Information card for entry 7045962

Structure parameters

• Formula: C38 H50 Er2 N4 O24
• Calculated formula: C38 H50 Er2 N4 O24
• Title of publication: Yb³⁺ can be much better than Dy³⁺: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes.
• Authors of publication: Gavrikov, Andrey V.; Efimov, Nikolay N.; Ilyukhin, Andrey B.; Dobrokhotova, Zhanna V.; Novotortsev, Vladimir M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6199 - 6209
• a: 8.186 ± 0.0003 Å
• b: 12.0866 ± 0.0005 Å
• c: 13.1847 ± 0.0005 Å
• α: 69.401 ± 0.001°
• β: 89.646 ± 0.001°
• γ: 74.225 ± 0.001°
• Cell volume: 1169.3 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No