Information card for entry 7229544

Structure parameters

• Formula: C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4
• Calculated formula: C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4
• 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: 10.6576 ± 0.0005 Å
• b: 17.0361 ± 0.0008 Å
• c: 20.7041 ± 0.0009 Å
• α: 83.502 ± 0.002°
• β: 76.853 ± 0.002°
• γ: 73.03 ± 0.002°
• Cell volume: 3496.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No