Information card for entry 7707119

Structure parameters

• Formula: C532.73 H790.5 Cl8 Co32 N73.3 O136.83 S32
• Calculated formula: C430.733 H548.5 Cl8 Co32 N39.3 O102.833 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: 49.3116 ± 0.001 Å
• b: 26.6728 ± 0.0004 Å
• c: 56.2706 ± 0.001 Å
• α: 90°
• β: 97.979 ± 0.002°
• γ: 90°
• Cell volume: 73295 ± 2 ų
• Cell temperature: 110.9 ± 0.5 K
• Ambient diffraction temperature: 110.9 ± 0.5 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: 0.1356
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2885
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No