Information card for entry 7716350

Structure parameters

• Formula: C84 H99 Dy2 N22 O13
• Calculated formula: C84 H98 Dy2 N22 O13
• Title of publication: Lanthanide(III) SMMs with cationic and anionic complex fragments formed by a Schiff base: structure, luminescence, magnetic properties and <i>ab initio</i> calculations.
• Authors of publication: Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Baluda, Yuriy; Babeshkin, Konstantin; Efimov, Nikolay; Kiskin, Mikhail; Linert, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 11531 - 11542
• a: 17.539 ± 0.002 Å
• b: 10.4381 ± 0.001 Å
• c: 24.728 ± 0.002 Å
• α: 90°
• β: 106.211 ± 0.004°
• γ: 90°
• Cell volume: 4347.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No