Information card for entry 4304685

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: 6.721 ± 0.0007 Å
• b: 13.3517 ± 0.0013 Å
• c: 14.8909 ± 0.0015 Å
• α: 90°
• β: 90.053 ± 0.005°
• γ: 90°
• Cell volume: 1336.3 ± 0.2 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 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: 0.0189
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No