Information card for entry 2201356

Structure parameters

• Common name: (C4 H12 N5) [Tl Br4]
• Chemical name: 1,1-Dimethylbiguanidium Tetrabromide-thallium(III)
• Formula: C4 H12 Br4 N5 Tl
• Calculated formula: C4 H12 Br4 N5 Tl
• SMILES: [Tl](Br)(Br)(Br)[Br-].C(=NC(N(C)C)=[NH2+])(N)N
• Title of publication: 1,1-Dimethylbiguanidium tetrabromothallate(III)
• Authors of publication: He, Zhenliang; Zhu, Miaoli; Ma, Guibin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m647 - m649
• a: 10.191 ± 0.002 Å
• b: 6.954 ± 0.0014 Å
• c: 20.544 ± 0.004 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 1452.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes