Information card for entry 4073676

Structure parameters

• Formula: C24 H12 F12 Hg3 S3
• Calculated formula: C24 H12 F12 Hg3 S3
• Title of publication: Complexation of [9]Thiacrown-3 and 1,3,5-Trithiane with Cyclic Trimeric Perfluoro-o-phenylenemercury. Synthesis and Structures of the First Complexes of Crown Compounds with an Anticrown
• Authors of publication: Tikhonova, Irina A.; Tugashov, Kirill I.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Shur, Vladimir B.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5193
• a: 5.0886 ± 0.0003 Å
• b: 19.9527 ± 0.001 Å
• c: 25.9185 ± 0.0013 Å
• α: 90°
• β: 95.094 ± 0.001°
• γ: 90°
• Cell volume: 2621.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No