Information card for entry 4075401

Structure parameters

• Common name: rph356
• Chemical name: rph356
• Formula: C16 H24 F8 Ir P
• Calculated formula: C16 H24 F8 Ir P
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]2345(C(C(F)(F)F)(C(F)(F)F)F)(F)[P](C)(C)C)C)C)C)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: 8.627 ± 0.008 Å
• b: 16.639 ± 0.016 Å
• c: 13.636 ± 0.013 Å
• α: 90°
• β: 104.583 ± 0.012°
• γ: 90°
• Cell volume: 1894 ± 3 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: 0.0354
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No