Information card for entry 2218202

Structure parameters

• Chemical name: 1,1'-(Butane-1,4-diyl)diimidazole-3,3'-diium tetrachloridozincate(II) dihydrate
• Formula: C10 H20 Cl4 N4 O2 Zn
• Calculated formula: C10 H20 Cl4 N4 O2 Zn
• SMILES: c1c[nH+]cn1CCCCn1cc[nH+]c1.O.Cl[Zn](Cl)([Cl-])[Cl-].O
• Title of publication: 1,1'-(Butane-1,4-diyl)diimidazole-3,3'-diium tetrachloridozincate(II) dihydrate
• Authors of publication: Yu, Ying-Hui; Shi, Ai-E; Su, Yu; Hou, Guang-Feng; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m628
• a: 7.401 ± 0.0015 Å
• b: 10.927 ± 0.002 Å
• c: 11.058 ± 0.002 Å
• α: 90°
• β: 95.23 ± 0.03°
• γ: 90°
• Cell volume: 890.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes