Information card for entry 7031081

Structure parameters

• Formula: C17 H19 N2 O4 V
• Calculated formula: C17 H19 N2 O4 V
• SMILES: [V]12(Oc3c(C=[N]1CC[N]2(C)C)cccc3c1c(O)cccc1)(=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: 13.3526 ± 0.0008 Å
• b: 9.5984 ± 0.0006 Å
• c: 26.3471 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3376.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No