Information card for entry 4001664

Structure parameters

• Formula: C32 H14 F10 Ir N3 O4
• Calculated formula: C32 H14 F10 Ir N3 O4
• SMILES: Fc1c(c(c2c(c1)[Ir]13(OC(=O)c4[n]1cccc4)(c1cc(c(c(c1c1[n]3cccc1)F)C(=O)C(F)(F)F)F)n1c2cccc1)F)C(=O)C(F)(F)F
• Title of publication: Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing
• Authors of publication: Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2330
• a: 20.248 ± 0.003 Å
• b: 12.5782 ± 0.0014 Å
• c: 15.3528 ± 0.001 Å
• α: 90°
• β: 91.222 ± 0.009°
• γ: 90°
• Cell volume: 3909.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No