Information card for entry 7048218

Structure parameters

• Chemical name: {[(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine) (diclofenac-kO:kO')bis(nitrato-kO:kO')erbium(III)zinc(II)] hydrate}
• Formula: C34 H32 Br2 Cl2 Er N5 O13 Zn
• Calculated formula: C34 H30 Br2 Cl2 Er N5 O12 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: 15.2858 ± 0.0006 Å
• b: 14.4617 ± 0.0005 Å
• c: 20.0422 ± 0.0007 Å
• α: 90°
• β: 110.541 ± 0.002°
• γ: 90°
• Cell volume: 4148.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No