Information card for entry 4306965

Structure parameters

• Common name: [V4(H2O)8(m-OOCCF3)4(m-OH)4]Cl4 (1)
• Formula: C8 H35 Cl4 F12 O27.5 V4
• Calculated formula: C8 H20 Cl4 F12 O20 V4
• SMILES: FC(C1=[O][V]23([OH][V]4([OH][V]5([OH][V]([OH]2)(O1)([O]=C(C(F)(F)F)O5)([OH2])[OH2])(OC(C(F)(F)F)=[O]4)([OH2])[OH2])([O]=C(C(F)(F)F)O3)([OH2])[OH2])([OH2])[OH2])(F)F.[Cl-].[Cl-].[Cl-].[Cl-]
• 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: 11.8284 ± 0.001 Å
• b: 26.167 ± 0.002 Å
• c: 18.98 ± 0.0012 Å
• α: 90°
• β: 127.331 ± 0.004°
• γ: 90°
• Cell volume: 4671.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No