Information card for entry 1576416

Structure parameters

• Formula: C45 H38 Cl2 F6 N2 O16 Pd2
• Calculated formula: C45 H38 Cl2 F6 N2 O16 Pd2
• Title of publication: Visible Photon Energy Storage by [2+2] Cycloaddition of Pd-Oxazolones
• Authors of publication: Qiu, Qianfeng; Usuba, Junichi; Koay, Wai Lean; Oppenheimer, Vincent Conrad; Wu, Man Wai; Zheng, Shao-Liang; Truong, Vinh Xuan; Han, Grace G. D.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 8.6194 ± 0.0003 Å
• b: 14.7562 ± 0.0005 Å
• c: 19.1239 ± 0.0007 Å
• α: 98.4574 ± 0.0015°
• β: 100.39 ± 0.0016°
• γ: 97.2586 ± 0.0015°
• Cell volume: 2337.06 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No