Information card for entry 4102946

Structure parameters

• Formula: C31 H51 Ir N2 P2
• Calculated formula: C31 H51 Ir N2 P2
• SMILES: [IrH]123([P](Cc4c3c(ccc4)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)=NN(C)c1c2cccc1
• 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: 10.4919 ± 0.0009 Å
• b: 10.692 ± 0.0008 Å
• c: 15.0748 ± 0.0012 Å
• α: 101.466 ± 0.005°
• β: 98.835 ± 0.005°
• γ: 103.297 ± 0.005°
• Cell volume: 1577.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No