Information card for entry 7236411

Structure parameters

• Formula: C26.5 H21 Cl Cu F6 N4 O2 P
• Calculated formula: C26 H20 Cu F6 N4 O2 P
• 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: 29.0226 ± 0.0018 Å
• b: 14.9554 ± 0.001 Å
• c: 12.9437 ± 0.0009 Å
• α: 90°
• β: 90.929 ± 0.004°
• γ: 90°
• Cell volume: 5617.4 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for all reflections: 0.2359
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No