Information card for entry 7021631

Structure parameters

• Formula: C16 H22 N2 O8 V2
• Calculated formula: C16 H22 N2 O8 V2
• SMILES: C1CO[V]23(Oc4cc5C[N]67CCO[V]7(OCC6)(Oc5cc4C[N]12CCO3)=O)=O
• 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: 6.4465 ± 0.0005 Å
• b: 11.4952 ± 0.0007 Å
• c: 12.5252 ± 0.0008 Å
• α: 90°
• β: 96.512 ± 0.006°
• γ: 90°
• Cell volume: 922.18 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No