Information card for entry 2104791

Structure parameters

• Formula: C H6 Br3 N Sn
• Calculated formula: C Br3 N Sn
• SMILES: [Sn](Br)(Br)(Br)[Br][Sn](Br)Br.[NH3+]C.[NH3+]C
• Title of publication: Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH~3~NH~3~SnBr~3~
• Authors of publication: Swainson, Ian; Chi, Lisheng; Her, Jae-Hyuk; Cranswick, Lachlan; Stephens, Peter; Winkler, Björn; Wilson, Daniel J.; Milman, Victor
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: 422 - 429
• a: 5.89406 ± 0.00017 Å
• b: 8.38619 ± 0.00023 Å
• c: 8.24063 ± 0.00022 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 407.32 ± 0.02 ų
• Cell temperature: 215 ± 1 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Residual factor R(I) for significantly intense reflections: 0.0687
• Goodness-of-fit parameter for all reflections: 2.011
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.700136 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No