Information card for entry 4322234

Structure parameters

• Formula: C18 H24 N2 O3 V
• Calculated formula: C18 H24 N2 O3 V
• SMILES: [V]12(=O)(Oc3c(cccc3)C[N]1(C)C)Oc1c(cccc1)C[N]2(C)C
• Title of publication: Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center
• Authors of publication: Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4079 - 4086
• a: 9.4321 ± 0.0007 Å
• b: 14.1919 ± 0.0014 Å
• c: 26.5484 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3553.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.0829
• Goodness-of-fit parameter for all reflections: 0.973
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No