Information card for entry 7711083

Structure parameters

• Chemical name: TP33
• Formula: C32 H26 Cu F6 N4 O5 P S
• Calculated formula: C32 H26 Cu F6 N4 O5 P S
• Title of publication: Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes
• Authors of publication: Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.8987 ± 0.0011 Å
• b: 24.7403 ± 0.0011 Å
• c: 16.4218 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6459.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 8
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No