Information card for entry 7027608

Structure parameters

• Formula: C26 H42 N5 O6 V
• Calculated formula: C26 H42 N5 O6 V
• SMILES: [V]12(=O)(=O)(OC(=O)c3[n]1ccnc3)OC(=O)c1[n]2ccnc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 13.6607 ± 0.0008 Å
• b: 17.9727 ± 0.0016 Å
• c: 23.6191 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5799 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No