Information card for entry 4068268

Structure parameters

• Formula: C17 H37 F6 Ir N O P3
• Calculated formula: C17 H37 F6 Ir N O P3
• SMILES: [Ir]12([P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Iridium Olefin Complexes Bearing Dialkylamino/amido PNP Pincer Ligands: Synthesis, Reactivity, and Solution Dynamics†
• Authors of publication: Friedrich, Anja; Ghosh, Rajshekhar; Kolb, Roman; Herdtweck, Eberhardt; Schneider, Sven
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 708
• a: 8.6581 ± 0.0001 Å
• b: 15.6096 ± 0.0002 Å
• c: 18.5711 ± 0.0002 Å
• α: 90°
• β: 94.818 ± 0.001°
• γ: 90°
• Cell volume: 2501.01 ± 0.05 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 7
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No