Information card for entry 4074285

Structure parameters

• Formula: C32 H57 B18 Co O2 Sn
• Calculated formula: C32 H57 B18 Co O2 Sn
• SMILES: [Sn]12(c3c(cccc3C[O]2C(C)(C)C)C[O]1C(C)(C)C)(c1ccccc1)c1ccccc1.[Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[BH]294[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)[CH]123[CH]495[BH]5%103[BH]3%112[BH]261[BH]168[BH]874[BH]49%10[BH]75%11[BH]321[BH]6847
• Title of publication: Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion
• Authors of publication: Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5139
• a: 22.428 ± 0.0001 Å
• b: 14.053 ± 0.0002 Å
• c: 26.975 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8502 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No