Information card for entry 4068880

Structure parameters

• Formula: C22 H26 F6 Ir N4 O P
• Calculated formula: C22 H26 F6 Ir N4 O P
• SMILES: [IrH2]12(C#[O])[n]3c(C[N]2(Cc2nc(ccc2)C)Cc2[n]1c(ccc2)C)cccc3C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Activation of Carbon Monoxide by (Me3tpa)Rh and (Me3tpa)Ir
• Authors of publication: Dzik, Wojciech I.; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1631
• a: 10.9728 ± 0.0007 Å
• b: 11.6245 ± 0.001 Å
• c: 11.7703 ± 0.001 Å
• α: 109.29 ± 0.006°
• β: 110.719 ± 0.005°
• γ: 101.645 ± 0.005°
• Cell volume: 1236 ± 0.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections: 1.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No