Information card for entry 4334752

Structure parameters

• Formula: C22 H36 Ir O P
• Calculated formula: C22 H36 Ir O P
• SMILES: [Ir]1234([P](C=CO1)(C1CCCCC1)C1CCCCC1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors
• Authors of publication: Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5448 - 5456
• a: 10.4122 ± 0.0003 Å
• b: 12.6241 ± 0.0004 Å
• c: 15.3073 ± 0.0005 Å
• α: 90°
• β: 90.907 ± 0.0018°
• γ: 90°
• Cell volume: 2011.81 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No