Information card for entry 4312494

Structure parameters

• Common name: VO~2~(C~10~H~13~N~2~O~2~)^.^2H~2~O
• Formula: C10 H17 N2 O6 V
• Calculated formula: C10 H17 N2 O6 V
• SMILES: [V]12(=O)(=O)Oc3ccccc3C=[N]2CC(O1)C[NH3+].O.O
• Title of publication: Vanadium(IV) and Vanadium(V) Complexes of Salicyladimine Ligands
• Authors of publication: Kathryn I. Smith; Londa L. Borer; Marilyn M. Olmstead
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7410 - 7415
• a: 6.9004 ± 0.0005 Å
• b: 26.628 ± 0.002 Å
• c: 7.2583 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1333.67 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No