Information card for entry 4328690

Structure parameters

• Formula: C33 H27 Cl F6 Ir N3 O
• Calculated formula: C33 H27 Cl F6 Ir N3 O
• Title of publication: Luminescent Iridium(III) Complexes with N^C^N-Coordinated Terdentate Ligands: Dual Tuning of the Emission Energy and Application to Organic Light-Emitting Devices
• Authors of publication: Pierpaolo Brulatti; Richard J. Gildea; Judith A. K. Howard; Valeria Fattori; Massimo Cocchi; J. A. Gareth Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3813 - 3826
• a: 8.86 ± 0.002 Å
• b: 12.017 ± 0.003 Å
• c: 14.947 ± 0.004 Å
• α: 85.021 ± 0.004°
• β: 89.893 ± 0.004°
• γ: 75.995 ± 0.004°
• Cell volume: 1538 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037744
• Residual factor for significantly intense reflections: 0.028222
• Weighted residual factors for all reflections included in the refinement: 0.063785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No