Information card for entry 4107975

Structure parameters

• Chemical name: catena(tetraphenyliron(ii)-bis(diethylether)lithium-1,4-dioxane-lithium)
• Formula: C36 H48 Fe Li2 O4
• Calculated formula: C36 H48 Fe Li2 O4
• Title of publication: Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions
• Authors of publication: Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8773 - 8787
• a: 9.7659 ± 0.0003 Å
• b: 9.9967 ± 0.0002 Å
• c: 18.5066 ± 0.0005 Å
• α: 104.658 ± 0.002°
• β: 94.97 ± 0.001°
• γ: 98.647 ± 0.001°
• Cell volume: 1713.32 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No