Information card for entry 4075397

Structure parameters

• Formula: C17 H27 F7 Ir P
• Calculated formula: C17 H27 F7 Ir P
• SMILES: [Ir]1234([P](C)(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C(F)(F)C(F)(F)C(F)(F)F)C
• 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: 8.6376 ± 0.0004 Å
• b: 14.5419 ± 0.0006 Å
• c: 16.7255 ± 0.0007 Å
• α: 90°
• β: 104.303 ± 0.001°
• γ: 90°
• Cell volume: 2035.72 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0333
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No