Information card for entry 2230039

Structure parameters

• Chemical name: (2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV)
• Formula: C26 H22 Cl N O5 Sn
• Calculated formula: C26 H22 Cl N O5 Sn
• SMILES: [Sn](OC(=O)c1ccc(N(=O)=O)cc1Cl)([OH]C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV)
• Authors of publication: Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m535
• a: 9.0287 ± 0.0003 Å
• b: 13.5239 ± 0.0004 Å
• c: 20.7505 ± 0.0006 Å
• α: 90°
• β: 108.894 ± 0.001°
• γ: 90°
• Cell volume: 2397.19 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes