Information card for entry 4119289

Structure parameters

• Formula: C72 H102 Fe2 N13 O2 S2
• Calculated formula: C72 H102 Fe2 N13 O2 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: 10.2033 ± 0.0009 Å
• b: 12.0862 ± 0.0011 Å
• c: 14.9782 ± 0.0014 Å
• α: 90.727 ± 0.007°
• β: 106.403 ± 0.007°
• γ: 96.001 ± 0.007°
• Cell volume: 1760.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No