Information card for entry 7715720

Structure parameters

• Chemical name: Compound1
• Formula: C110 H150 Cl12 Dy4 N14 O48 Zn4
• Calculated formula: C104 H128 Dy4 N14 O46 Zn4
• 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: 22.461 ± 0.0007 Å
• b: 11.6306 ± 0.0004 Å
• c: 26.5609 ± 0.0009 Å
• α: 90°
• β: 97.488 ± 0.001°
• γ: 90°
• Cell volume: 6879.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No