Information card for entry 4105015

Structure parameters

• Formula: C70 H162 Fe8 N6 O3 S9 Si10
• Calculated formula: C70 H122 Fe8 N6 O3 S9 Si10
• 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: 17.948 ± 0.005 Å
• b: 21.637 ± 0.005 Å
• c: 27.944 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10852 ± 5 ų
• Cell temperature: 143.1 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No