Information card for entry 7011937

Structure parameters

• Formula: C3 H6 F9 O12 S3 Tl
• Calculated formula: C3 H6 F9 O12 S3 Tl
• SMILES: [Tl]([OH2])([OH2])([OH2])(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Structure and bonding of bisaquamercury(II) and trisaquathallium(III) trifluoromethanesulfonate
• Authors of publication: Alireza Molla-Abbassi; Lars Eriksson; János Mink; Ingmar Persson; Magnus Sandström; Mikhail Skripkin; Ann-Sofi Ullström; Patric Lindqvist-Reis
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4357 - 4364
• a: 26.99 ± 0.009 Å
• b: 13.376 ± 0.004 Å
• c: 19.133 ± 0.006 Å
• α: 90°
• β: 149.737 ± 0.018°
• γ: 90°
• Cell volume: 3481 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No