Information card for entry 7714985

Structure parameters

• Formula: C4 H14 Br4 N2 Sn
• Calculated formula: C4 H14 Br4 N2 Sn
• SMILES: [Sn](Br)(Br)(Br)(Br)[Br][Sn](Br)(Br)Br.[NH3+]CCCC[NH3+].[NH3+]CCCC[NH3+]
• Title of publication: [NH₃(CH₂)₄NH₃]SnX₄ (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.
• Authors of publication: Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2465 - 2470
• a: 11.6179 ± 0.0005 Å
• b: 11.8042 ± 0.0005 Å
• c: 19.4177 ± 0.0008 Å
• α: 90°
• β: 100.415 ± 0.002°
• γ: 90°
• Cell volume: 2619.07 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No