Information card for entry 4003087

Structure parameters

• Formula: C26 H44 Cl5 N2 Sb
• Calculated formula: C26 H44 Cl5 N2 Sb
• SMILES: [Sb](Cl)(Cl)([Cl-])([Cl-])Cl.[N+](Cc1ccccc1)(CC)(CC)CC.[N+](Cc1ccccc1)(CC)(CC)CC
• 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: 9.2542 ± 0.0001 Å
• b: 13.6419 ± 0.0002 Å
• c: 24.1148 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3044.37 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No