Information card for entry 7121088

Structure parameters

• Formula: C68 H36 Cd3 N9 O18
• Calculated formula: C68 H36 Cd3 N9 O18
• Title of publication: Aldehyde-functionalized metal-organic frameworks for selective sensing of homocysteine over Cys, GSH and other natural amino acids.
• Authors of publication: Wang, Jian; Liu, Yanhong; Jiang, Min; Li, Yang; Xia, Lingling; Wu, Pengyan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1004 - 1007
• a: 25.456 ± 0.004 Å
• b: 20.581 ± 0.003 Å
• c: 13.704 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7179.7 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.2973
• Weighted residual factors for all reflections included in the refinement: 0.3314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No