Information card for entry 4324529

Structure parameters

• Formula: C10 H20 N2 O S2 V
• Calculated formula: C10 H20 N2 O S2 V
• SMILES: [V]123(SCC[N]43CCC[N]2(CCS1)CCC4)=O
• Title of publication: Tetradentate N2S2 Vanadyl(IV) Coordination Complexes: Synthesis, Characterization, and Reactivity Studies
• Authors of publication: Roxanne M. Jenkins; Tiffany A. Pinder; Michelle L. Hatley; Joseph H. Reibenspies; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1849 - 1855
• a: 7.59 ± 0.003 Å
• b: 20.689 ± 0.009 Å
• c: 8.565 ± 0.003 Å
• α: 90°
• β: 109.55 ± 0.04°
• γ: 90°
• Cell volume: 1267.4 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No