Information card for entry 4108057

Structure parameters

• Formula: Er H0 Na9 O71 W10
• Calculated formula: Er Na9 O71 W10
• SMILES: O=[W]1234O[W]567(O[W]89(O1)(=O)O[W]1%10(=O)(O6)[O]378[W](O5)(O2)(=O)(O%10)=[O][Er]235([O]=1)([O]=9)([O]=4)[O]=[W]146(=O)[O]789[W]%10(=O)(O1)(O[W]17(=O)(O[W]8(=O)(O4)(=[O]5)O[W]9(=O)(O6)(O%10)O1)=[O]3)=[O]2)=O.[Na+].O.[Na+].O.O.O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Mononuclear Lanthanide Single-Molecule Magnets Based on Polyoxometalates
• Authors of publication: Murad A. AlDamen; Juan M. Clemente-Juan; Eugenio Coronado; Carlos Martí-Gastaldo; Alejandro Gaita-Ariño
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8874 - 8875
• a: 12.744 ± 0.003 Å
• b: 13.071 ± 0.003 Å
• c: 20.47 ± 0.004 Å
• α: 82.89 ± 0.03°
• β: 74.53 ± 0.03°
• γ: 88.8 ± 0.03°
• Cell volume: 3260.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1905
• 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