Information card for entry 4071931

Structure parameters

• Formula: C72 H96 N8 O4 Sn4
• Calculated formula: C72 H96 N8 O4 Sn4
• SMILES: [Sn]1(c2ccccc2CN(C)C)(O[Sn](O[Sn](O[Sn](O1)(c1c(CN(C)C)cccc1)c1c(CN(C)C)cccc1)(c1c(CN(C)C)cccc1)c1c(cccc1)CN(C)C)(c1c(CN(C)C)cccc1)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: 18.4351 ± 0.0002 Å
• b: 20.4054 ± 0.0002 Å
• c: 45.0092 ± 0.0006 Å
• α: 90°
• β: 100.51 ± 0.03°
• γ: 90°
• Cell volume: 16647.3 ± 1.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.1914
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No