Information card for entry 7208302

Structure parameters

• Formula: B72 H181 Na32 Ni4 O314 V48
• Calculated formula: B72 Na32 Ni4 O314 V48
• Title of publication: New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−
• Authors of publication: Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5604
• a: 19.3555 ± 0.001 Å
• b: 21.7874 ± 0.0011 Å
• c: 16.0415 ± 0.0008 Å
• α: 90°
• β: 92.452 ± 0.001°
• γ: 90°
• Cell volume: 6758.6 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No