Information card for entry 7043857

Structure parameters

• Formula: C35 H43 Ir N2 P2
• Calculated formula: C35 H38 Ir N2 P2
• SMILES: [Ir]1234([P](c5ccccc5)(c5ccccc5)CCC[P]1(c1ccccc1)c1ccccc1)(N)[CH]1=[CH]2CC[CH]3=[CH]4CC1.N
• 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: 10.3409 ± 0.0004 Å
• b: 16.3633 ± 0.0007 Å
• c: 18.3773 ± 0.0008 Å
• α: 90°
• β: 103.733 ± 0.001°
• γ: 90°
• Cell volume: 3020.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No