Information card for entry 4073359

Structure parameters

• Formula: C34 H66 B22 O8 Sn2
• Calculated formula: C34 H66 B22 O8 Sn2
• SMILES: [BH]1234[BH]567[BH]892[BH]2%101[BH]1%11%12[BH]%1392[BH]268[BH]687[CH]735[BH]16([BH]4%10%117)[BH]%12%1328.[O]1(Cc2c(c(ccc2)COC)[Sn]21([OH][Sn]1([O](Cc3c1c(ccc3)COC)C)([OH]2)c1ccccc1)c1ccccc1)C.O.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([CH]37%10%12)[BH]13%13[BH]79%11[BH]968[BH]625[BH]4%141[BH]3796.O
• Title of publication: Dimeric Diorganotin Dications: Structure and Catalytic Activity in Alcohol Acetylation
• Authors of publication: Kašná, Blanka; Dostál, Libor; Císařová, Ivana; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 4080
• a: 9.5 ± 0.0002 Å
• b: 12.052 ± 0.0003 Å
• c: 13.007 ± 0.0003 Å
• α: 62.773 ± 0.0012°
• β: 76.968 ± 0.0014°
• γ: 76.994 ± 0.0014°
• Cell volume: 1277.28 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No