Information card for entry 4301917

Structure parameters

• Formula: Er K8 O80 Si2 W22
• Calculated formula: Er0.8 K10.376 O68 Si1.6 W17.6
• Title of publication: Mononuclear Lanthanide Single Molecule Magnets Based on the Polyoxometalates [Ln(W5O18)2]9- and [Ln(β2-SiW11O39)2]13- (LnIII= Tb, Dy, Ho, Er, Tm, and Yb)
• Authors of publication: Murad A. AlDamen; Salvador Cardona-Serra; Juan M. Clemente-Juan; Eugenio Coronado; Alejandro Gaita-Ariño; Carlos Martí-Gastaldo; Fernando Luis; Oscar Montero
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3467 - 3479
• a: 20.208 ± 0.0004 Å
• b: 20.535 ± 0.0002 Å
• c: 27.294 ± 0.0005 Å
• α: 90°
• β: 113.805 ± 0.0007°
• γ: 90°
• Cell volume: 10362.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No