Information card for entry 7040688

Structure parameters

• Formula: C107 H85 F6 Ir N10 P Zn
• Calculated formula: C107 H85 F6 Ir N10 P Zn
• Title of publication: Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.
• Authors of publication: Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17195 - 17205
• a: 10.986 ± 0.006 Å
• b: 20.26 ± 0.012 Å
• c: 22.532 ± 0.012 Å
• α: 90.852 ± 0.018°
• β: 95.52 ± 0.018°
• γ: 90.267 ± 0.012°
• Cell volume: 4991 ± 5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.3228
• Residual factor for significantly intense reflections: 0.1904
• Weighted residual factors for significantly intense reflections: 0.4353
• Weighted residual factors for all reflections included in the refinement: 0.5484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No