Information card for entry 7229052

Structure parameters

• Formula: C6 H20 Ca Cl2 N2 O6
• Calculated formula: C6 H20 Ca Cl2 N2 O6
• Title of publication: Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties
• Authors of publication: chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.8232 ± 0.0003 Å
• b: 8.8232 ± 0.0003 Å
• c: 9.5989 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 747.26 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No