Information card for entry 7055200

Structure parameters

• Formula: C14 H12 N2 O6
• Calculated formula: C14 H12 N2 O6
• SMILES: C(=O)(c1ccccc1/N=N/c1cc(c(cc1)O)C(=O)O)O.O
• Title of publication: Synthesis, characterization and anti-diabetic assay of diorganotin(iv) azo-carboxylates: crystal structure and topological studies of azo-dicarboxylic acid ligand and its cyclic tetranuclear dimethyltin(iv) complex
• Authors of publication: Roy, Manojit; Roy, Subhadip; Singh, Keisham Surjit; Kalita, Janmoni; Singh, S. Sureshkumar
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 1471
• a: 26.7027 ± 0.0014 Å
• b: 3.8296 ± 0.0002 Å
• c: 13.3781 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.05 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No