Information card for entry 7715719

Structure parameters

• Chemical name: Compound3
• Formula: C102 H156 Co2 Dy2 N12 O40
• Calculated formula: C102 H150 Co2 Dy2 N12 O40
• Title of publication: From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study
• Authors of publication: Zabala-Lekuona, Andoni; Lopez de Pariza, Xabier; Díaz-Ortega, Ismael Francisco; Cepeda, Javier; Nojiri, Hiroyuki; Gritsan, Nina P.; Dmitriev, A. A.; López-Ortega, Alberto; Rodríguez Diéguez, Antonio; Seco, José Manuel; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 20.934 ± 0.002 Å
• b: 22.821 ± 0.002 Å
• c: 12.2957 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5874.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No