Information card for entry 7062916

Structure parameters

• Formula: C27 H23 N O2 Sn
• Calculated formula: C27 H23 N O2 Sn
• SMILES: C(=O)(c1ccc(cc1)/N=C/c1ccc2ccc3cccc4ccc1c2c34)O[Sn](C)(C)C
• Title of publication: Synthesis, characterization, and anticancer potential of pyrene-appended Schiff base tin(iv) complexes: experimental and computational insights
• Authors of publication: Paul, Anup; Khan, Rais Ahmad; Shaik, Gouse M.; Shaik, Jilani P.; Nesterov, Dmytro S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2907 - 2919
• a: 18.047 ± 0.003 Å
• b: 10.1048 ± 0.0014 Å
• c: 12.5842 ± 0.0018 Å
• α: 90°
• β: 101.298 ± 0.005°
• γ: 90°
• Cell volume: 2250.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1348
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No