Information card for entry 4315164

Structure parameters

• Formula: Cr3 Cs4 H77 La2 O112 Si2 W20
• Calculated formula: Cr3 Cs4 La2 O103 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: 12.7643 ± 0.0006 Å
• b: 19.2319 ± 0.0009 Å
• c: 21.1546 ± 0.001 Å
• α: 78.049 ± 0.001°
• β: 89.295 ± 0.001°
• γ: 71.401 ± 0.001°
• Cell volume: 4807.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No