Information card for entry 7114569

Structure parameters

• Formula: C64 H60 Cl4 F4 Ir2 N6 O2
• Calculated formula: C64 H60 Cl4 F4 Ir2 N6 O2
• Title of publication: Ditopic bis-terdentate cyclometallating ligands and their highly luminescent dinuclear iridium(III) complexes
• Authors of publication: Pierre-Henri Lanoe; Chi Ming Tong; Ross W. Harrington; Michael R. Probert; William Clegg; J. A. Gareth Williams; Valery N. Kozhevnikov
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6831
• a: 20.851 ± 0.004 Å
• b: 18.486 ± 0.003 Å
• c: 17.083 ± 0.003 Å
• α: 90°
• β: 109.222 ± 0.002°
• γ: 90°
• Cell volume: 6217.6 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No