Information card for entry 7110854

Structure parameters

• Formula: C19 H17 Cl N4 O3 V
• Calculated formula: C19 H17 Cl N4 O3 V
• SMILES: [V]123(Cl)(=O)[n]4ccccc4C=[N]1c1ccccc1N2C(=O)c1[n]3cccc1.OC
• Title of publication: Structural, electron paramagnetic resonance and electron spin echo envelope modulation studies of oxovanadium(iv)‒amidate compounds containing monoanionic axial ligands: effect on the 51V-hyperfine coupling constants
• Authors of publication: Tolis, Evangelos J.; Soulti, Kalliopi D.; Kabanos, Themistoklis A.; Raptopoulou, Catherine P.; Terzis, Aris; Deligiannakis, Yiannis
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 601
• a: 17.07 ± 0.02 Å
• b: 9.82 ± 0.01 Å
• c: 11.51 ± 0.01 Å
• α: 90°
• β: 94.03 ± 0.04°
• γ: 90°
• Cell volume: 1925 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections: 0.1923
• Weighted residual factors for significantly intense reflections: 0.1453
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No