Information card for entry 7027205

Structure parameters

• Formula: C18 H12 N3 O3 V
• Calculated formula: C18 H12 N3 O3 V
• SMILES: [V]12(Oc3ccccc3c3[n]1c(c1n3cccc1)c1[n]2cccc1)(=O)=O
• Title of publication: Vanadium(V) complexes based on a bis(pyridine)-imine ligand (HL); synthesis and crystal structure of a dioxovanadium(V) complex involving a ligand cyclisation
• Authors of publication: Ligtenbarg, Alette G. J.; Spek, Anthony L.; Hage, Ronald; Feringa, Ben L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 659
• a: 7.0787 ± 0.0016 Å
• b: 16.833 ± 0.005 Å
• c: 13.573 ± 0.005 Å
• α: 90°
• β: 115.21 ± 0.02°
• γ: 90°
• Cell volume: 1463.3 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0992
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No