Information card for entry 4063698

Structure parameters

• Common name: [(cod)Ir(Cl)(u-CF3PCPH)]x
• Formula: C20 H20 Cl F12 Ir P2
• Calculated formula: C20 H20 Cl F12 Ir P2
• Title of publication: Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties
• Authors of publication: Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 689
• a: 10.2335 ± 0.0002 Å
• b: 17.6756 ± 0.0003 Å
• c: 13.3597 ± 0.0002 Å
• α: 90°
• β: 103.876 ± 0.001°
• γ: 90°
• Cell volume: 2346.02 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No