Information card for entry 4317720

Structure parameters

• Formula: C13 H22 B Cl3 Fe3 N7 S4 V
• Calculated formula: C13 H22 B Cl3 Fe3 N7 S4 V
• 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: 9.2799 ± 0.0012 Å
• b: 27.548 ± 0.003 Å
• c: 11.5854 ± 0.0014 Å
• α: 90°
• β: 112.978 ± 0.002°
• γ: 90°
• Cell volume: 2726.7 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No