Information card for entry 2012648

Structure parameters

• Chemical name: cyclo-tetrakis(μ-1,4,7-trithiacyclononane- κ^3^S^1^,S^4^,S^7^:κS^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate
• Formula: C30 H54 Ag4 F12 N2 O16 S16
• Calculated formula: C30 H54 Ag4 F12 N2 O16 S16
• SMILES: C1[S]2[Ag]34S(CC[S]3C1)(CC2)[Ag]12S3(CC[S]1CC[S]2CC3)[Ag]12S3(CC[S]1CC[S]2CC3)[Ag]12S34CC[S]1CC[S]2CC3.FC(F)(S(=O)(=O)[O-])F.FC(S(=O)(=O)[O-])(F)F.N(=O)(=O)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].N(=O)(=O)C
• Title of publication: A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate
• Authors of publication: Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m213 - m214
• a: 14.877 ± 0.004 Å
• b: 14.775 ± 0.003 Å
• c: 15.581 ± 0.004 Å
• α: 90°
• β: 115.8 ± 0.02°
• γ: 90°
• Cell volume: 3083.4 ± 1.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes