Information card for entry 2008189

Structure parameters

• Common name: (N,N'-disalicylideneethylenediamine)(isothiocyanato)oxovanadium(V)
• Formula: C17 H14 N3 O3 S V
• Calculated formula: C17 H14 N3 O3 S V
• SMILES: [V]123(=O)(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)N=C=S
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediamine](isothiocyanato)oxovanadium(V)
• Authors of publication: Tsuchimoto, Masanobu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: IUC9900008
• a: 14.436 ± 0.003 Å
• b: 28.732 ± 0.003 Å
• c: 8.592 ± 0.002 Å
• α: 90°
• β: 106.34 ± 0.02°
• γ: 90°
• Cell volume: 3419.8 ± 1.2 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No