114

Structure parameters

• Formula: C16 H42 Cl6 Cu2 N4 O5
• Calculated formula: C16 H42 Cl6 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: 6.6459 ± 0.0004 Å
• b: 11.1395 ± 0.0008 Å
• c: 11.3357 ± 0.0007 Å
• α: 104.956 ± 0.006°
• β: 104.126 ± 0.006°
• γ: 104.264 ± 0.006°
• Cell volume: 742.16 ± 0.1 ų
• Cell temperature: 293.7 ± 0.16 K
• Ambient diffraction temperature: 293.7 ± 0.16 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: 0.0952
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No