Information card for entry 7203161

Structure parameters

• Chemical name: tetrakis(9,9-dihexyl-2-(pyridin-2-yl)fluorene-C^2^,N')-bis-(μ- chloro)diiridium, bis(dichloromethane) hydrate
• Formula: C122 H150 Cl6 Ir2 N4 O
• Calculated formula: C122 H148 Cl6 Ir2 N4 O
• Title of publication: Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices
• Authors of publication: Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 1046
• a: 21.932 ± 0.002 Å
• b: 25.059 ± 0.002 Å
• c: 40.88 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22467 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No