Information card for entry 7013088

Structure parameters

• Common name: 1,1ï-bis(4,6-dimethyl-1,3-dioxane-2-yl)-ferrocene
• Chemical name: 1,1ï-bis(4,6-dimethyl-1,3-dioxane-2-yl)-ferrocene
• Formula: C22 H30 Fe O4
• Calculated formula: C22.004 H30 Fe O4
• Title of publication: Synthesis, crystal structures, and electrospray ionisation mass spectrometry investigations of ether- and thioether-substituted ferrocenes
• Authors of publication: Hartinger, Christian G.; Nazarov, Alexey A.; Chevchenko, Vladimir; Arion, Vladimir B.; Galanski, Markus; Keppler, Bernhard K.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3098
• a: 10.284 ± 0.0004 Å
• b: 10.9921 ± 0.0003 Å
• c: 17.9147 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025.13 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No