Information card for entry 2226240

Structure parameters

• Chemical name: Poly[[aquadi-μ~3~-malonato-hexaphenylditin(IV)] acetone solvate]
• Formula: C42 H40 O6 Sn2
• Calculated formula: C42 H40 O6 Sn2
• SMILES: [Sn]([O]=C(O[Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[OH2])CC(=O)[O-])(c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)CC(=[O][Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[OH2].O=C(C)C.O=C(C)C
• Title of publication: Poly[[aquadi-μ~3~-malonato-hexaphenylditin(IV)] acetone solvate]
• Authors of publication: Win, Yip Foo; Teoh, Siang Guan; Vikneswaran, M. R.; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m695 - m696
• a: 23.604 ± 0.003 Å
• b: 23.604 ± 0.003 Å
• c: 13.8458 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7714.2 ± 1.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes