Information card for entry 7043189

Structure parameters

• Chemical name: [Cp*Ir(NH(CH2)3CH2CH2)(Cl)2]
• Formula: C15 H26 Cl2 Ir N
• Calculated formula: C15 H26 Cl2 Ir N
• Title of publication: Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex
• Authors of publication: Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.981 ± 0.003 Å
• b: 13.452 ± 0.003 Å
• c: 9.685 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1691.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No