Information card for entry 4075398

Structure parameters

• Formula: C16 H27 F5 Ir P
• Calculated formula: C16 H27 F5 Ir P
• SMILES: [Ir]1234([P](C)(C)C)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C)C(F)(F)C(F)(F)F
• Title of publication: Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds
• Authors of publication: Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3474
• a: 8.739 ± 0.004 Å
• b: 28.391 ± 0.012 Å
• c: 8.802 ± 0.004 Å
• α: 90°
• β: 117.028 ± 0.005°
• γ: 90°
• Cell volume: 1945.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No