Information card for entry 1543135

Structure parameters

• Chemical name: IrbisPyr
• Formula: C77.25 H54.5 Cl2.5 F6 Ir N4 P
• Calculated formula: C77.25 H54.5 Cl2.5 F6 Ir N4 P
• Title of publication: High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling.
• Authors of publication: Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne
• Journal of publication: The Analyst
• Year of publication: 2016
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 3090 - 3097
• a: 13.1487 ± 0.0009 Å
• b: 23.0231 ± 0.0016 Å
• c: 23.3516 ± 0.0016 Å
• α: 67.2098 ± 0.0019°
• β: 75.538 ± 0.002°
• γ: 78.319 ± 0.002°
• Cell volume: 6266.3 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0807
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No