Information card for entry 4312179

Structure parameters

• Chemical name: Guanidinium Hexaaqua Vanadium Disulphate
• Formula: C H18 N3 O14 S2 V
• Calculated formula: C H18 N3 O14 S2 V
• SMILES: C(=[NH2+])(N)N.[OH2][V]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Title of publication: Structure and Bonding of the Vanadium(III) Hexa-Aqua Cation. 1. Experimental Characterization and Ligand-Field Analysis
• Authors of publication: Philip L.W. Tregenna-Piggott; David Spichiger; Graham Carver; Beatrice Frey; Roland Meier; Høgni Weihe; John A. Cowan; Garry J. McIntyre; Gernot Zahn; Anne-Laure Barra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8049 - 8060
• a: 11.8116 ± 0.0004 Å
• b: 11.8116 ± 0.0004 Å
• c: 9.0311 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1091.16 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 157
• Hermann-Mauguin space group symbol: P 3 1 m
• Hall space group symbol: P 3 -2
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No