Information card for entry 1575151

Structure parameters

• Formula: C28 H32 Cu F6 N4 O4 P
• Calculated formula: C28 H32 Cu F6 N4 O4 P
• Title of publication: Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.
• Authors of publication: Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 15004 - 15014
• a: 9.7349 ± 0.0008 Å
• b: 11.1899 ± 0.001 Å
• c: 15.3441 ± 0.0012 Å
• α: 73.793 ± 0.008°
• β: 74.976 ± 0.007°
• γ: 88.82 ± 0.007°
• Cell volume: 1547.8 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.1232
• Weighted residual factors for significantly intense reflections: 0.3634
• Weighted residual factors for all reflections included in the refinement: 0.3925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No