Information card for entry 4515750

Structure parameters

• Formula: C26 H29 Cl F6 Ir N P Sb
• Calculated formula: C26 H29 Cl F6 Ir N P Sb
• SMILES: [IrH]1234(Cl)([P](c5[n+](C1)cccc5)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
• Authors of publication: Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 10457
• a: 11.9033 ± 0.0009 Å
• b: 8.2433 ± 0.0007 Å
• c: 28.535 ± 0.002 Å
• α: 90°
• β: 99.672 ± 0.003°
• γ: 90°
• Cell volume: 2760.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 8
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No