Information card for entry 4109417

Structure parameters

• Formula: C20 H26 B Ir N6 O3
• Calculated formula: C20 H26 B Ir N6 O3
• Title of publication: Transition Metal Migration upon Attempting the Wolff Rearrangement of an Ir(III) Five-Membered Metallacycle
• Authors of publication: Margarita Gómez; Margarita Paneque; Manuel L. Poveda; Eleuterio Alvarez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6092 - 6093
• a: 20.463 ± 0.002 Å
• b: 13.6577 ± 0.0016 Å
• c: 7.9547 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2223.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No