Information card for entry 2201202

Structure parameters

• Formula: C34 H64 Cl12 O18 Sn6
• Calculated formula: C34 H64 Cl12 O18 Sn6
• SMILES: C1(=[O][Sn]234(C(C)C)[O]5[Sn]67(O1)([O]2[Sn]12([O]8[Sn]9%10%11(C(C)C)[O]([Sn]8([O]31)([O]=C(C)O9)(OC(C)=[O]2)C(C)C)[Sn]5([O]6%11)([O]=C(C)O7)(OC(=[O]%10)C)C(C)C)([O]=C(C)[O]4)C(C)C)C(C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Hexameric isopropyloxotin acetate chloroform tetrasolvate
• Authors of publication: Kuan, Fong Sheen; Dakternieks, Dainis; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m301 - m303
• a: 13.2736 ± 0.0014 Å
• b: 13.5405 ± 0.0016 Å
• c: 17.3572 ± 0.0019 Å
• α: 90°
• β: 92.007 ± 0.003°
• γ: 90°
• Cell volume: 3117.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes