Information card for entry 4071425

Structure parameters

• Formula: C108 H140 Cl O25 P5 Sn5
• Calculated formula: C108 H137 Cl O25 P5 Sn5
• SMILES: [Sn]1234([O][Sn]567([O]1[Sn]1([O]=P(Oc8c(cccc8C(C)C)C(C)C)(O4)O[Sn](Cl)([O]=P(O3)(Oc3c(cccc3C(C)C)C(C)C)O6)(c3ccccc3)c3ccccc3)([O]=P(Oc3c(cccc3C(C)C)C(C)C)(O7)O[Sn]([OH]C(C)C)([OH2])([O]=P(Oc3c(cccc3C(C)C)C(C)C)(O2)O1)(c1ccccc1)c1ccccc1)([O]=P(Oc1c(cccc1C(C)C)C(C)C)(O5)O)c1ccccc1)c1ccccc1)c1ccccc1.CC(C)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: 15.7555 ± 0.0002 Å
• b: 22.6489 ± 0.0003 Å
• c: 32.587 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11628.5 ± 0.3 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: 0.0711
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No