Information card for entry 7208527

Structure parameters

• Common name: Bis(4-chloro-anilinium) pentabromocadmate
• Formula: C18 H21 Br5 Cd Cl3 N3
• Calculated formula: C18 H21 Br5 Cd Cl3 N3
• Title of publication: Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition
• Authors of publication: Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5795
• a: 15.033 ± 0.002 Å
• b: 8.0189 ± 0.0012 Å
• c: 23.103 ± 0.004 Å
• α: 90°
• β: 99.649 ± 0.008°
• γ: 90°
• Cell volume: 2745.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1254
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No