Information card for entry 1575152

Structure parameters

• Formula: C28 H32 B Cu F4 N4 O4
• Calculated formula: C28 H32 B Cu F4 N4 O4
• 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: 14.6532 ± 0.0004 Å
• b: 11.4428 ± 0.0003 Å
• c: 16.8771 ± 0.0005 Å
• α: 90°
• β: 95.086 ± 0.003°
• γ: 90°
• Cell volume: 2818.7 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0551
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No