Information card for entry 4309272

Structure parameters

• Formula: C12 H31 Cl O19.5 V3
• Calculated formula: C12 H24 Cl O16 V3
• SMILES: C1(C)=[O][V]234([O]5[V]6([OH2])(O1)([O]=C(C)O2)OC(C)=[O][V]5([OH2])([O]=C(C)O6)(OC(C)=[O]3)[O]=C(C)O4)[OH2].[Cl-]
• Title of publication: Characterization of Novel Vanadium(III)/Acetate Clusters Formed in Aqueous Solution
• Authors of publication: Fiona H. Fry; Brenda A. Dougan; Nichola McCann; Christopher J. Ziegler; Nicola E. Brasch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5197 - 5199
• a: 13.6094 ± 0.0014 Å
• b: 23.118 ± 0.002 Å
• c: 9.134 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2873.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No