Information card for entry 7236410

Structure parameters

• Formula: C26 H20 Cu F6 N4 P S2
• Calculated formula: C26 H20 Cu F6 N4 P S2
• Title of publication: Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization
• Authors of publication: Malzner, Frederik J.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.; Willgert, Markus
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 4671
• a: 8.1188 ± 0.0003 Å
• b: 13.891 ± 0.0005 Å
• c: 23.9522 ± 0.0009 Å
• α: 90°
• β: 92.0462 ± 0.0017°
• γ: 90°
• Cell volume: 2699.56 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections: 0.2243
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9825
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No