Information card for entry 1516936

Structure parameters

• Formula: C28 H23 Cl2 N O3 Sn
• Calculated formula: C28 H23 Cl2 N O3 Sn
• SMILES: [Sn](OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates
• Authors of publication: Farooq Ali Shah; Muhammad Sirajuddin; Saqib Ali; Syed Mustansar Abbas; Muhammad Nawaz Tahir; Corrado Rizzoli
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 159 - 162
• a: 10.361 ± 0.003 Å
• b: 27.083 ± 0.005 Å
• c: 9.692 ± 0.002 Å
• α: 90°
• β: 97.902 ± 0.007°
• γ: 90°
• Cell volume: 2693.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.051
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No