Information card for entry 4070260

Structure parameters

• Formula: C28 H59 Cl Ir N P2
• Calculated formula: C28 H59 Cl Ir N P2
• Title of publication: Facile Double C−H Activation of Tetrahydrofuran by an Iridium PNP Pincer Complex
• Authors of publication: Meiners, Jenni; Friedrich, Anja; Herdtweck, Eberhardt; Schneider, Sven
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6331
• a: 10.5995 ± 0.0004 Å
• b: 12.0821 ± 0.0004 Å
• c: 15.4891 ± 0.0005 Å
• α: 67.976 ± 0.001°
• β: 84.985 ± 0.002°
• γ: 71.147 ± 0.001°
• Cell volume: 1738.91 ± 0.11 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0244
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No