Information card for entry 4087127

Structure parameters

• Formula: C22 H46 Cl Ir O2 P2
• Calculated formula: C22 H45 Cl Ir O2 P2
• Title of publication: Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions
• Authors of publication: Polukeev, Alexey V.; Wendt, Ola F.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 639
• a: 8.4879 ± 0.0006 Å
• b: 12.2912 ± 0.0006 Å
• c: 13.6594 ± 0.0008 Å
• α: 99.397 ± 0.005°
• β: 96.601 ± 0.005°
• γ: 105.6 ± 0.005°
• Cell volume: 1335.07 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0673
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No