Information card for entry 7223579

Structure parameters

• Formula: C60 H74 N8 O5 S4
• Calculated formula: C60 H70 N8 O5 S4
• 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: 15.2164 ± 0.0012 Å
• b: 13.1809 ± 0.001 Å
• c: 29.309 ± 0.002 Å
• α: 90°
• β: 92.577 ± 0.003°
• γ: 90°
• Cell volume: 5872.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1732
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2497
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No