Information card for entry 7707120

Structure parameters

• Formula: C680 H1023 Cl10 Co40 N97 O177 S40
• Calculated formula: C521 H652 Cl10 Co40 N44 O124 S40
• 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: 23.7232 ± 0.0003 Å
• b: 31.4851 ± 0.0004 Å
• c: 36.7204 ± 0.0005 Å
• α: 69.633 ± 0.001°
• β: 71.579 ± 0.001°
• γ: 84.696 ± 0.001°
• Cell volume: 24390.5 ± 0.6 ų
• Cell temperature: 119.99 ± 0.13 K
• Ambient diffraction temperature: 119.99 ± 0.13 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No