Information card for entry 4003088

Structure parameters

• Formula: C16 H40 Cl5 N2 Sb
• Calculated formula: C16 H40 Cl5 N2 Sb
• Title of publication: Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency
• Authors of publication: Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• a: 12.6371 ± 0.001 Å
• b: 13.9398 ± 0.001 Å
• c: 14.1728 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2496.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No