Information card for entry 8105675

Structure parameters

• Chemical name: 2-{(E) [3-chloropropyl)imino]}-5-bromo phenol-oxovanadium(IV)
• Formula: C20 H20 Br2 Cl2 N2 O3 V
• Calculated formula: C20 H20 Br2 Cl2 N2 O3 V
• SMILES: Brc1ccc2c(c1)C=[N](CCCCl)[V]1([N](=Cc3c(ccc(Br)c3)O1)CCCCl)(O2)=O
• Title of publication: Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
• Authors of publication: Wei, Wei; Wu, Qiong; Zhang, Heng-Qiang; Liu, Rui; Chen, Hong-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 443 - 444
• a: 11.9615 ± 0.0008 Å
• b: 16.5865 ± 0.0007 Å
• c: 12.911 ± 0.001 Å
• α: 90°
• β: 115.879 ± 0.009°
• γ: 90°
• Cell volume: 2304.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No