Information card for entry 7036142

Structure parameters

• Common name: IrppyL1
• Chemical name: Iridium bisphenylpyridine bi-hexyl-5-fluorenyl- 1,10-phenanthroline hexafluorophosphate
• Formula: C59 H56 F6 Ir N4 P
• Calculated formula: C59 H56 F6 Ir N4 P
• Title of publication: A cyclometallated fluorenyl Ir(iii) complex as a potential sensitiser for two-photon excited photodynamic therapy (2PE-PDT).
• Authors of publication: Boreham, Elizabeth M.; Jones, Lucy; Swinburne, Adam N.; Blanchard-Desce, Mireille; Hugues, Vincent; Terryn, Christine; Miomandre, Fabien; Lemercier, Gilles; Natrajan, Louise S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16127 - 16135
• a: 13.5173 ± 0.0009 Å
• b: 20.6494 ± 0.0013 Å
• c: 20.9242 ± 0.0014 Å
• α: 102.854 ± 0.006°
• β: 97.805 ± 0.005°
• γ: 90.954 ± 0.005°
• Cell volume: 5634.7 ± 0.7 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1534
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.2557
• Weighted residual factors for all reflections included in the refinement: 0.2906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No