Information card for entry 4085957

Structure parameters

• Formula: C43 H60 Ir O P2
• Calculated formula: C43 H60 Ir O P2
• Title of publication: Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether
• Authors of publication: Babbini, Dominic C.; Iluc, Vlad M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3141
• a: 10.3914 ± 0.0009 Å
• b: 10.5136 ± 0.0009 Å
• c: 18.8352 ± 0.0015 Å
• α: 93.422 ± 0.001°
• β: 91.778 ± 0.001°
• γ: 114.515 ± 0.001°
• Cell volume: 1865.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0132
• Residual factor for significantly intense reflections: 0.0129
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No