Information card for entry 7109297

Structure parameters

• Formula: C32 H44 B20 Cl3 Ir N2 O2
• Calculated formula: C32 H44 B20 Cl3 Ir N2 O2
• Title of publication: Carborane tuning of photophysical properties of phosphorescent iridium(III) complexes
• Authors of publication: Chao Shi; Huibin Sun; Qibai Jiang; Qiang Zhao; Jingxia Wang; Wei Huang; Hong Yan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4746
• a: 14.4291 ± 0.0015 Å
• b: 15.2895 ± 0.0016 Å
• c: 20.778 ± 0.002 Å
• α: 90°
• β: 103.871 ± 0.002°
• γ: 90°
• Cell volume: 4450.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No