Information card for entry 4116109

Structure parameters

• Formula: C30 H42 Ir2 O12
• Calculated formula: C76 H104 Ir4 O24
• Title of publication: Anti-Markovnikov Olefin Arylation Catalyzed by an Iridium Complex
• Authors of publication: Takaya Matsumoto; Douglas J. Taube; Roy A. Periana; Henry Taube; Hajime Yoshida
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 7414 - 7415
• a: 8.394 ± 0.001 Å
• b: 14.177 ± 0.002 Å
• c: 8.089 ± 0.002 Å
• α: 93.2 ± 0.02°
• β: 96.77 ± 0.02°
• γ: 98.74 ± 0.01°
• Cell volume: 942.1 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.741
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No