Information card for entry 7053011

Structure parameters

• Common name: bis(1,3-diphenylpropane-1,3-dionato)(3- methylpyridine)oxovanadium(IV)
• Chemical name: bis(1,3-diphenylpropane-1,3-dionato)(3-methylpyridine)oxovanadium(IV)
• Formula: C36 H29 N O5 V
• Calculated formula: C36 H29 N O5 V
• SMILES: [V]12(=O)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)[n]1cc(ccc1)C
• Title of publication: VO⋯C interactions in crystal structures of oxovanadium-coordination compounds
• Authors of publication: Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 619
• a: 10.8327 ± 0.0011 Å
• b: 20.919 ± 0.003 Å
• c: 13.3107 ± 0.0014 Å
• α: 90°
• β: 104.117 ± 0.009°
• γ: 90°
• Cell volume: 2925.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No