Information card for entry 7038514

Structure parameters

• Formula: C59 H55 Fe3 N2 O6 Y
• Calculated formula: C59 H55 Fe3 N2 O6 Y
• 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: 11.9776 ± 0.0004 Å
• b: 13.32 ± 0.0005 Å
• c: 16.6051 ± 0.0006 Å
• α: 80.892 ± 0.001°
• β: 73.742 ± 0.001°
• γ: 89.608 ± 0.001°
• Cell volume: 2509.24 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1199
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No