Information card for entry 4072886

Structure parameters

• Formula: C62 H74 B2 Fe Li2 O2
• Calculated formula: C62 H74 B2 Fe Li2 O2
• Title of publication: Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li+Cation
• Authors of publication: Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1771
• a: 15.6422 ± 0.0013 Å
• b: 18.8747 ± 0.0014 Å
• c: 20.159 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5951.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.246
• Residual factor for significantly intense reflections: 0.1477
• Weighted residual factors for significantly intense reflections: 0.3479
• Weighted residual factors for all reflections included in the refinement: 0.4106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No