Information card for entry 4339825

Structure parameters

• Formula: As2 Mn O86.5 Rb8 W20
• Calculated formula: As2 Mn0.99 O86.49 Rb8.01 W19.98
• Title of publication: The highest D value for a Mn(II) ion: investigation of a manganese(II) polyoxometalate complex by high-field electron paramagnetic resonance.
• Authors of publication: Pichon, Céline; Mialane, Pierre; Rivière, Eric; Blain, Guillaume; Dolbecq, Anne; Marrot, Jérôme; Sécheresse, Francis; Duboc, Carole
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7710 - 7712
• a: 20.0238 ± 0.0001 Å
• b: 20.0238 ± 0.0001 Å
• c: 32.8668 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11412.5 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No