Information card for entry 1575150

Structure parameters

• Formula: C7.5 H8 Cu0.25 F1.5 N1.25 O2 P0 S0.5
• Calculated formula: C7.5 H8 Cu0.25 F1.5 N1.25 O2 S0.5
• 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: 8.071 ± 0.002 Å
• b: 16.12 ± 0.004 Å
• c: 26.964 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3508.1 ± 1.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No