Information card for entry 7236447

Structure parameters

• Chemical name: [Iridium(benzoquinoline)2(2,2?-biquinoline)][hexafluorophosphate]
• Formula: C48 H36 F6 Ir N4 O2 P
• Calculated formula: C48 H36 F6 Ir N4 O2 P
• Title of publication: Long term stable deep red light-emitting electrochemical cells based on an emissive, rigid cationic Ir(iii) complex
• Authors of publication: Namanga, Jude E.; Gerlitzki, Niels; Mallick, Bert; Mudring, Anja-Verena
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 3049
• a: 9.6769 ± 0.0007 Å
• b: 28.388 ± 0.003 Å
• c: 15.0283 ± 0.0011 Å
• α: 90°
• β: 94.366 ± 0.009°
• γ: 90°
• Cell volume: 4116.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No