Information card for entry 4086615

Structure parameters

• Formula: C54 H40 Br4 Cl F24 Hg6 N
• Calculated formula: C54 H40 Br4 Cl F24 Hg6 N
• 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: 15.9466 ± 0.0009 Å
• b: 16.61 ± 0.001 Å
• c: 23.6812 ± 0.0014 Å
• α: 90°
• β: 98.0486 ± 0.0012°
• γ: 90°
• Cell volume: 6210.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No