Information card for entry 4315163

Structure parameters

• Formula: Cr3 Cs10 H53 O100 Si2 W20
• Calculated formula: Cr3 Cs9.3 O87.5 Si2 W20
• Title of publication: Structural, Magnetic, EPR, and Electrochemical Characterizations of a Spin-Frustrated Trinuclear CrIII Polyoxometalate and Study of Its Reactivity with Lanthanum Cations
• Authors of publication: Jean-Daniel Compain; Pierre Mialane; Anne Dolbecq; Israël Martyr Mbomekallé; Jérôme Marrot; Francis Sécheresse; Carole Duboc; Eric Rivière
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2851 - 2858
• a: 12.523 ± 0.003 Å
• b: 19.263 ± 0.004 Å
• c: 19.756 ± 0.005 Å
• α: 98.031 ± 0.006°
• β: 98.362 ± 0.006°
• γ: 106.566 ± 0.007°
• Cell volume: 4436.1 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No