Information card for entry 4349120

Structure parameters

• Formula: C16 H40 Br2 Cr2 N2 O6
• Calculated formula: C16 H40 Br2 Cr2 N2 O6
• 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: 7.2636 ± 0.0001 Å
• b: 21.4895 ± 0.0003 Å
• c: 16.7111 ± 0.0003 Å
• α: 90°
• β: 91.779 ± 0.001°
• γ: 90°
• Cell volume: 2607.2 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No