Information card for entry 2012464

Structure parameters

• Chemical name: 1,1,4,4-tetramethylpiperazinium pentabromothallate(III)
• Formula: C8 H20 Br5 N2 Tl
• Calculated formula: C8 H20 Br5 N2 Tl
• SMILES: C1[N+](CC[N+](C1)(C)C)(C)C.[Tl]([Br-])([Br-])(Br)(Br)Br
• Title of publication: A second polymorph of 1,1,4,4-tetramethylpiperazinium pentabromothallate(III)
• Authors of publication: Linden, Anthony; Petridis, Alexander; James, Bruce D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m53 - m55
• a: 16.0822 ± 0.0003 Å
• b: 9.2422 ± 0.0002 Å
• c: 13.2718 ± 0.0002 Å
• α: 90°
• β: 114.393 ± 0.0008°
• γ: 90°
• Cell volume: 1796.57 ± 0.06 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0349
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes