Information card for entry 7027609

Structure parameters

• Formula: C30 H48 N3 O6 V
• Calculated formula: C30 H48 N3 O6 V
• Title of publication: Oxidative functionalisation of alkanes: synthesis, molecular structure and catalytic implications of anionic vanadium(V) oxo and peroxo complexes containing bidentate N,O ligands †
• Authors of publication: Süss-Fink, Georg; Stanislas, Sandrine; Shul’pin, Georgiy B.; Nizova, Galina V.; Stoeckli-Evans, Helen; Neels, Antonia; Bobillier, Christiane; Claude, Saturnin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3169
• a: 11.1906 ± 0.0008 Å
• b: 18.1294 ± 0.0016 Å
• c: 16.5682 ± 0.001 Å
• α: 90°
• β: 105.831 ± 0.007°
• γ: 90°
• Cell volume: 3233.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No