Information card for entry 7229364

Structure parameters

• Formula: C28 H30 Cd N2 O13
• Calculated formula: C28 H24 Cd N2 O13
• Title of publication: Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker
• Authors of publication: Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.784 ± 0.004 Å
• b: 13.024 ± 0.004 Å
• c: 16.815 ± 0.006 Å
• α: 90°
• β: 91 ± 0.02°
• γ: 90°
• Cell volume: 2799.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No