Information card for entry 8102006

Structure parameters

• Chemical name: ethanolammonium dioxo-(N-(2-ethanolato)-2-oxy-3-methoxybenzaldiminato-O,N,O')vanadate(V)
• Formula: C12 H19 N2 O6 V
• Calculated formula: C12 H19 N2 O6 V
• SMILES: [V]12(Oc3c(OC)cccc3C=[N]2CCO1)(=O)=O.[NH3+]CCO
• Title of publication: Crystal structure of ethanolammonium dioxo-(N-(2-ethanolato)-2-oxy- 3-methoxybenzaldiminato-O,N,O')-vanadate(V), (NH~3~CH~2~CH~2 ~OH) [VO~2~{(C~6~H~4~(OCH~3~)(O)CHNCCH~2~CH~2~O}]
• Authors of publication: Feng, J.-N.; Zhou, Y.-Z.; Zhu, H.-J.; Tu, S.-J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 343 - 344
• a: 8.9863 ± 0.0015 Å
• b: 13.168 ± 0.002 Å
• c: 13.243 ± 0.002 Å
• α: 90°
• β: 108.677 ± 0.002°
• γ: 90°
• Cell volume: 1484.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No