Information card for entry 7028120

Structure parameters

• Formula: C16 H32 Br4 Hg2 S8
• Calculated formula: C16 H32 Br4 Hg2 S8
• SMILES: Br[Hg]1(Br)[S]2CCSCCSCC[S]3CC[S](CCSCCSCC[S]1CC2)[Hg]3(Br)Br
• Title of publication: Mercury(II), silver(I) and gold(I) thioether crown chemistry: synthesis, electrochemistry and structures of [(HgBr2)2([24]aneS8)], [{Ag2([24]aneS8)(CF3SO3)2(MeCN)2}∞], [Ag2([28]aneS8)][NO3]2 and [Au2([28]aneS8)][PF6]2 ([24]aneS8 = 1,4,7,10,13,16,19,22-octathiacyclotetracosane; [28]aneS8 = 1,4,8,11,15,18,22,25-octathiacyclooctacosane)
• Authors of publication: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Taylor, Anne; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 17
• Pages of publication: 2931
• a: 8.5311 ± 0.0011 Å
• b: 8.1 ± 0.004 Å
• c: 22.425 ± 0.003 Å
• α: 90°
• β: 100.461 ± 0.014°
• γ: 90°
• Cell volume: 1523.9 ± 0.8 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0811
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No