Information card for entry 1559447

Structure parameters

• Common name: Hexakis(pyridine)mercury(II) Trifluoromethanesulfonate, [Hg(NC5H5)6](CF3SO3)2
• Formula: C32 H30 F6 Hg N6 O6 S2
• Calculated formula: C32 F6 Hg N6 O6 S2
• SMILES: [Hg]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Crystal and Molecular Structure at 298 and 183 K of Hexakis(pyridine)mercury(II) Trifluoromethanesulfonate, [Hg(NC5H5)6](CF3SO3)2, and Thermal Analyses of Hexapyridine Solvates of Mercury(II)
• Authors of publication: Akesson, Ralf; Sandstrom, Magnus; Stalhandske, Claes; Persson, Ingmar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 165 - 171
• a: 10.98 ± 0.004 Å
• b: 11.206 ± 0.006 Å
• c: 17.736 ± 0.007 Å
• α: 85.1 ± 0.04°
• β: 89.08 ± 0.03°
• γ: 60.57 ± 0.03°
• Cell volume: 1892.9 ± 1.5 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No