Information card for entry 7111144

Structure parameters

• Formula: C49 H52 B F4 Ir N2 O2 P2
• Calculated formula: C49 H52 B F4 Ir N2 O2 P2
• Title of publication: Reversible α-elimination in the conversion of N‒CH3 to N‒CHIr by double C‒H activation
• Authors of publication: Lee, Dong-Heon; Chen, Junyi; Faller, Jack W.; Crabtree, Robert H.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 213
• a: 14.4246 ± 0.0006 Å
• b: 14.776 ± 0.0006 Å
• c: 22.8912 ± 0.0007 Å
• α: 90°
• β: 107.342 ± 0.002°
• γ: 90°
• Cell volume: 4657.2 ± 0.3 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0342
• Goodness-of-fit parameter for significantly intense reflections: 0.805
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No