Information card for entry 4328347

Structure parameters

• Formula: C35 H36 F5 Ir N4 O5 S
• Calculated formula: C35 H36 F5 Ir N4 O5 S
• Title of publication: Bright Blue Phosphorescence from Cationic Bis-Cyclometalated Iridium(III) Isocyanide Complexes
• Authors of publication: Nail M. Shavaleev; Filippo Monti; Rubén D. Costa; Rosario Scopelliti; Henk J. Bolink; Enrique Ortí; Gianluca Accorsi; Nicola Armaroli; Etienne Baranoff; Michael Grätzel; Mohammad K. Nazeeruddin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2263 - 2271
• a: 12.184 ± 0.002 Å
• b: 16.143 ± 0.002 Å
• c: 19.756 ± 0.003 Å
• α: 90.603 ± 0.009°
• β: 105.358 ± 0.012°
• γ: 101.288 ± 0.011°
• Cell volume: 3666.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0706
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No