Information card for entry 7217076

Structure parameters

• Formula: C20 H19 Ca Cd N O12
• Calculated formula: C20 H19 Ca Cd N O12
• Title of publication: Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters
• Authors of publication: Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 8047
• a: 9.9912 ± 0.0003 Å
• b: 21.7677 ± 0.0009 Å
• c: 10.2461 ± 0.0004 Å
• α: 90°
• β: 91.975 ± 0.003°
• γ: 90°
• Cell volume: 2227.05 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No