Information card for entry 7042400

Structure parameters

• Formula: C6 H21 Br8 Cd N3
• Calculated formula: C1.09091 H3.81818 Br1.45455 Cd0.181818 N0.545455
• Title of publication: High-temperature structural phase transition coupled with dielectric switching in an organic-inorganic hybrid crystal: [NH3(CH2)2Br]3CdBr5.
• Authors of publication: Chen, Hai-Peng; Wang, Zhong-Xia; Chen, Cheng; Lu, Yang; Yin, Zi; Sun, Xiao-Fen; Fu, Da-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4711 - 4716
• a: 23.84 ± 0.05 Å
• b: 7.875 ± 0.011 Å
• c: 23.38 ± 0.04 Å
• α: 90°
• β: 102.14 ± 0.03°
• γ: 90°
• Cell volume: 4291 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No