Information card for entry 7042291

Structure parameters

• Formula: C41 H44 Br4 Dy I3 N4 O12 Zn2
• Calculated formula: C41 H43 Br4 Dy I3 N4 O12 Zn2
• Title of publication: The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.
• Authors of publication: Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4278 - 4286
• a: 14.9193 ± 0.0003 Å
• b: 25.4989 ± 0.0003 Å
• c: 15.6761 ± 0.0003 Å
• α: 90°
• β: 116.881 ± 0.002°
• γ: 90°
• Cell volume: 5319.21 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No