Information card for entry 7707117

Structure parameters

• Formula: C318 H366 Co30 N30 O90 S24
• Calculated formula: C306 H318 Co30 N24 O90 S24
• Title of publication: A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.
• Authors of publication: Zhang, Kai; Du, Shao-Wu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6181 - 6187
• a: 37.3887 ± 0.0002 Å
• b: 37.3887 ± 0.0002 Å
• c: 37.3887 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 52266.2 ± 0.5 ų
• Cell temperature: 110.3 ± 0.2 K
• Ambient diffraction temperature: 110.3 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2575
• Residual factor for significantly intense reflections: 0.1571
• Weighted residual factors for significantly intense reflections: 0.441
• Weighted residual factors for all reflections included in the refinement: 0.4962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.505
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No