Information card for entry 4350697

Structure parameters

• Formula: C26 H35 F6 Ir N4 P2
• Calculated formula: C26 H35 F6 Ir N4 P2
• Title of publication: On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.
• Authors of publication: Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 12767 - 12777
• a: 9.5594 ± 0.0003 Å
• b: 12.1179 ± 0.0004 Å
• c: 12.6163 ± 0.0004 Å
• α: 105.252 ± 0.002°
• β: 94.272 ± 0.001°
• γ: 95.896 ± 0.001°
• Cell volume: 1394.67 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No