Information card for entry 7106050

Structure parameters

• Formula: C110 H91 Ir4 N21
• Calculated formula: C110 H91 Ir4 N21
• Title of publication: A bright tetranuclear iridium(III) complex
• Authors of publication: Etienne Baranoff; Enrico Orselli; Lionel Allouche; Davide Di Censo; Rosario Scopelliti; Michael Gratzel; Md. Khaja Nazeeruddin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2799
• a: 21.007 ± 0.006 Å
• b: 21.431 ± 0.003 Å
• c: 24.366 ± 0.005 Å
• α: 90°
• β: 114.479 ± 0.016°
• γ: 90°
• Cell volume: 9984 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No