Information card for entry 7045340

Structure parameters

• Formula: C60 H38 F8 Ir2 N6 O4
• Calculated formula: C60 H38 F8 Ir2 N6 O4
• Title of publication: Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking
• Authors of publication: Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 24.6611 ± 0.0012 Å
• b: 13.3724 ± 0.0006 Å
• c: 15.014 ± 0.0007 Å
• α: 90°
• β: 94.6047 ± 0.0015°
• γ: 90°
• Cell volume: 4935.3 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No