Information card for entry 7021632

Structure parameters

• Formula: C20 H34 N2 O10 S2 V2
• Calculated formula: C20 H34 N2 O10 S2 V2
• SMILES: C1CO[V]23([N]1(CCO2)Cc1c(O3)cc2C[N]34CCO[V]4(OCC3)(Oc2c1)(=O)[O]=S(C)C)(=O)[O]=S(C)C
• Title of publication: Vanadium(iv/v)-p-dioxolene temperature induced electron transfer associated with ligation/deligation of solvent molecules.
• Authors of publication: Drouza, Chryssoula; Vlasiou, Manos; Keramidas, Anastasios D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11831 - 11840
• a: 13.3994 ± 0.0008 Å
• b: 6.708 ± 0.0003 Å
• c: 14.585 ± 0.0008 Å
• α: 90°
• β: 110.353 ± 0.007°
• γ: 90°
• Cell volume: 1229.1 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0414
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No