Information card for entry 4326029

Structure parameters

• Formula: C64 H39 Cl6 F8 Ir2 N7 O4
• Calculated formula: C64 H39 Cl6 F8 Ir2 N7 O4
• Title of publication: Phosphorescent Binuclear Iridium Complexes Based on Terpyridine-Carboxylate: An Experimental and Theoretical Study
• Authors of publication: Eugen S. Andreiadis; Daniel Imbert; Jacques Pécaut; Adrian Calborean; Ilaria Ciofini; Carlo Adamo; Renaud Demadrille; Marinella Mazzanti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8197 - 8206
• a: 11.905 ± 0.004 Å
• b: 15.34 ± 0.005 Å
• c: 18.726 ± 0.006 Å
• α: 68.398 ± 0.006°
• β: 73.201 ± 0.006°
• γ: 76.991 ± 0.006°
• Cell volume: 3016.7 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0634
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No