Information card for entry 7224664

Structure parameters

• Formula: C24 H24 Cl4.5 N1.5 O3
• Calculated formula: C24 H24 Cl4.5 N1.5 O3
• Title of publication: Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material
• Authors of publication: Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3606
• a: 28.2869 ± 0.0004 Å
• b: 17.9428 ± 0.0003 Å
• c: 10.2513 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5203.01 ± 0.12 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2402
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No