Information card for entry 7063275

Structure parameters

• Formula: C4 H14 Cl8 N2 Sn
• Calculated formula: C4 H14 Cl8 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
• a: 10.1028 ± 0.0007 Å
• b: 7.1224 ± 0.0005 Å
• c: 11.7984 ± 0.0007 Å
• α: 90°
• β: 108.009 ± 0.007°
• γ: 90°
• Cell volume: 807.38 ± 0.1 ų
• Cell temperature: 293.5 ± 0.5 K
• Ambient diffraction temperature: 293.5 ± 0.5 K
• Number of distinct elements: 5
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No