Information card for entry 7714939

Structure parameters

• Formula: C336 H462 Co16 N78 O88 S16
• Calculated formula: C246 H242 Co16 N50 O54 S16
• Title of publication: Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.
• Authors of publication: Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4005 - 4009
• a: 12.3693 ± 0.001 Å
• b: 27.89 ± 0.002 Å
• c: 31.192 ± 0.002 Å
• α: 104.673 ± 0.004°
• β: 97.371 ± 0.004°
• γ: 98.45 ± 0.005°
• Cell volume: 10141.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.2713
• Weighted residual factors for all reflections included in the refinement: 0.3079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No