Information card for entry 7045985

Structure parameters

• Formula: C20 H84 Ge4 N20 Ni3 O46 Sb2 V15
• Calculated formula: C20 H80 Ge4 N20 Ni3 O46 Sb2 V15
• Title of publication: Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.
• Authors of publication: Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 6672 - 6674
• a: 12.6027 ± 0.0007 Å
• b: 26.4698 ± 0.0017 Å
• c: 15.1116 ± 0.0009 Å
• α: 90°
• β: 114.801 ± 0.006°
• γ: 90°
• Cell volume: 4576.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No