Information card for entry 7102353

Structure parameters

• Formula: C116 H168 Cl6 N26 O16 V8
• Calculated formula: C116 H168 Cl6 N26 O16 V8
• Title of publication: Large spin, magnetically anisotropic, octametallic vanadium(iii) clusters with strong ferromagnetic coupling.
• Authors of publication: Shaw, Rachel; Tuna, Floriana; Wernsdorfer, Wolfgang; Barra, Anne-Laure; Collison, David; McInnes, Eric J L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5161 - 5163
• a: 14.4394 ± 0.0005 Å
• b: 20.0945 ± 0.0007 Å
• c: 22.9242 ± 0.0008 Å
• α: 90°
• β: 96.395 ± 0.003°
• γ: 90°
• Cell volume: 6610.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0828
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No