Information card for entry 4105010

Structure parameters

• Formula: C41 H104 Fe8 N8 S9 Si8
• Calculated formula: C41 H104 Fe8 N8 S9 Si8
• 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: 14.8299 ± 0.0013 Å
• b: 10.5763 ± 0.0008 Å
• c: 24.935 ± 0.002 Å
• α: 90°
• β: 100.616 ± 0.002°
• γ: 90°
• Cell volume: 3844 ± 0.5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No