Information card for entry 7031082

Structure parameters

• Formula: C19 H15 N2 O3 V
• Calculated formula: C19 H15 N2 O3 V
• SMILES: [V]12(Oc3c(C=[N]1Cc1[n]2cccc1)cccc3c1ccccc1)(=O)=O
• Title of publication: Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups–structure, characterization and hydrogen peroxide mediated sulfide oxygenation.
• Authors of publication: Plitt, Patrick; Pritzkow, Hans; Kramer, Roland
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 15
• Pages of publication: 2314 - 2320
• a: 6.7529 ± 0.001 Å
• b: 9.6314 ± 0.0013 Å
• c: 24.337 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1582.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No