Information card for entry 2230014

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2- (dimethylamino)ethylimino]methyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)
• Formula: C16 H20 Br Cl N2 O4 V
• Calculated formula: C16 H20 Br Cl N2 O4 V
• SMILES: [V]123([N](=Cc4c(O2)c(Br)cc(Cl)c4)CC[N]1(C)C)(OC(=CC(=[O]3)C)C)=O
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)
• Authors of publication: Wang, Fu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m650
• a: 20.351 ± 0.002 Å
• b: 12.749 ± 0.001 Å
• c: 7.41 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes