Information card for entry 1567939

Structure parameters

• Formula: C98 H213 Fe2 K3 N6 O24 Si12
• Calculated formula: C98 H215 Fe2 K3 N6 O24 Si12
• Title of publication: Taming the Stilbene Radical Anion
• Authors of publication: Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 16.0976 ± 0.001 Å
• b: 15.8981 ± 0.0008 Å
• c: 26.7651 ± 0.0015 Å
• α: 90°
• β: 93.037 ± 0.002°
• γ: 90°
• Cell volume: 6840.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No