Information card for entry 4112224

Structure parameters

• Formula: C23 H41 Cl Ir O3 P2
• Calculated formula: C23 H41 Cl Ir O3 P2
• Title of publication: Iridium Bis(phosphinite)p-XPCP Pincer Complexes: Highly Active Catalysts for the Transfer Dehydrogenation of Alkanes
• Authors of publication: Inigo Göttker-Schnetmann; Peter White; Maurice Brookhart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1804 - 1811
• a: 34.8215 ± 0.0007 Å
• b: 10.4972 ± 0.0002 Å
• c: 14.3434 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5242.92 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No