Information card for entry 7113901

Structure parameters

• Chemical name: bis-(1,5-cyclooctadiene)-di-μ-(ethoxy)diirydium (I)
• Formula: C20 H34 Ir2 O2
• Calculated formula: C20 H34 Ir2 O2
• SMILES: [CH]12[Ir]345([CH](CC2)=[CH]4CC[CH]=13)[O](CC)[Ir]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)[O]5CC
• Title of publication: Alkoxy/siloxy group exchange in the system vinyltrialkoxysilane‒iridium(I) siloxide complex
• Authors of publication: Kownacki, Ireneusz; Marciniec, Bogdan; Kubicki, Maciej
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 76 - 77
• a: 12.5233 ± 0.0009 Å
• b: 6.4252 ± 0.0004 Å
• c: 12.5949 ± 0.0009 Å
• α: 90°
• β: 93.558 ± 0.006°
• γ: 90°
• Cell volume: 1011.49 ± 0.12 ų
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103621
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No