Information card for entry 7039567

Structure parameters

• Formula: C16 H64 N12 O26 V4 W4
• Calculated formula: C16 H52 N12 O26 V4 W4
• Title of publication: Small, beautiful and magnetically exotic: {V4W2}- and {V4W4}-type polyoxometalates.
• Authors of publication: Rasmussen, Maren; Näther, Christian; van Leusen, Jan; Warzok, Ulrike; Schalley, Christoph A.; Kögerler, Paul; Bensch, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10519 - 10522
• a: 13.1608 ± 0.0007 Å
• b: 12.6983 ± 0.0007 Å
• c: 27.5889 ± 0.0013 Å
• α: 90°
• β: 101.296 ± 0.006°
• γ: 90°
• Cell volume: 4521.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No