Information card for entry 4102945

Structure parameters

• Formula: C31 H50 Ir N P2
• Calculated formula: C31 H50 Ir N P2
• SMILES: [IrH2]12([P](C(C)(C)C)(C(C)(C)C)Cc3cccc(c23)C[P]1(C(C)(C)C)C(C)(C)C)C#[N]c1ccccc1
• Title of publication: N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes
• Authors of publication: Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11458 - 11460
• a: 20.6955 ± 0.001 Å
• b: 20.6955 ± 0.001 Å
• c: 14.3009 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6125.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No