Information card for entry 7241352

Structure parameters

• Formula: C164 H176 Co8 N3 O20 S16
• Calculated formula: C164 H176 Co8 N3 O20 S16
• Title of publication: Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution
• Authors of publication: Li, Kaiyue; Liao, Wuping
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 49.4477 ± 0.0009 Å
• b: 49.4477 ± 0.0009 Å
• c: 39.5019 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 83645 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No