Information card for entry 2022548

Structure parameters

• Chemical name: μ-Thiocyanato-κ^2^<i>S</i>:<i>S</i>-bis{[7-(2-cyanoethyl)-1,4-dithia-7-azacyclononane-κ^3^<i>N</i>,<i>S</i>,<i>S</i>']silver(I)} tetrafluoridoborate
• Formula: C19 H32 Ag2 B F4 N5 S5
• Calculated formula: C19 H32 Ag2 B F4 N5 S5
• SMILES: [Ag]12([S](C#N)[Ag]34[S]5CC[N]3(CC[S]4CC5)CCC#N)[S]3CC[N]2(CCC#N)CC[S]1CC3.[B](F)(F)(F)[F-]
• Title of publication: Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)
• Authors of publication: Blake, Alexander J.; Lippolis, Vito; Schroder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 28.537 ± 0.003 Å
• b: 8.4362 ± 0.0011 Å
• c: 27.216 ± 0.003 Å
• α: 90°
• β: 119.94 ± 0.009°
• γ: 90°
• Cell volume: 5677.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes