Information card for entry 4304686

Structure parameters

• Common name: Ir(CO)~2~(OC(CH~3~)CHC(CH~3~)(p-tol))
• Formula: C14 H14 Ir N O3
• Calculated formula: C14 H14 Ir N O3
• Title of publication: Interplay of Supramolecular Organization, Metallophilic Interactions, Phase Changes, and Luminescence in Four Polymorphs of IrI(CO)2(OC(CH3)CHC(CH3)N(p-tol))
• Authors of publication: Emily M. Gussenhoven; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4570 - 4578
• a: 6.7754 ± 0.0006 Å
• b: 13.3996 ± 0.0012 Å
• c: 14.9246 ± 0.0013 Å
• α: 90°
• β: 90.098 ± 0.001°
• γ: 90°
• Cell volume: 1355 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No