Information card for entry 4027061

Structure parameters

• Formula: C10 H15 Cl8 Ir O5 Sn3
• Calculated formula: C10 H15 Cl8 Ir O5 Sn3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]2345([Sn](Cl)(Cl)(O)O)([Sn](Cl)(Cl)Cl)[Sn](Cl)(Cl)Cl)C)C)C)C.O.O.O
• Title of publication: A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions
• Authors of publication: Arnab Kumar Maity; Sujit Roy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2935 - 2941
• a: 9.5026 ± 0.0004 Å
• b: 34.1358 ± 0.0013 Å
• c: 9.7418 ± 0.0004 Å
• α: 90°
• β: 116.922 ± 0.0009°
• γ: 90°
• Cell volume: 2817.6 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No