Information card for entry 4077764

Structure parameters

• Formula: C7.5 H3.5 Cl F5 Hg N0.5 O0.5
• Calculated formula: C7.5 H3.5 Cl F5 Hg N0.5 O0.5
• SMILES: [Hg](Cl)c1c(c(c(c(c1F)F)F)F)F.O=CN(C)C
• Title of publication: Complexation of DMF and DMSO by a Monodentate Organomercurial Lewis Acid
• Authors of publication: Tschinkl, Martin; Schier, Annette; Riede, Jürgen; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2040
• a: 10.445 ± 0.001 Å
• b: 12.962 ± 0.003 Å
• c: 15.404 ± 0.003 Å
• α: 101.37 ± 0.01°
• β: 95.97 ± 0.01°
• γ: 92.78 ± 0.01°
• Cell volume: 2028.4 ± 0.6 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 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 all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.0874
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No