Information card for entry 4074545

Structure parameters

• Formula: C25 H37 Ir N P
• Calculated formula: C25 H37 Ir N P
• SMILES: [Ir]1234([P](C5=C(N(C4)C)Cc4c5cccc4)(C(C)C)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Catalytic Alkene Hydroboration Mediated by Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene
• Authors of publication: Cipot, Judy; Vogels, Christopher M.; McDonald, Robert; Westcott, Stephen A.; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5965
• a: 11.0069 ± 0.0008 Å
• b: 9.2904 ± 0.0007 Å
• c: 21.8926 ± 0.0017 Å
• α: 90°
• β: 97.8284 ± 0.0011°
• γ: 90°
• Cell volume: 2217.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No