Information card for entry 2237605

Structure parameters

• Chemical name: <i>cis</i>-Dichloridobis(ethyl methyl sulfide-κ<i>S</i>)oxidovanadium(IV)
• Formula: C6 H16 Cl2 O S2 V
• Calculated formula: C6 H16 Cl2 O S2 V
• SMILES: [V](Cl)(Cl)([S](CC)C)([S](C)CC)=O
• Title of publication: <i>cis</i>-Dichloridobis(ethyl methyl sulfide-κ<i>S</i>)oxidovanadium(IV)
• Authors of publication: Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m209
• a: 10.503 ± 0.003 Å
• b: 10.386 ± 0.003 Å
• c: 11.89 ± 0.004 Å
• α: 90°
• β: 93.484 ± 0.003°
• γ: 90°
• Cell volume: 1294.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes