Information card for entry 4068270

Structure parameters

• Formula: C17 H36 Ir N O P2
• Calculated formula: C17 H36 Ir N O P2
• SMILES: [Ir]12([P](CCN2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O]
• 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: 7.6119 ± 0.0004 Å
• b: 13.5411 ± 0.0007 Å
• c: 21.8518 ± 0.0012 Å
• α: 78.202 ± 0.004°
• β: 80.638 ± 0.004°
• γ: 73.614 ± 0.004°
• Cell volume: 2101.9 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No