Information card for entry 7038511

Structure parameters

• Formula: C59 H55 Fe3 N2 O6 Tb
• Calculated formula: C59 H55 Fe3 N2 O6 Tb
• 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: 11.9757 ± 0.0007 Å
• b: 13.2552 ± 0.0008 Å
• c: 16.5953 ± 0.001 Å
• α: 81.265 ± 0.002°
• β: 74.033 ± 0.002°
• γ: 89.479 ± 0.002°
• Cell volume: 2501.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No