Information card for entry 4109813

Structure parameters

• Formula: C133.5 H149 Fe8 O2 S12 Si4
• Calculated formula: C133.5 H149 Fe8 O2 S12 Si4
• 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: 12.48 ± 0.003 Å
• b: 15.646 ± 0.004 Å
• c: 36.535 ± 0.008 Å
• α: 98.077 ± 0.003°
• β: 89.789 ± 0.002°
• γ: 101.688 ± 0.003°
• Cell volume: 6914 ± 3 ų
• Cell temperature: 113.1 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 significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No