Information card for entry 7217820

Structure parameters

• Formula: C5 H6 Br3 Cd N
• Calculated formula: C5 H6 Br3 Cd N
• Title of publication: Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]
• Authors of publication: Jin, Jing; Jin, Lei; Su, En-Ben
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9284
• a: 7.038 ± 0.004 Å
• b: 15.257 ± 0.008 Å
• c: 17.946 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1927 ± 1.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No