Information card for entry 8107178

Structure parameters

• Formula: C18 H16 Cl4 N2 O3 V
• Calculated formula: C18 H16 Cl4 N2 O3 V
• SMILES: c12ccc(cc1C=[N](CCCl)[V]1([N](=Cc3c(ccc(c3)Cl)O1)CCCl)(O2)=O)Cl
• Title of publication: The crystal structure of bis(4-chloro-2-(((2-chloroethyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C18H16Cl4N2O3V
• Authors of publication: Wei, Wei; Zhang, Ya-Zhai; Zhang, Heng-Qiang; Zhang, Qi-Ying; Xuan, Zhao-Kun; Chen, Hong-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 651 - 653
• a: 7.8555 ± 0.0003 Å
• b: 21.6645 ± 0.0007 Å
• c: 23.7584 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4043.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No