Information card for entry 4331876

Structure parameters

• Common name: EBDC-F4- TEA
• Formula: C64 H127 B2 F4 Fe6 Mo2 N23 O3 S8
• Calculated formula: C64 H38 B2 F4 Fe6 Mo2 N23 O3 S8
• Title of publication: Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series
• Authors of publication: Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1997 - 2007
• a: 14.678 ± 0.009 Å
• b: 29.261 ± 0.019 Å
• c: 11.092 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4764 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No