Information card for entry 4085959

Structure parameters

• Formula: C32 H45 Ir O P2
• Calculated formula: C32 H45 Ir O P2
• SMILES: [IrH2]123[P](c4c(C3(c3c([P]1(C(C)C)C(C)C)cccc3)c1c([O]2C)cccc1)cccc4)(C(C)C)C(C)C
• 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: 9.922 ± 0.002 Å
• b: 10.833 ± 0.002 Å
• c: 15.344 ± 0.003 Å
• α: 72.292 ± 0.002°
• β: 85.131 ± 0.003°
• γ: 68.382 ± 0.002°
• Cell volume: 1459.9 ± 0.5 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: 0.014
• Residual factor for significantly intense reflections: 0.0135
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No