Information card for entry 1516935

Structure parameters

• Formula: C22 H35 Cl2 N O3 Sn
• Calculated formula: C22 H35 Cl2 N O3 Sn
• SMILES: [Sn](OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1)(CCCC)(CCCC)CCCC
• 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: 47.1867 ± 0.0014 Å
• b: 10.1593 ± 0.0003 Å
• c: 25.3842 ± 0.0008 Å
• α: 90°
• β: 120.001 ± 0.002°
• γ: 90°
• Cell volume: 10538.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No