Information card for entry 7711088

Structure parameters

• Chemical name: TP75
• Formula: C79 H81 Cl3 Cu2 F12 N8 O8 P2
• Calculated formula: C79 H81 Cl3 Cu2 F12 N8 O8 P2
• 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: 14.8494 ± 0.0011 Å
• b: 16.009 ± 0.0013 Å
• c: 18.9006 ± 0.0013 Å
• α: 109.75 ± 0.004°
• β: 100.867 ± 0.004°
• γ: 103.413 ± 0.004°
• Cell volume: 3934.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2216
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No