Information card for entry 8106765

Structure parameters

• Formula: C25 H21 Cl4 N3 O5 V
• Calculated formula: C25 H21 Cl4 N3 O5 V
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[V]2([n]13)(OC(=CC(C)=[O]2)C)(=O)OC(=O)c1c(cccc1N)Cl.C(Cl)(Cl)Cl
• Title of publication: Crystal structure of (acetylacetonato-κ2 O,O′)-(2-amino-6-chlorobenzoato-κO)-oxido(1,10-phenanthroline-κ2 N,N′)vanadium(IV) – trichloromethane (1/1)
• Authors of publication: Yin, Ning; Wu, Qiong; Zhang, Heng-Qiang; Zhang, Qi-Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 1045 - 1047
• a: 10.8055 ± 0.0005 Å
• b: 11.5657 ± 0.0006 Å
• c: 12.0494 ± 0.0006 Å
• α: 78.058 ± 0.001°
• β: 80.405 ± 0.002°
• γ: 69.388 ± 0.001°
• Cell volume: 1371.69 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No