Information card for entry 4343267

Structure parameters

• Formula: C24 H22 Cd3 N2 O17
• Calculated formula: C24 H22 Cd3 N2 O17
• Title of publication: Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.
• Authors of publication: Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6169 - 6175
• a: 20.745 ± 0.002 Å
• b: 8.3255 ± 0.0008 Å
• c: 17.3435 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2995.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No