Information card for entry 4325294

Structure parameters

• Common name: Ir2(tfepma)2(CNtBu)2Cl3H
• Formula: C28 H41 Cl3 F24 Ir2 N4 O8 P4
• Calculated formula: C28 H41 Cl3 F24 Ir2 N4 O8 P4
• SMILES: [Ir]12([IrH]([P](N([P]1(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)([P](N([P]2(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)(Cl)C#[N]C(C)(C)C)(Cl)(Cl)C#[N]C(C)(C)C
• 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: 11.969 ± 0.001 Å
• b: 12.9308 ± 0.0011 Å
• c: 18.8604 ± 0.0016 Å
• α: 86.661 ± 0.001°
• β: 82.484 ± 0.001°
• γ: 66.698 ± 0.001°
• Cell volume: 2657.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No