Information card for entry 4102637

Structure parameters

• Common name: H2Ir(OH)(P(CH2Ad)(i-Pr)2)2
• Formula: C34 H65 Ir O P2
• Calculated formula: C34 H65 Ir O P2
• SMILES: [IrH2]([P](CC12CC3CC(C1)CC(C2)C3)(C(C)C)C(C)C)([P](CC12CC3CC(C1)CC(C2)C3)(C(C)C)C(C)C)O
• Title of publication: Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations
• Authors of publication: Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8921 - 8923
• a: 10.429 ± 0.005 Å
• b: 13.741 ± 0.005 Å
• c: 13.801 ± 0.005 Å
• α: 116.142 ± 0.005°
• β: 90.733 ± 0.005°
• γ: 105.16 ± 0.005°
• Cell volume: 1694.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0224
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No