Information card for entry 2217066

Structure parameters

• Chemical name: 1,1'-(Butane-1,4-diyl)diimidazolium dinitrate
• Formula: C10 H16 N6 O6
• Calculated formula: C10 H16 N6 O6
• SMILES: c1n(cc[nH+]1)CCCCn1c[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: 1,1'-(Butane-1,4-diyl)diimidazolium dinitrate
• Authors of publication: Jin, Shouwen; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o169 - o169
• a: 7.788 ± 0.002 Å
• b: 10.482 ± 0.003 Å
• c: 9.363 ± 0.003 Å
• α: 90°
• β: 110.649 ± 0.004°
• γ: 90°
• Cell volume: 715.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes