Information card for entry 4022813

Structure parameters

• Formula: C16 H24 Cl10 Ir2 Sn2
• Calculated formula: C16 H24 Cl10 Ir2 Sn2
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Ir]1234([Cl][Ir]234([CH]5=[CH]2CC[CH]3=[CH]4CC5)([Cl]1)(Cl)[Sn](Cl)(Cl)Cl)(Cl)[Sn](Cl)(Cl)Cl
• Title of publication: Secondary Benzylation with Benzyl Alcohols Catalyzed by A High-Valent Heterobimetallic Ir-Sn Complex
• Authors of publication: Susmita Podder; Joyanta Choudhury; Sujit Roy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3129 - 3132
• a: 7.51 ± 0.02 Å
• b: 8.08 ± 0.02 Å
• c: 12.98 ± 0.02 Å
• α: 80.83 ± 0.07°
• β: 83.69 ± 0.08°
• γ: 87.54 ± 0.06°
• Cell volume: 773 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No