Information card for entry 7229537

Structure parameters

• Formula: C5 H12 Br3 Cd N
• Calculated formula: C5 H12 Br3 Cd N
• Title of publication: Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals
• Authors of publication: Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 82
• Pages of publication: 52024
• a: 15.322 ± 0.004 Å
• b: 7.0479 ± 0.0014 Å
• c: 10.105 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1091.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No