Information card for entry 4070431

Structure parameters

• Formula: C12 H46 K6 O38 Sn6
• Calculated formula: C12 H18 K6 O38 Sn6
• SMILES: C[Sn]1234[O]5[Sn]678(C)[O]9[Sn]%10%11(C)([O]%12[Sn]%13(C)([O]2[Sn]5(C)([O]8%10)(OC(=O)O1)OC(O6)=O)([O]3[Sn]9%12(C)(OC(O%11)=O)OC(=O)O%13)OC(=O)O4)OC(O7)=O.[K+].O.[K+].[K+].O.O.O.O.O.O.[K+].O.[K+].[K+].O.O.O.O.O.O
• Title of publication: Hexameric Methylstannoxyl Carbonate Ion [MeSn(O)CO3]66−. A Missing Link with a Drum-Type Structure
• Authors of publication: Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7053
• a: 9.5723 ± 0.0017 Å
• b: 11.724 ± 0.002 Å
• c: 11.838 ± 0.002 Å
• α: 62.772 ± 0.014°
• β: 76.188 ± 0.016°
• γ: 87.759 ± 0.015°
• Cell volume: 1143.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0865
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No