Information card for entry 7229543

Structure parameters

• Formula: C25 H28 Ag2 F12 N2 O2 P2 S2
• Calculated formula: C25 H28 Ag2 F12 N2 O2 P2 S2
• Title of publication: Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation
• Authors of publication: Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 19.6427 ± 0.0005 Å
• b: 10.2297 ± 0.0003 Å
• c: 16.2 ± 0.0004 Å
• α: 90°
• β: 108.408 ± 0.001°
• γ: 90°
• Cell volume: 3088.65 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No