Information card for entry 7043858

Structure parameters

• Formula: C36 H39 Ir P2
• Calculated formula: C36 H39 Ir P2
• SMILES: [IrH]1234([P](c5ccccc5)(c5ccccc5)CCCC[P]1(c1ccccc1)c1ccccc1)C1[CH]2=[CH]3C=CC4CC1
• Title of publication: Reactivity of Parent Amido Complexes of Iridium with Olefins: C-NH2 Bond Formation versus C-H Activation
• Authors of publication: Casado, Miguel Ángel; Mena, Inmaculada; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.531 ± 0.001 Å
• b: 18.3871 ± 0.0012 Å
• c: 20.0878 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6105.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No