Information card for entry 7714937

Structure parameters

• Formula: C600 H928 Fe24 N160 O166 S24
• Calculated formula: C336 H312 Fe24 N72 O78 S24
• 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: 28.4778 ± 0.0018 Å
• b: 28.4778 ± 0.0018 Å
• c: 47.72 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38700 ± 4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.3049
• Weighted residual factors for all reflections included in the refinement: 0.3359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No