Information card for entry 4312328

Structure parameters

• Formula: C88.5 H95 Fe4 N2 O S8
• Calculated formula: C84 H62 Fe4 N1.5 O S8
• Title of publication: Investigation of the Reduced High-Potential Iron-Sulfur Protein from Chromatium vinosumand Relevant Model Compounds: A Unified Picture of the Electronic Structure of [Fe4S4]2+ Systems through Magnetic and Optical Studies
• Authors of publication: Latévi M. Lawson Daku; Jacques Pécaut; Alix Lenormand-Foucaut; Béatrice Vieux-Melchior; Peter Iveson; Jeanne Jordanov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6824 - 6850
• a: 40.242 ± 0.002 Å
• b: 19.4218 ± 0.0011 Å
• c: 22.3155 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17441.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2484
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.422
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No