Information card for entry 7220770

Structure parameters

• Formula: C8 H18 Cl2 N2 O8
• Calculated formula: C8 H18 Cl2 N2 O8
• Title of publication: Temperature-induced reversible structural phase transition of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane bis(perchlorate)
• Authors of publication: chen, lizhuang; Cao, Xing-Xing; Huang, Deng-Deng; Pan, Qi-Jian
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.331 ± 0.003 Å
• b: 15.185 ± 0.004 Å
• c: 20.477 ± 0.005 Å
• α: 90°
• β: 90.895 ± 0.003°
• γ: 90°
• Cell volume: 4144.7 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No