Information card for entry 2022546

Structure parameters

• Chemical name: Bis[4,7-bis(cyanomethyl)-1-thia-4,7-diazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]silver(I) tetrafluoridoborate
• Formula: C20 H32 Ag B F4 N8 S2
• Calculated formula: C20 H32 Ag B F4 N8 S2
• 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: 10.1813 ± 0.0006 Å
• b: 10.2237 ± 0.0006 Å
• c: 15.0154 ± 0.0009 Å
• α: 73.446 ± 0.002°
• β: 82.398 ± 0.002°
• γ: 61.781 ± 0.002°
• Cell volume: 1320.11 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes