Information card for entry 8105326

Structure parameters

• Formula: C15 H24 N6 O5 S V
• Calculated formula: C15 H24 N6 O5 S V
• SMILES: c1[n](ccn1CC)[V]1([n]2cn(cc2)CC)([n]2cn(cc2)CC)(=O)OS(=O)(=O)O1
• Title of publication: The crystal structure of tris(1-ethylimidazole-κ1 N)-(sulfato-κ2 O,O′)vanadium(IV), C15H24N6O5SV
• Authors of publication: Fu, Yi-Ru; Luan, Jian; Wang, Xiao-Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 905 - 906
• a: 16.0059 ± 0.0009 Å
• b: 9.1008 ± 0.0006 Å
• c: 14.2686 ± 0.0007 Å
• α: 90°
• β: 100.352 ± 0.002°
• γ: 90°
• Cell volume: 2044.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No