Information card for entry 4102943

Structure parameters

• Formula: C31 H67 Ir N2 P2
• Calculated formula: C31 H67 Ir N2 P2
• SMILES: C1CC2CC[P](C(C)(C)C)(C(C)(C)C)[IrH]2(NN2CCCCC2)[P]1(C(C)(C)C)C(C)(C)C.C1CCCC1
• 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: 11.8165 ± 0.0003 Å
• b: 11.9552 ± 0.0003 Å
• c: 14.4984 ± 0.0003 Å
• α: 110.418 ± 0.002°
• β: 112.256 ± 0.002°
• γ: 90.657 ± 0.002°
• Cell volume: 1751.97 ± 0.08 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: 0.0238
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No