Information card for entry 2005025

Structure parameters

• Chemical name: (3-diethylphosphonopropionato)triphenyltin
• Formula: C25 H29 O5 P Sn
• Calculated formula: C25 H29 O5 P Sn
• SMILES: [Sn](OC(=O)CCP(=O)(OCC)OCC)(c1ccccc1)(c1ccccc1)(c1ccccc1)[O]=P(OCC)(OCC)CCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [3-(Diethylphosphono)propionato]triphenyltin
• Authors of publication: Ng, S. W.; Kumar Das, V. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1373 - 1375
• a: 9.17 ± 0.001 Å
• b: 16.135 ± 0.0009 Å
• c: 17.697 ± 0.002 Å
• α: 90°
• β: 96.98 ± 0.006°
• γ: 90°
• Cell volume: 2599 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0545
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.0767
• Goodness-of-fit parameter for all reflections: 0.971
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No