Information card for entry 4078761

Structure parameters

• Formula: C21 H24 Ir N
• Calculated formula: C21 H24 Ir N
• Title of publication: Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides
• Authors of publication: Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5058
• a: 13.3885 ± 0.0011 Å
• b: 7.5832 ± 0.0006 Å
• c: 17.8084 ± 0.0014 Å
• α: 90°
• β: 111.513 ± 0.001°
• γ: 90°
• Cell volume: 1682.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No