Information card for entry 1544022

Structure parameters

• Formula: C14 H13 N4 O6 V
• Calculated formula: C14 H13 N4 O6 V
• SMILES: [V]12([N](N=C(O1)c1n(cc(N(=O)=O)c1)C)=Cc1c(O2)cccc1)(OC)=O
• Title of publication: Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies
• Authors of publication: Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 484 - 496
• a: 9.4462 ± 0.0012 Å
• b: 9.9937 ± 0.0014 Å
• c: 10.0415 ± 0.0016 Å
• α: 89.029 ± 0.002°
• β: 70.647 ± 0.001°
• γ: 63.244 ± 0.001°
• Cell volume: 788.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No