Information card for entry 1565919

Structure parameters

• Formula: C40 H40 N4 O6 Sn2
• Calculated formula: C40 H40 N4 O6 Sn2
• SMILES: [Sn]1(C)(C)(C)OC(=O)c2ccccc2N/N=C2\C(C=Cc3c2cccc3)=[O][Sn](C)(C)(C)OC(=O)c2ccccc2N/N=C2\C(C=Cc3c2cccc3)=[O]1
• Title of publication: Synthesis, structural characterization and antimicrobial activities of triorganotin(IV)azo-carboxylates derived from ortho/para-amino benzoic acids and β-naphthol
• Authors of publication: Debnath, Paresh; Das, Ankit; Singh, Keisham Surjit; Yama, Tage; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119172
• a: 12.9507 ± 0.0003 Å
• b: 20.3589 ± 0.0005 Å
• c: 7.0891 ± 0.0002 Å
• α: 90°
• β: 104.318 ± 0.002°
• γ: 90°
• Cell volume: 1811.07 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0182
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No