Information card for entry 5000309

Structure parameters

• Formula: C43 H55 Cl5 N4 O20 V4
• Calculated formula: C43 H55 Cl5 N4 O20 V4
• Title of publication: Tetranuclear vanadium(III) carboxylate chemistry, and a new example of a metal butterfly complex exhibiting spin frustration: structure and properties of [V~4~O~2~(O~2~CEt)~7~(bpy)~2~](ClO~4~)
• Authors of publication: Castro, Stephanie L.; Sun, Ziming; Bollinger, John C.; Hendrickson, David N.; Christou, George
• Journal of publication: Journal of the Chemical Society, Chemical Communications
• Year of publication: 1995
• Journal issue: 24
• Pages of publication: 2517 - 2548
• a: 13.302 ± 0.004 Å
• b: 13.265 ± 0.004 Å
• c: 15.905 ± 0.005 Å
• α: 87.51 ± 0.01°
• β: 96.65 ± 0.01°
• γ: 86.66 ± 0.01°
• Cell volume: 2779.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections: 0.1719
• Weighted residual factors for significantly intense reflections: 0.1649
• Goodness-of-fit parameter for all reflections: 1.858
• Goodness-of-fit parameter for significantly intense reflections: 2.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No