Information card for entry 2008777

Structure parameters

• Common name: Aquotrimethyltin(4-(4-chlorophenyl)-2-phenyl-5-thiazoleacetate)
• Chemical name: Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetate-O]trimethyltin(IV)
• Formula: C20 H22 Cl N O3 S Sn
• Calculated formula: C20 H22 Cl N O3 S Sn
• SMILES: [Sn]([OH2])(OC(=O)Cc1sc(nc1c1ccc(Cl)cc1)c1ccccc1)(C)(C)C
• Title of publication: Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-<i>O</i>]trimethyltin(IV)
• Authors of publication: Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Khokhar, M. Nawaz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1280 - 1282
• a: 12.6008 ± 0.0011 Å
• b: 11.349 ± 0.003 Å
• c: 15.634 ± 0.002 Å
• α: 90°
• β: 94.888 ± 0.009°
• γ: 90°
• Cell volume: 2227.6 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 7
• 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: 0.055
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No