Information card for entry 7040689

Structure parameters

• Formula: C149 H107 Cl3 F6 Ir N14 P Zn2
• Calculated formula: C149 H107 Cl3 F6 Ir N14 P Zn2
• 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: 11.427 ± 0.0012 Å
• b: 33.261 ± 0.004 Å
• c: 37.861 ± 0.004 Å
• α: 90°
• β: 91.978 ± 0.002°
• γ: 90°
• Cell volume: 14381 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• 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: 0.1815
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.3451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No