Information card for entry 4330142

Structure parameters

• Common name: K9[V16O38(CN)].13(H2O)
• Chemical name: K9[V16O38(CN)].13(H2O)
• Formula: C K9 N O51 V16
• Calculated formula: C K9 N O51 V16
• Title of publication: [V16O38(CN)]9-: A Soluble Mixed-Valence Redox-Active Building Block with Strong Antiferromagnetic Coupling
• Authors of publication: Tony D. Keene; Deanna M. D'Alessandro; Karl W. Krämer; Jason R. Price; David J. Price; Silvio Decurtins; Cameron J. Kepert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9192 - 9199
• a: 11.3351 ± 0.0009 Å
• b: 20.1302 ± 0.0016 Å
• c: 22.513 ± 0.0016 Å
• α: 90°
• β: 94.978 ± 0.002°
• γ: 90°
• Cell volume: 5117.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No