Information card for entry 7038516

Structure parameters

• Formula: C45.5 H43 Fe3 O6 Sc
• Calculated formula: C45.5 H43 Fe3 O6 Sc
• Title of publication: Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.
• Authors of publication: Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6405 - 6417
• a: 10.8445 ± 0.0012 Å
• b: 14.24 ± 0.0017 Å
• c: 15.033 ± 0.002 Å
• α: 106.992 ± 0.004°
• β: 106.409 ± 0.004°
• γ: 107.598 ± 0.004°
• Cell volume: 1933.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1374
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No