Information card for entry 4102640

Structure parameters

• Common name: [Li(Et2O)][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)
• Formula: C38 H72 Ir Li O P2
• Calculated formula: C38 H72 Ir Li O P2
• SMILES: [IrH]1([P](CC23[C@@H]1C1C[C@@H](C2)C[C@H](C1)C3)(C(C)C)C(C)C)[P](C(C)C)(CC12CC3CC(C2)CC(C1)C3)C(C)C.[O]([Li])(CC)CC
• 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: 10.918 ± 0.003 Å
• b: 16.463 ± 0.005 Å
• c: 21.628 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3887 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No