Information card for entry 4071932

Structure parameters

• Formula: C54 H72 N6 O3 Sn3
• Calculated formula: C54 H72 N6 O3 Sn3
• SMILES: [Sn]1(O[Sn](O[Sn](O1)(c1c(CN(C)C)cccc1)c1ccccc1CN(C)C)(c1ccccc1CN(C)C)c1ccccc1CN(C)C)(c1ccccc1CN(C)C)c1c(CN(C)C)cccc1
• Title of publication: Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥
• Authors of publication: Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5303
• a: 12.624 ± 0.0011 Å
• b: 35.226 ± 0.0015 Å
• c: 12.908 ± 0.003 Å
• α: 90 ± 0.01°
• β: 90 ± 0.006°
• γ: 90 ± 0.007°
• Cell volume: 5740.1 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No