Information card for entry 2230065

Structure parameters

• Chemical name: (Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV)
• Formula: C27 H24 N2 O7 Sn
• Calculated formula: C27 H24 N2 O7 Sn
• SMILES: [Sn](OC(=O)c1c(c(cc(N(=O)=O)c1)N(=O)=O)C)(c1ccccc1)(c1ccccc1)(c1ccccc1)[OH]C
• Title of publication: (Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV)
• Authors of publication: Danish, Muhammad; Ghafoor, Sabiha; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m519
• a: 8.0597 ± 0.0016 Å
• b: 20.094 ± 0.004 Å
• c: 16.022 ± 0.003 Å
• α: 90°
• β: 95.29 ± 0.03°
• γ: 90°
• Cell volume: 2583.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes