Information card for entry 4335533

Structure parameters

• Formula: C62 H48 F12 Ir2 N10 P2
• Calculated formula: C62 H48 F12 Ir2 N10 P2
• Title of publication: Mono- and Dinuclear Cationic Iridium(III) Complexes Bearing a 2,5-Dipyridylpyrazine (2,5-dpp) Ligand
• Authors of publication: Loïc Donato; Catherine E. McCusker; Felix N. Castellano; Eli Zysman-Colman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8495 - 8504
• a: 11.2607 ± 0.0002 Å
• b: 14.4336 ± 0.0003 Å
• c: 20.5151 ± 0.0004 Å
• α: 101.33 ± 0.001°
• β: 90.017 ± 0.001°
• γ: 90.029 ± 0.001°
• Cell volume: 3269.39 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No