Information card for entry 7106467

Structure parameters

• Formula: C36 H27 F6 Ir N5 P
• Calculated formula: C36 H27 F6 Ir N5 P
• SMILES: [Ir]123([n]4ccccc4c4[n]1n(cc4)c1ccccc1)([n]1ccccc1c1c2cccc1)[n]1ccccc1c1c3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enhanced Stability of Blue-Green Light-Emitting Electrochemical Cells Based on a Cationic Iridium Complex with an Intramolecular Phenyl-Phenyl Stacking Interaction
• Authors of publication: Lei He; Lian Duan; Juan Qiao; Deqiang Zhang; Liduo Wang; Yong Qiu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6467
• a: 9.8745 ± 0.0008 Å
• b: 30.983 ± 0.003 Å
• c: 11.4305 ± 0.0009 Å
• α: 90°
• β: 97.643 ± 0.002°
• γ: 90°
• Cell volume: 3466 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No