Information card for entry 4108982

Structure parameters

• Common name: O[Ir[(C6H3Me2)]3]2
• Chemical name: Oxobis(tris(dimethylphenyl)iridium(IV)) deuterodichloromethane solvate
• Formula: C49 H54 Cl2 D2 Ir2 O
• Calculated formula: C49.0002 H56.0004 Cl2 Ir2 O
• Title of publication: Ultrafast and Ultraslow Oxygen Atom Transfer Reactions between Late Metal Centers
• Authors of publication: Kevin C. Fortner; David S. Laitar; John Muldoon; Lihung Pu; Sonja B. Braun-Sand; Olaf Wiest; Seth N. Brown
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 588 - 600
• a: 16.2538 ± 0.0003 Å
• b: 16.2538 ± 0.0003 Å
• c: 16.2538 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4294.03 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for all reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No