Information card for entry 4317722

Structure parameters

• Formula: C42 H80 B2 Fe6 N12 P4 S8 V2
• Calculated formula: C42 H80 B2 Fe6 N12 P4 S8 V2
• Title of publication: Single- and Double-Cubane Clusters in the Multiple Oxidation States [VFe3S4]3+,2+,1+
• Authors of publication: Christina Hauser; Eckhard Bill; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1615 - 1624
• a: 11.3645 ± 0.0006 Å
• b: 25.1144 ± 0.0014 Å
• c: 12.709 ± 0.0007 Å
• α: 90°
• β: 112.238 ± 0.001°
• γ: 90°
• Cell volume: 3357.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No