Information card for entry 7040470

Structure parameters

• Formula: C96 H204 Dy Mo16 N13 O52
• Calculated formula: C80 H180 Dy Mo16 N5 O52
• Title of publication: Single ion magnets based on lanthanoid polyoxomolybdate complexes.
• Authors of publication: Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16653 - 16660
• a: 17.7626 ± 0.0004 Å
• b: 32.9141 ± 0.0008 Å
• c: 47.7196 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27898.8 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.3186
• Weighted residual factors for all reflections included in the refinement: 0.3475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No