Information card for entry 1575394

Structure parameters

• Formula: C5 H7 F3 N2 O3 S
• Calculated formula: C5 H7 F3 N2 O3 S
• 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: 6.7288 ± 0.0004 Å
• b: 15.3912 ± 0.0009 Å
• c: 8.7864 ± 0.0005 Å
• α: 90°
• β: 96.701 ± 0.001°
• γ: 90°
• Cell volume: 903.74 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No