Information card for entry 7704162

Structure parameters

• Formula: C22 H18 Cd O6
• Calculated formula: C22 H18 Cd O6
• Title of publication: Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.
• Authors of publication: Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5783 - 5786
• a: 5.9985 ± 0.0003 Å
• b: 11.615 ± 0.0009 Å
• c: 14.3679 ± 0.0009 Å
• α: 107.3 ± 0.006°
• β: 99.607 ± 0.005°
• γ: 100.199 ± 0.005°
• Cell volume: 914.63 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No