Information card for entry 4306968

Structure parameters

• Common name: [V3(m3-O)(m-OOCCH2Cl)6(H2O)3][CF3SO3]H2O (7)
• Formula: C13 H20 Cl6 F3 O20 S V3
• Calculated formula: C13 H12 Cl6 F3 O19 S V3
• SMILES: [V]1234([O]=C(O[V]56([O]=C(O1)CCl)([O]=C(O[V]([O]=C(O5)CCl)(OC(=[O]2)CCl)([O]=C(O3)CCl)([O]46)=O)CCl)=O)CCl)=O.[O-]S(=O)(=O)C(F)(F)F
• Title of publication: Structural and Spectroscopic Evidence for the Formation of Trinuclear and Tetranuclear Vanadium(III)/Carboxylate Complexes of Acetate and Related Derivatives in Aqueous Solution
• Authors of publication: Riya Mukherjee; Brenda A. Dougan; Fiona H. Fry; Scott D. Bunge; Christopher J. Ziegler; Nicola E. Brasch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1575 - 1585
• a: 13.4904 ± 0.0012 Å
• b: 14.0237 ± 0.0012 Å
• c: 18.0199 ± 0.0016 Å
• α: 90°
• β: 107.065 ± 0.002°
• γ: 90°
• Cell volume: 3259 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No