Information card for entry 7708964

Structure parameters

• Chemical name: 2b'
• Formula: C42 H54 N4 O2 Sn
• Calculated formula: C42 H54 N4 O2 Sn
• SMILES: [Sn]123Oc4c(cc(cc4C=[N]2[C@@H]([C@H]([NH]3Cc2ncccc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)c1ncccc1)C(C)(C)C)C(C)(C)C.[Sn]123Oc4c(cc(cc4C=[N]2[C@H]([C@@H]([NH]3Cc2ncccc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)c1ncccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms
• Authors of publication: Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 15.197 ± 0.0012 Å
• b: 15.6665 ± 0.001 Å
• c: 19.2301 ± 0.0015 Å
• α: 90°
• β: 91.923 ± 0.003°
• γ: 90°
• Cell volume: 4575.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0273
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No