Information card for entry 4307013

Structure parameters

• Common name: Ir-complex
• Chemical name: Ir-complex
• Formula: C32 H21 F4 Ir N4
• Calculated formula: C32 H21 F4 Ir N4
• SMILES: [Ir]12(C#N)(C#[N]c3c(cccc3C)C)([n]3ccccc3c3c(cc(cc13)F)F)[n]1ccccc1c1c(cc(cc21)F)F
• Title of publication: Blue Phosphorescence from Mixed Cyano-Isocyanide Cyclometalated Iridium(III) Complexes
• Authors of publication: Kenneth Dedeian; Jianmin Shi; Eric Forsythe; David C. Morton; Peter Y. Zavalij
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1603 - 1611
• a: 8.2962 ± 0.0009 Å
• b: 10.279 ± 0.0012 Å
• c: 16.3298 ± 0.0019 Å
• α: 76.422 ± 0.002°
• β: 83.913 ± 0.002°
• γ: 80.958 ± 0.002°
• Cell volume: 1333.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No