Information card for entry 4071424

Structure parameters

• Formula: C106 H136 Cl O25 P5 Sn5
• Calculated formula: C106 H134 Cl O25 P5 Sn5
• SMILES: [Sn]1234([O]5[Sn]67([O]1CC)([O]=P(Oc1c(cccc1C(C)C)C(C)C)(O2)O[Sn](Cl)([O]=P(Oc1c(cccc1C(C)C)C(C)C)(O3)O[Sn]15([O]=P(Oc2c(cccc2C(C)C)C(C)C)(O6)O[Sn]([OH]CC)([OH2])([O]=P(Oc2c(cccc2C(C)C)C(C)C)(O4)O1)(c1ccccc1)c1ccccc1)([O]=P(Oc1c(cccc1C(C)C)C(C)C)(O7)O)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O
• 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: 15.6035 ± 0.0005 Å
• b: 22.6982 ± 0.0005 Å
• c: 32.5487 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11527.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No