Information card for entry 7045986

Structure parameters

• Formula: C18 H93 Ge3 N18 Ni3 O54 Sb3 V15
• Calculated formula: C18 H72 Ge3 N18 Ni3 O54 Sb3 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: 14.9473 ± 0.0003 Å
• b: 18.808 ± 0.0003 Å
• c: 16.1556 ± 0.0003 Å
• α: 90°
• β: 112.616 ± 0.001°
• γ: 90°
• Cell volume: 4192.55 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1181
• 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: Yes
• Has Fobs: No