Information card for entry 4071426

Structure parameters

• Formula: C76 H89 O24 P5 Sn4
• Calculated formula: C76 H82 O24 P5 Sn4
• SMILES: [Sn]1234([O]5[Sn]6([O]1CC)(OP(=O)(Oc1c(cccc1C)C)O2)([O]=P1(Oc2c(cccc2C)C)O[Sn]5([O]=P(Oc2c(cccc2C)C)(O3)O)([O]=P(Oc2c(cccc2C)C)(O4)O[Sn]([OH]CC)(O1)(c1ccccc1)c1ccccc1)([O]=P(Oc2c(cccc2C)C)(O6)O)c1ccccc1)c1ccccc1)c1ccccc1.OCC
• Title of publication: Asymmetric Pentameric and Tetrameric Organooxotin Clusters: Insights into Their Formation through Partial Dearylation
• Authors of publication: Murugavel, Ramaswamy; Shanmugan, Swaminathan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2784
• a: 50.9261 ± 0.0017 Å
• b: 13.6704 ± 0.0017 Å
• c: 24.9438 ± 0.0009 Å
• α: 90°
• β: 91.687 ± 0.006°
• γ: 90°
• Cell volume: 17358 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No