Information card for entry 4066786

Structure parameters

• Formula: C22 H34 Ir2
• Calculated formula: C22 H34 Ir2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]162345C[Ir]23456([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)C1)C)C)C)C
• Title of publication: Extraction of Hydrogen from Alcohols by a Methylene-Bridged Iridium(I) Dinuclear Complex Having a Short Ir−Ir Double Bond
• Authors of publication: Nakai, Hidetaka; Nakano, Saori; Imai, Shunsuke; Isobe, Kiyoshi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4210
• a: 6.7259 ± 0.0003 Å
• b: 8.2968 ± 0.0003 Å
• c: 10.4452 ± 0.0005 Å
• α: 68.933 ± 0.005°
• β: 79.531 ± 0.006°
• γ: 67.621 ± 0.005°
• Cell volume: 502.27 ± 0.04 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No