Information card for entry 4304689

Structure parameters

• Common name: Ir(CO)2(N(p-tol)C(CH3)CHC(CH3)O)
• 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: 9.5801 ± 0.0011 Å
• b: 9.6759 ± 0.0011 Å
• c: 15.6835 ± 0.0018 Å
• α: 87.985 ± 0.002°
• β: 83.837 ± 0.002°
• γ: 88.304 ± 0.002°
• Cell volume: 1444 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No