Information card for entry 2213075

Structure parameters

• Chemical name: Aqua(5-bromidonicotinato)trimethyltin(IV)
• Formula: C9 H14 Br N O3 Sn
• Calculated formula: C9 H14 Br N O3 Sn
• SMILES: [Sn]1(OC(=[O]1)c1cncc(Br)c1)([OH2])(C)(C)C
• Title of publication: Aqua(5-bromidonicotinato)trimethyltin(IV)
• Authors of publication: Hong-Yun Wang; Han-Dong Yin; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1226 - m1227
• a: 10.9478 ± 0.0018 Å
• b: 12.688 ± 0.002 Å
• c: 19.479 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2705.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes