Information card for entry 2230928

Structure parameters

• Chemical name: Trimethylphenylammonium μ-bromido-bis[dibromidobis(4-bromobenzyl)stannate(IV)]
• Formula: C37 H38 Br9 N Sn2
• Calculated formula: C37 H38 Br9 N Sn2
• SMILES: [Sn](Br)(Br)([Br][Sn](Br)(Br)(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1)(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1.[N+](c1ccccc1)(C)(C)C
• Title of publication: Trimethylphenylammonium μ-bromido-bis[dibromidobis(4-bromobenzyl)stannate(IV)]
• Authors of publication: Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m872
• a: 12.7274 ± 0.0002 Å
• b: 25.5126 ± 0.0003 Å
• c: 13.5135 ± 0.0002 Å
• α: 90°
• β: 100.854 ± 0.0007°
• γ: 90°
• Cell volume: 4309.46 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes