Information card for entry 7109866

Structure parameters

• Formula: C64 H58 Dy2 Fe2 N10 O20
• Calculated formula: C64 H58 Dy2 Fe2 N10 O20
• SMILES: C1[O]2[Dy]345678([N](CC[O]4[Fe]49%10([OH]3[Fe]3%112([O]=C(c2cccc(c2)C#N)O6)[OH]4[Dy]246%12([N](CC[O]92)(CC[O]34)CC[OH]6)(OC(c2cc(ccc2)C#N)=[O]%10)(OC(=[O]%11)c2cc(ccc2)C#N)[O]=C(c2cc(ccc2)C#N)O%12)[O]=C(O7)c2cc(ccc2)C#N)(C1)CC[OH]5)[O]=C(O8)c1cc(ccc1)C#N.N#CC.C(#N)C
• Title of publication: Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe2Dy2 coordination clusters
• Authors of publication: Amer Baniodeh; Valeriu Mereacre; Nicola Magnani; Yanhua Lan; Juliusz A. Wolny; Volker Schunemann; Christopher E. Anson; Annie K. Powell
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9666
• a: 9.7 ± 0.002 Å
• b: 12.915 ± 0.003 Å
• c: 14.427 ± 0.003 Å
• α: 87.159 ± 0.017°
• β: 74.068 ± 0.018°
• γ: 73.135 ± 0.017°
• Cell volume: 1662.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No