Information card for entry 4113723

Structure parameters

• Formula: Cs2 H12 Na2 O25 V2 W4
• Calculated formula: Cs2 Na2 O25 V2 W4
• SMILES: O=[V]123([O]4567[V]89%10(=O)O1)O[W]16(=O)(O9)O[W]65(O2)(=O)O[W]4(=O)(O8)(O1)O[W]7(O%10)(O3)(=O)O6.[Cs+].[Cs+].[Na+].[Na+].O.O.O.O.O.O
• Title of publication: 51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids
• Authors of publication: Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5928 - 5938
• a: 8.546 ± 0.001 Å
• b: 8.55 ± 0.001 Å
• c: 11.194 ± 0.001 Å
• α: 67.59 ± 0.01°
• β: 67.63 ± 0.01°
• γ: 59.99 ± 0.01°
• Cell volume: 636.09 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No