Information card for entry 7063914

Structure parameters

• Formula: C33 H58 B2 Cu2 F8 N8 O5
• Calculated formula: C33 H58 B2 Cu2 F8 N8 O5
• Title of publication: Boosting the photothermal conversion performance of a dumbbell-shaped molecule with coordinated methanol
• Authors of publication: Liu, Yu-Di; Jiang, Wenya; Wei, Jianyu; Wu, Yuan; Shang, Jiaqi; Wang, Yimin; Wang, ShuaiQi; Liu, Kuan-Guan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 14659 - 14667
• a: 17.7898 ± 0.0007 Å
• b: 16.0761 ± 0.0008 Å
• c: 14.7473 ± 0.0006 Å
• α: 90°
• β: 100.865 ± 0.001°
• γ: 90°
• Cell volume: 4142 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No