Information card for entry 4305261

Structure parameters

• Formula: C64 H166 O44 Sn12
• Calculated formula: C64 H166 O44 Sn12
• SMILES: C(C)[O]1[Sn]2345[O]6[Sn]71(OCC)(OCC)[O]1[Sn]89([O]5[Sn]5([O]2[Sn]([OH][Sn]2%10([O]%11[Sn]([O]2CC)([O](CC)[Sn]6%11([O]%10CC)(OCC)(OCC)OCC)(OCC)(OCC)OCC)(O3)[OH]5)([O]4CC)([OH]CC)(OCC)OCC)([O]8CC)(OCC)OCC)O[Sn]23([O]4[Sn]([O]3CC)([O](CC)[Sn]4([O]2CC)(OCC)(OCC)OCC)(OCC)(OCC)OCC)([OH]7)[OH][Sn]1([O]9CC)([OH]CC)(OCC)OCC
• Title of publication: Sn12O8(OH)4(OEt)28(HOEt)4: an Additional Member in the Family of Dodecameric Oxo Clusters
• Authors of publication: François Ribot; Eugenia Martínez-Ferrero; Kamal Boubekeur; Peter M. S. Hendrickx; Jose C. Martins; Luk Van Lokeren; Rudolph Willem; Monique Biesemans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5831 - 5840
• a: 11.979 ± 0.006 Å
• b: 13.562 ± 0.008 Å
• c: 18.618 ± 0.009 Å
• α: 93.83 ± 0.08°
• β: 102.77 ± 0.06°
• γ: 104.39 ± 0.04°
• Cell volume: 2833 ± 3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No