Information card for entry 1573056

Structure parameters

• Formula: C23 H20 O6 Y
• Calculated formula: C23 H20 O6 Y
• Title of publication: Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.
• Authors of publication: Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19556 - 19563
• a: 6.7432 ± 0.0002 Å
• b: 24.8499 ± 0.0009 Å
• c: 31.0273 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5199.2 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No