Information card for entry 1565193

Structure parameters

• Formula: C41 H39 Cl1.25 F12 Fe N11 O2 P2
• Calculated formula: C41 H39 Cl1.25 F12 Fe N11 O2 P2
• Title of publication: Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality
• Authors of publication: Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 23.6142 ± 0.0013 Å
• b: 23.6142 ± 0.0013 Å
• c: 18.337 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10225.3 ± 1.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.2442
• Residual factor for significantly intense reflections: 0.1417
• Weighted residual factors for significantly intense reflections: 0.2967
• Weighted residual factors for all reflections included in the refinement: 0.3565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No