Information card for entry 7219543

Structure parameters

• Formula: C21 H45.5 Cl2 N2 O14.5
• Calculated formula: C21 H46 Cl2 N2 O14.5
• Title of publication: A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states
• Authors of publication: Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2479
• a: 10.337 ± 0.002 Å
• b: 11.655 ± 0.002 Å
• c: 13.504 ± 0.003 Å
• α: 90°
• β: 108.17 ± 0.03°
• γ: 90°
• Cell volume: 1545.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No