Information card for entry 4130098

Structure parameters

• Formula: C23 H44 Ir N P2
• Calculated formula: C23 H44 Ir N P2
• Title of publication: Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.
• Authors of publication: Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6445 - 6454
• a: 11.527 ± 0.002 Å
• b: 11.527 ± 0.002 Å
• c: 9.5824 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 102
• Hermann-Mauguin space group symbol: P 42 n m
• Hall space group symbol: P 4n -2n
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No