Information card for entry 7042290

Structure parameters

• Formula: C43 H52 Br6 Dy N5 O14 Zn2
• Calculated formula: C43 H52 Br6 Dy N5 O14 Zn2
• SMILES: [Zn]123(Br)[O]4[Dy]56789([O]%10[Zn]%11%12(Br)[N](Cc%13c%10c(C=[O]8)cc(Br)c%13)(C)CC[N]%12(C)Cc8c(c(cc(Br)c8)C=[O]6)[O]9%11)[O]=Cc6c([O]35)c(cc(Br)c6)C[N]1(C)CC[N]2(C)Cc1c4c(cc(Br)c1)C=[O]7.N(=O)(=O)[O-].CO.CO.CO
• 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: 14.6274 ± 0.0003 Å
• b: 27.3664 ± 0.0005 Å
• c: 14.7306 ± 0.0004 Å
• α: 90°
• β: 115.17 ± 0.003°
• γ: 90°
• Cell volume: 5336.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No