Information card for entry 7233733

Structure parameters

• Formula: C41 H29 F4 Ir N4 O2
• Calculated formula: C41 H29 F4 Ir N4 O2
• SMILES: [Ir]123([N]4[C@@H](COC=4C=C4N1[C@@H](CO4)c1ccccc1)c1ccccc1)([n]1ccccc1c1c2cc(cc1F)F)[n]1ccccc1c1c3cc(cc1F)F
• Title of publication: Blue and highly emitting [Ir(IV)] complexes by an efficient photoreaction of yellow luminescent [Ir(III)] complexes
• Authors of publication: Enrico Marchi; Mirko Locritani; Massimo Baroncini; Giacomo Bergamini; Riccardo Sinisi; Magda Monari; Chiara Botta; Wojciech Mroz; Marco Bandini; Paola Ceroni; Vincenzo Balzani
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 4461 - 4467
• a: 13.338 ± 0.011 Å
• b: 9.59 ± 0.008 Å
• c: 13.46 ± 0.011 Å
• α: 90°
• β: 95.853 ± 0.009°
• γ: 90°
• Cell volume: 1713 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No