Information card for entry 2018222

Structure parameters

• Chemical name: {2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1- ylidene)]diphenolato}oxovanadium(IV)
• Formula: C22 H18 N2 O3 V
• Calculated formula: C22 H18 N2 O3 V
• SMILES: [V]123(Oc4ccccc4C(=[N]2c2ccccc2[N]3=C(C)c2ccccc2O1)C)=O
• Title of publication: A vanadyl Schiff base complex: {2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV)
• Authors of publication: Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m287 - m289
• a: 9.3715 ± 0.0002 Å
• b: 14.2178 ± 0.0002 Å
• c: 13.8932 ± 0.0002 Å
• α: 90°
• β: 102.867 ± 0.002°
• γ: 90°
• Cell volume: 1804.68 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes