Information card for entry 4349121

Structure parameters

• Formula: C8 H20 Cl Cr N O3
• Calculated formula: C8 H20 Cl Cr N O3
• Title of publication: Plastic Crystals with Polar Halochromate Anion: Thermosensitive Dielectrics Based upon Plastic Transition and Dipole Rotation.
• Authors of publication: Sun, Yu-Zhi; Huang, Bo; Xu, Wei-Jian; Zhou, Dong-Dong; Chen, Shao-Li; Zhang, Shi-Yong; Du, Zi-Yi; Xie, Yong-Rong; He, Chun-Ting; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11418 - 11425
• a: 11.9438 ± 0.0005 Å
• b: 7.9537 ± 0.0004 Å
• c: 14.4822 ± 0.0006 Å
• α: 90°
• β: 114.148 ± 0.001°
• γ: 90°
• Cell volume: 1255.38 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No