Information card for entry 4109812

Structure parameters

• Formula: C85 H79 Fe2 S4
• Calculated formula: C85 H79 Fe2 S4
• Title of publication: Synthesis of New [8Fe-7S] Clusters: A Topological Link between the Core Structures of P-Cluster, FeMo-co, and FeFe-co of Nitrogenases
• Authors of publication: Yasuhiro Ohki; Yohei Ikagawa; Kazuyuki Tatsumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10457 - 10465
• a: 12.378 ± 0.002 Å
• b: 22.072 ± 0.004 Å
• c: 13.876 ± 0.002 Å
• α: 90°
• β: 92.644 ± 0.002°
• γ: 90°
• Cell volume: 3787 ± 1.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No