Information card for entry 7223580

Structure parameters

• Formula: C60 H72 N8 S8
• Calculated formula: C60 H72 N8 S8
• SMILES: c12c(c(cc(c1)C(C)(C)C)Sc1c(SCCn3nccc3)c(cc(c1)C(C)(C)C)Sc1c(c(cc(c1)C(C)(C)C)Sc1c(SCCn3nccc3)c(S2)cc(c1)C(C)(C)C)SCCn1nccc1)SCCn1nccc1
• Title of publication: Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes
• Authors of publication: Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 691
• a: 26.6378 ± 0.0006 Å
• b: 12.7707 ± 0.0003 Å
• c: 19.6019 ± 0.0004 Å
• α: 90°
• β: 115.002 ± 0.001°
• γ: 90°
• Cell volume: 6043.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No