Information card for entry 4084733

Structure parameters

• Formula: C41.25 H61.5 B Cl0.5 F4 N4 O Os P2
• Calculated formula: C41.25 H61.5 B Cl0.5 F4 N4 O Os P2
• Title of publication: CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)
• Authors of publication: Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5582
• a: 9.7134 ± 0.0013 Å
• b: 11.085 ± 0.0015 Å
• c: 21.093 ± 0.003 Å
• α: 82.108 ± 0.002°
• β: 84.676 ± 0.002°
• γ: 76.085 ± 0.002°
• Cell volume: 2179.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No