Information card for entry 4086617

Structure parameters

• Formula: C60 H20 F24 Hg6 I P
• Calculated formula: C60 H20 F24 Hg6 I P
• SMILES: [I]1234([Hg]5c6c([Hg]1c1c([Hg]2c2c5c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F)c(F)c(F)c(F)c6F)[Hg]1c2c([Hg]3c3c([Hg]4c4c1c(F)c(F)c(F)c4F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Coordination Chemistry of Anticrowns. Synthesis and Structures of Double-Decker Sandwich Complexes of the Three-Mercury Anticrown (o-C6F4Hg)3with Halide Anions Containing and Not Containing Coordinated Dibromomethane Molecules
• Authors of publication: Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Minacheva, Marija Kh.; Tikhonova, Irina A.; Shur, Vladimir B.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 13
• Pages of publication: 2197
• a: 17.7987 ± 0.0017 Å
• b: 27.77 ± 0.003 Å
• c: 11.7368 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5801.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No