Information card for entry 7226231

Structure parameters

• Formula: C16.5 H21 N O6.5 S Sn
• Calculated formula: C16 H19 N O6 S Sn
• SMILES: c12c(cccc1/C=[NH+]/c1ccccc1S(=O)(=O)[O-])O[Sn](C)(C)(O2)[OH]C
• Title of publication: A Sulfonated Schiff Base Dimethyltin(IV) Coordination Polymer: Synthesis, Characterization and Application as a Catalyst for Ultrasound- or Microwave-Assisted Baeyer-Villiger Oxidation under Solvent-free Conditions
• Authors of publication: Martins, Luísa Margarida; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 23.3403 ± 0.001 Å
• b: 11.8569 ± 0.0005 Å
• c: 14.2652 ± 0.0006 Å
• α: 90°
• β: 104 ± 0.002°
• γ: 90°
• Cell volume: 3830.5 ± 0.3 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No