Information card for entry 4105020

Structure parameters

• Formula: C72 H60 Fe4 P2 S8
• Calculated formula: C72 H60 Fe4 P2 S8
• Title of publication: Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster
• Authors of publication: Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13168 - 13178
• a: 24.951 ± 0.003 Å
• b: 37.46 ± 0.005 Å
• c: 10.6579 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9962 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No