Information card for entry 7044314

Structure parameters

• Formula: C56 H108 N8 O25 V6
• Calculated formula: C56 H108 N8 O25 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: 11.4733 ± 0.0017 Å
• b: 11.9543 ± 0.0017 Å
• c: 14.603 ± 0.002 Å
• α: 73.992 ± 0.002°
• β: 71.464 ± 0.002°
• γ: 78.819 ± 0.003°
• Cell volume: 1812.9 ± 0.4 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: 0.0819
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No