Information card for entry 2023028

Structure parameters

• Chemical name: Diethylammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyridin-2-yl)carbonylazanidyl]pyridine-2-carboximidato}vanadate(1-) monohydrate
• Formula: C16 H22 N5 O5 V
• Calculated formula: C16 H22 N5 O5 V
• Title of publication: Crystal structure of di-ethyl-ammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate.
• Authors of publication: Mondal, Bipul
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 3
• Pages of publication: 277 - 280
• a: 7.685 ± 0.0004 Å
• b: 9.4135 ± 0.0004 Å
• c: 13.9147 ± 0.0007 Å
• α: 105.609 ± 0.002°
• β: 101.103 ± 0.002°
• γ: 96.253 ± 0.002°
• Cell volume: 937.5 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes