Information card for entry 4084382

Structure parameters

• Formula: C22 H41 As2 Ir O2
• Calculated formula: C22 H39 As2 Ir O2
• SMILES: [Ir]12[As](Oc3cccc(O[As]1(C(C)(C)C)C(C)(C)C)c23)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Characterization, and Dehydrogenation Activity of an Iridium Arsenic Based Pincer Catalyst
• Authors of publication: Brayton, Daniel F.; Beaumont, Paul R.; Fukushima, Erin Y.; Sartain, Hope T.; Morales-Morales, David; Jensen, Craig M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5198
• a: 15.142 ± 0.002 Å
• b: 13.214 ± 0.002 Å
• c: 15.135 ± 0.003 Å
• α: 90°
• β: 119.449 ± 0.002°
• γ: 90°
• Cell volume: 2637 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No