Information card for entry 4102942

Structure parameters

• Formula: C37 H55 Ir N2 P2
• Calculated formula: C37 H55 Ir N2 P2
• SMILES: C1c2c3c(C[P](C(C)(C)C)(C(C)(C)C)[IrH]3(NN=C(c3ccccc3)c3ccccc3)[P]1(C(C)(C)C)C(C)(C)C)ccc2
• 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: 10.7017 ± 0.0004 Å
• b: 16.239 ± 0.0007 Å
• c: 20.6097 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3581.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No