Information card for entry 2220875

Structure parameters

• Chemical name: {2-[1-(2-Amino-2-methylpropylimino)ethyl]phenolato- κ^3^<i>N</i>,<i>N'</i>,<i>O</i>}dioxidovanadium(V)
• Formula: C12 H17 N2 O3 V
• Calculated formula: C12 H17 N2 O3 V
• SMILES: c12c(cccc1)C(=[N]1CC([NH2][V]1(O2)(=O)=O)(C)C)C
• Title of publication: {2-[1-(2-Amino-2-methylpropylimino)ethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}dioxidovanadium(V)
• Authors of publication: Romanowski, Grzegorz; Wera, Michał; Sikorski, Artur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m190
• a: 11.1198 ± 0.0006 Å
• b: 15.7408 ± 0.0008 Å
• c: 7.6448 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1338.1 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes