Information card for entry 7019843

Structure parameters

• Formula: C47 H36 Cl F2 Ir N P2
• Calculated formula: C47 H36 Cl F2 Ir N P2
• SMILES: [Ir]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(c3c1cc(F)cc3F)cccc2
• Title of publication: One-pot synthesis of strong solid state emitting mono-cyclometalated iridium(iii) complexes: study of their aggregation induced enhanced phosphorescence.
• Authors of publication: Alam, Parvej; Karanam, Maheswararao; Roy Choudhury, Angshuman; Rahaman Laskar, Inamur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9276 - 9279
• a: 32.2085 ± 0.0004 Å
• b: 12.2682 ± 0.0001 Å
• c: 9.683 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3826.14 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No