Information card for entry 7028122

Structure parameters

• Formula: C20 H40 Ag2 N2 O6 S8
• Calculated formula: C20 H40 Ag2 N2 O6 S8
• SMILES: C1C[S]2CCC[S]3CC[S]4[Ag]23[S]1CCC[S]1[Ag]23[S](CC[S]2CCC[S]3CC1)CCC4.N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 8.9759 ± 0.0014 Å
• b: 9.5836 ± 0.0016 Å
• c: 11.2004 ± 0.0016 Å
• α: 109.83 ± 0.015°
• β: 94.432 ± 0.016°
• γ: 116.946 ± 0.015°
• Cell volume: 776.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No