Information card for entry 7707118

Structure parameters

• Formula: C400 H464 Cl8 Co32 N24 O88 S32
• Calculated formula: C400 H464 Cl8 Co32 N24 O88 S32
• 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: 66.638 ± 0.002 Å
• b: 51.3655 ± 0.0004 Å
• c: 36.3667 ± 0.0012 Å
• α: 90°
• β: 143.163 ± 0.007°
• γ: 90°
• Cell volume: 74630 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.1295
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No