Information card for entry 4119290

Structure parameters

• Formula: C82.88 H127.6 Fe2 N14.95 O2.96 S2
• Calculated formula: C82.868 H127.576 Fe2 N14.956 O2.956 S2
• Title of publication: A Super-Reduced Diferrous [2Fe-2S] Cluster
• Authors of publication: Antonia Albers; Serhiy Demeshko; Kevin Pröpper; Sebastian Dechert; Eckhard Bill; Franc Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1704 - 1707
• a: 19.1325 ± 0.0012 Å
• b: 32.261 ± 0.002 Å
• c: 14.0926 ± 0.001 Å
• α: 90°
• β: 104.271 ± 0.003°
• γ: 90°
• Cell volume: 8430 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes