Information card for entry 4337461

Structure parameters

• Formula: C56 H68 B2 F8 Fe2 N12 O5
• Calculated formula: C56 H68 B2 F8 Fe2 N12 O5
• Title of publication: Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.
• Authors of publication: Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 167 - 181
• a: 13.0157 ± 0.0015 Å
• b: 13.827 ± 0.0016 Å
• c: 18.859 ± 0.002 Å
• α: 72.271 ± 0.002°
• β: 80.965 ± 0.002°
• γ: 67.018 ± 0.002°
• Cell volume: 2973.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No