Information card for entry 1575396

Structure parameters

• Formula: C108 H64 O44 Zr6
• Calculated formula: C108 H64 O43.96 Zr6
• Title of publication: On metal-organic framework isomers, and the SF₆ sorption and fluorescence of an In and a Zr MOF with a tritopic linker.
• Authors of publication: Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 74
• Pages of publication: 14129 - 14132
• a: 24.3152 ± 0.0003 Å
• b: 24.3152 ± 0.0003 Å
• c: 18.9359 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11195.5 ± 0.3 ų
• Cell temperature: 100 ± 0.9 K
• Ambient diffraction temperature: 100 ± 0.9 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No