Information card for entry 1576134

Structure parameters

• Chemical name: CCD
• Formula: C12 H36 Al Cl6 O6 S6 Sb
• Calculated formula: C12 H36 Al Cl6 O6 S6 Sb
• Title of publication: Ultrafast Preparation of Amine-Free 0D Metal Halides with Near-Unity Emission for X-Ray Scintillators
• Authors of publication: Li, Hao; Wang, Zhaoyu; Wu, Junhong; Zhang, Tianyong; Long, Guankui; Jiang, Shuang
• Journal of publication: Nanoscale
• Year of publication: 2025
• a: 13.4727 ± 0.0004 Å
• b: 13.4727 ± 0.0004 Å
• c: 15.2171 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2392.06 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2727
• Weighted residual factors for all reflections included in the refinement: 0.277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No