Information card for entry 4124238

Structure parameters

• Formula: C22 H39 Ir P2
• Calculated formula: C22 H39 Ir P2
• Title of publication: Dehydrogenation of n-Alkanes by Solid-Phase Molecular Pincer-Iridium Catalysts. High Yields of α-Olefin Product.
• Authors of publication: Kumar, Akshai; Zhou, Tian; Emge, Thomas J.; Mironov, Oleg; Saxton, Robert J.; Krogh-Jespersen, Karsten; Goldman, Alan S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 31
• Pages of publication: 9894 - 9911
• a: 11.3216 ± 0.0006 Å
• b: 13.9782 ± 0.0007 Å
• c: 28.6736 ± 0.0015 Å
• α: 90°
• β: 96.2934 ± 0.0011°
• γ: 90°
• Cell volume: 4510.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No