Information card for entry 7106088

Structure parameters

• Formula: C44 H28 F6 Ir N4 O2 P
• Calculated formula: C40 H28 F6 Ir N4 O2 P
• Title of publication: Light-emitting electrochemical cells based on a supramolecularly-caged phenanthroline-based iridium complex
• Authors of publication: Ruben D. Costa; Enrique Orti; Henk J. Bolink; Stefan Graber; Catherine E. Housecroft; Edwin C. Constable
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3207
• a: 19.0044 ± 0.0004 Å
• b: 25.7833 ± 0.0006 Å
• c: 16.0565 ± 0.0003 Å
• α: 90°
• β: 96.26 ± 0.001°
• γ: 90°
• Cell volume: 7820.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No