Information card for entry 7004456

Structure parameters

• Formula: C24 H42 F4 Ir N O P2
• Calculated formula: C24 H42 F4 Ir N O P2
• SMILES: [Ir]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(C#[O])c1c(F)c(F)nc(F)c1F
• Title of publication: Iridium derivatives of fluorinated aromatics by C‒H activation: isolation of classical and non-classical hydrides
• Authors of publication: Salomon, Marcel Ahijado; Braun, Thomas; Krossing, Ingo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5197 - 5206
• a: 12.474 ± 0.0003 Å
• b: 13.07 ± 0.0002 Å
• c: 17.291 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2819.04 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No