Information card for entry 4301614

Structure parameters

• Formula: C48 H59 Al N2 O Sn
• Calculated formula: C48 H59 Al N2 O Sn
• SMILES: [Sn](O[Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and Structural Characterization of Molecular Al-O-Sn(II) and Al-O-Sn(IV) Compounds
• Authors of publication: Sharanappa Nembenna; Sanjay Singh; Anukul Jana; Herbert W. Roesky; Ying Yang; Hongqi Ye; Holger Ott; Dietmar Stalke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2273 - 2276
• a: 11.46 ± 0.0008 Å
• b: 11.5128 ± 0.0008 Å
• c: 16.7507 ± 0.0012 Å
• α: 84.52 ± 0.001°
• β: 84.951 ± 0.001°
• γ: 81.884 ± 0.001°
• Cell volume: 2171.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No