Information card for entry 7004736

Structure parameters

• Common name: chlorodioxobis(pyridine)vanadium(V)
• Chemical name: chlorodioxobis(pyridine)vanadium(V)
• Formula: C10 H10 Cl N2 O2 V
• Calculated formula: C10 H10 Cl N2 O2 V
• SMILES: [V](Cl)(=O)(=O)([n]1ccccc1)[n]1ccccc1
• Title of publication: Synthesis, chemistry and structures of complexes of the dioxovanadium(v) halides VO2F and VO2Cl
• Authors of publication: Davis, Martin F.; Jura, Marek; Leung, Alethea; Levason, William; Littlefield, Benjamin; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6265 - 6273
• a: 5.9806 ± 0.001 Å
• b: 7.3517 ± 0.001 Å
• c: 25.96 ± 0.004 Å
• α: 90°
• β: 93.454 ± 0.01°
• γ: 90°
• Cell volume: 1139.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No