Information card for entry 4069880

Structure parameters

• Formula: C44 H64 Cu2 Fe2 Li2 O6
• Calculated formula: C44 H64 Cu2 Fe2 Li2 O6
• Title of publication: Structures of Lithium Ferrocenylenecuprates and Their Oxidative Coupling Reactions
• Authors of publication: Bomparola, Roberta; Davies, Robert P.; Gray, Tracey; White, Andrew J. P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4632
• a: 10.61891 ± 0.00008 Å
• b: 10.61891 ± 0.00008 Å
• c: 38.1686 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4303.94 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No