Information card for entry 4088699

Structure parameters

• Formula: C24 H53 Ir P2
• Calculated formula: C24 H49 Ir P2
• SMILES: [P]1([Ir]2[P](C[C@@H]3C2[C@@H](CCC3)C1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Iridium Hydride Complexes with Cyclohexyl-Based Pincer Ligands: Fluxionality and Deuterium Exchange
• Authors of publication: Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2600
• a: 8.4709 ± 0.0004 Å
• b: 11.7388 ± 0.0005 Å
• c: 15.6404 ± 0.0007 Å
• α: 103.61 ± 0.004°
• β: 100.537 ± 0.004°
• γ: 110.861 ± 0.004°
• Cell volume: 1350.23 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No