Information card for entry 2219114

Structure parameters

• Chemical name: 3,3'-(Butane-1,4-diyl)diimidazole-1,1'-diium bis(triiodide)
• Formula: C10 H16 I6 N4
• Calculated formula: C10 H16 I6 N4
• SMILES: c1c[nH+]cn1CCCCn1cc[nH+]c1.I[I-]I.I[I-]I
• Title of publication: 3,3'-(Butane-1,4-diyl)diimidazole-1,1'-diium bis(triiodide)
• Authors of publication: Shi, Ai-E.; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1561
• a: 8.4753 ± 0.0017 Å
• b: 9.7177 ± 0.0019 Å
• c: 14.11 ± 0.003 Å
• α: 95.77 ± 0.03°
• β: 92.82 ± 0.03°
• γ: 107.17 ± 0.03°
• Cell volume: 1100.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes