Information card for entry 1576872

Structure parameters

• Formula: C56 H32 Ce2 Cl10 S16
• Calculated formula: C56 H32 Ce2 Cl10 S16
• Title of publication: Leveraging the Redox Activities of Cerium and Dibenzotetrathiafulvalene to Discover a Photo-Responsive Magnetic Material
• Authors of publication: Gupta, Himanshu; Shapera, Ethan P.; Yu, Xiaojuan; Wang, Xiaoyu; Smith, Patrick; Pandey, Pragati; Gau, Michael; Minasian, Stefan; Zurek, Eva; Autschbach, Jochen; Kikkawa, James M.; Schelter, Eric J.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 13.8618 ± 0.0002 Å
• b: 15.5465 ± 0.0002 Å
• c: 15.6088 ± 0.0002 Å
• α: 90°
• β: 109.663 ± 0.002°
• γ: 90°
• Cell volume: 3167.59 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No