Information card for entry 1567938

Structure parameters

• Formula: C40 H77 Fe K N2 O6.5 Si4
• Calculated formula: C40 H77 Fe K N2 O6.5 Si4
• 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: 37.3486 ± 0.0017 Å
• b: 13.2014 ± 0.0004 Å
• c: 27.113 ± 0.002 Å
• α: 90°
• β: 130.575 ± 0.002°
• γ: 90°
• Cell volume: 10153.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No