Information card for entry 8102044

Structure parameters

• Chemical name: 2-aminoethethylammonium [(2-oxyacetophenone benzoylhydrazonato)dioxovanadate]
• Formula: C17 H21 N4 O5 V
• Calculated formula: C17 H21 N4 O5 V
• SMILES: [V]12(Oc3ccccc3C(=[N]2N=C(O1)c1ccc(O)cc1)C)(=O)=O.NCC[NH3+]
• Title of publication: Crystal structure of 2-aminoethylammonium (2-oxyacetophenone benzoylhydrazonato)dioxovanadate(V), [H~2~N(CH~2~)~2~NH~3~][VO~2~(C~15~H~12~N~2~O~3~)]
• Authors of publication: Zhou, Y.-Z.; Zhang, X.-M.; Feng, J.-N.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 449 - 450
• a: 12.088 ± 0.002 Å
• b: 6.8997 ± 0.0012 Å
• c: 22.655 ± 0.004 Å
• α: 90°
• β: 92.964 ± 0.003°
• γ: 90°
• Cell volume: 1887 ± 0.6 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: 0.0634
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No