Information card for entry 4108230

Structure parameters

• Formula: C52 H76 Li4 O7 V2
• Calculated formula: C52 H76 Li4 O7 V2
• Title of publication: Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study
• Authors of publication: Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11376 - 11393
• a: 10.1225 ± 0.0007 Å
• b: 12.487 ± 0.0008 Å
• c: 19.2872 ± 0.0012 Å
• α: 93.159 ± 0.004°
• β: 90.694 ± 0.004°
• γ: 93.629 ± 0.004°
• Cell volume: 2429 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No