Information card for entry 4325298

Structure parameters

• Common name: Ir2(dppm)(PPh(o-C6H4)CH2PPh2)(CNtBu)2Cl2H
• Formula: C64 H70 Cl2 Ir2 N2 O P4
• Calculated formula: C64 H70 Cl2 Ir2 N2 O P4
• SMILES: [IrH]123([Ir]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P@@](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1c3cccc1)(Cl)(Cl)C#[N]C(C)(C)C)C#[N]C(C)(C)C.O1CCCC1
• Title of publication: Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes
• Authors of publication: Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5223 - 5233
• a: 13.4826 ± 0.0016 Å
• b: 18.813 ± 0.002 Å
• c: 23.724 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6017.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No