Information card for entry 2011749

Structure parameters

• Chemical name: [N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)
• Formula: C13 H9 Cl N3 O3 V
• Calculated formula: C13 H9 Cl N3 O3 V
• SMILES: [V]12(OC(=N[N]2=Cc2[n]1cccc2)c1ccc(Cl)cc1)(=O)=O
• Title of publication: [<i>N</i>-(4-Chlorobenzoyl)-<i>N</i>'-(picolinylidene)hydrazinato]dioxovanadium(V)
• Authors of publication: Pal, Satyanarayan; Pal, Samudranil
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 141 - 142
• a: 7.1139 ± 0.0009 Å
• b: 39.501 ± 0.005 Å
• c: 14.7094 ± 0.0013 Å
• α: 90°
• β: 96.636 ± 0.009°
• γ: 90°
• Cell volume: 4105.7 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes