Information card for entry 4319026

Structure parameters

• Formula: C28 H32 B2 F8 Fe4
• Calculated formula: C28 H32 B2 F8 Fe4
• Title of publication: Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me)
• Authors of publication: Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6726 - 6730
• a: 18.678 ± 0.002 Å
• b: 17.604 ± 0.002 Å
• c: 17.072 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5613.4 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 423.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 2.23
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No