Information card for entry 7048220

Structure parameters

• Chemical name: {[bis(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine) bis(2-hydroxysalicylato-kO:kO')bis(nitrato-kO:kO') erbium(III)zinc(II)] di(acetonitrile)}
• Formula: C31 H30 Br2 Er N6 O13 Zn
• Calculated formula: C27 H24 Br2 Er N4 O13 Zn
• Title of publication: Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn₂Ln₂ complexes (Ln = Dy, Er).
• Authors of publication: Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 190 - 201
• a: 20.342 ± 0.0006 Å
• b: 14.7835 ± 0.0004 Å
• c: 28.2615 ± 0.0012 Å
• α: 90°
• β: 106.543 ± 0.004°
• γ: 90°
• Cell volume: 8147.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No