Information card for entry 4065809

Structure parameters

• Formula: C26 H48.667 Cl Ir P2
• Calculated formula: C26.04 H48.76 Cl Ir P2
• Title of publication: A Highly Stable Adamantyl-Substituted Pincer-Ligated Iridium Catalyst for Alkane Dehydrogenation
• Authors of publication: Punji, Benudhar; Emge, Thomas J.; Goldman, Alan S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2702
• a: 16.316 ± 0.0007 Å
• b: 16.316 ± 0.0007 Å
• c: 19.1731 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4420.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No