Information card for entry 7119141

Structure parameters

• Formula: C21 H29 F6 Ir N O P
• Calculated formula: C21 H29 F6 Ir N O P
• Title of publication: Metallocene to metallocene conversion. Synthesis of an oxazoline-substituted pentamethyliridocenium cation from a ferrocenyloxazoline
• Authors of publication: Ross A. Arthurs; Peter N. Horton; Simon J. Coles; Christopher J. Richards
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7024
• a: 7.0929 ± 0.0002 Å
• b: 15.6774 ± 0.0004 Å
• c: 20.8647 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2320.12 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No