Information card for entry 7063276

Structure parameters

• Formula: C4 H14 Br6 Cl2 N2 Sn
• Calculated formula: C4 H14 Br6 Cl2 N2 Sn
• Title of publication: Crystal structure, semiconducting and photoluminescence (PL) properties of hybrid tin perovskite-like materials: [Cl–(CH2)2–NH3]2SnCl6 and [Cl–(CH2)2–NH3]2SnBr5.65Cl0.35
• Authors of publication: Elghoul, Amal; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 12235 - 12245
• a: 10.3622 ± 0.0003 Å
• b: 7.4473 ± 0.0002 Å
• c: 12.3099 ± 0.0003 Å
• α: 90°
• β: 109.176 ± 0.003°
• γ: 90°
• Cell volume: 897.25 ± 0.04 ų
• Cell temperature: 293.5 ± 0.5 K
• Ambient diffraction temperature: 293.5 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No