Information card for entry 7042288

Structure parameters

• Formula: C41 H46 Br4 Dy N11 O13 Zn2
• Calculated formula: C40 H40 Br4 Dy N10 O8 Zn2
• SMILES: [Zn]123([O]4[Dy]56789([O]=Cc%10c([O]35)c(cc(Br)c%10)C[N]1(C)CC[N]2(C)Cc1c4c(cc(Br)c1)C=[O]7)[O]=Cc1c2c(cc(Br)c1)C[N]1(C)[Zn]3([N](CC1)(C)Cc1c(c(cc(Br)c1)C=[O]6)[O]93)([O]82)N=N#N)N=N#N
• 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: 13.6069 ± 0.0007 Å
• b: 13.8358 ± 0.0009 Å
• c: 15.9283 ± 0.0007 Å
• α: 99.998 ± 0.005°
• β: 108.143 ± 0.005°
• γ: 106.028 ± 0.005°
• Cell volume: 2625.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No