Information card for entry 4321294

Structure parameters

• Chemical name: nonaaquabismuth(III) trifluorormethanesulfonate
• Formula: C3 H18 Bi F9 O18 S3
• Calculated formula: C3 H18 Bi F9 O18 S3
• SMILES: C(S(=O)(=O)[O-])(F)(F)F.[Bi]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.C(F)(S(=O)(=O)[O-])(F)F.C(F)(S(=O)(=O)[O-])(F)F.O.O
• Title of publication: Solvation of the Bismuth(III) Ion by Water, Dimethyl Sulfoxide, N,N'-Dimethylpropyleneurea, and N,N-Dimethylthioformamide. An EXAFS, Large-Angle X-ray Scattering, and Crystallographic Structural Study
• Authors of publication: Jan Näslund; Ingmar Persson; Magnus Sandstrom
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4012 - 4021
• a: 13.837 ± 0.002 Å
• b: 13.837 ± 0.002 Å
• c: 7.407 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1228.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No