Information card for entry 7111030

Structure parameters

• Common name: [(C5Me5)Ir(P2C2tBu2NtBu)]
• Formula: C24 H42 Ir N P2
• Calculated formula: C24 H42 Ir N P2
• Title of publication: Syntheses of complexes containing the novel 1,2,3-azadiphosphole and 1,2,5-azadiphosphole ring systems: crystal and molecular structure of [Ir(η5-C5Me5)(η4-(ButCPNButPCBut)]
• Authors of publication: Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Nixon, John F.; Wilson, D. James; Schiemann, Udo; Streubel, Rainer
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 1659
• a: 20.067 ± 0.002 Å
• b: 14.271 ± 0.003 Å
• c: 8.775 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2513 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No