Information card for entry 2014403

Structure parameters

• Chemical name: Racemic cis-methoxobis(2-methyl-3-oxo-4H-pyran-4-olato)oxovanadium(V)
• Formula: C13 H13 O8 V
• Calculated formula: C13 H13 O8 V
• SMILES: [V]12(OC3=C(OC=CC3=[O]1)C)(OC1C(=[O]2)C=COC=1C)(OC)=O
• Title of publication: Racemic <i>cis</i>-methoxobis(2-methyl-3-oxo-4<i>H</i>-pyran-4-olato)oxovanadium(V) redetermined at 120K: hydrogen-bonded ribbons containing <i>R</i>~2~^2^(7), <i>R</i>~2~^2^(14) and <i>R</i>~4~^4^(18) rings
• Authors of publication: Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m116 - m118
• a: 28.007 ± 0.002 Å
• b: 7.6637 ± 0.0006 Å
• c: 13.3083 ± 0.001 Å
• α: 90°
• β: 93.937 ± 0.004°
• γ: 90°
• Cell volume: 2849.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1578
• 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: Yes