Information card for entry 7004458

Structure parameters

• Formula: C25 H46 F4 Ir N P2
• Calculated formula: C25 H46 F4 Ir N P2
• SMILES: [Ir]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)([CH2]=[CH2]1)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: 9.185 ± 0.0001 Å
• b: 23.46 ± 0.0002 Å
• c: 12.792 ± 0.0001 Å
• α: 90°
• β: 90.437 ± 0.0004°
• γ: 90°
• Cell volume: 2756.34 ± 0.04 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0167
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No