Information card for entry 7044313

Structure parameters

• Formula: C48 H94 N2 O21 V6
• Calculated formula: C48 H94 N2 O21 V6
• Title of publication: The Cu(I)-catalysed Huisgen 1,3-dipolar cycloaddition route to (bio-)organic functionalisation of polyoxovanadates
• Authors of publication: Linnenberg, Oliver; Kondinski, Aleksandar; Stöcker, Cornelia; Monakhov, Kirill
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.244 ± 0.002 Å
• b: 22.208 ± 0.003 Å
• c: 15.317 ± 0.002 Å
• α: 90°
• β: 94.834 ± 0.003°
• γ: 90°
• Cell volume: 5844.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No