Information card for entry 2207353

Structure parameters

• Chemical name: 4-tert-Butyl-2,6-bis[(imidazolium-1-yl)methyl]phenol tetrachlorozinc(II)
• Formula: C18 H24 Cl4 N4 O Zn
• Calculated formula: C18 H24 Cl4 N4 O Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].Oc1c(cc(cc1Cn1c[nH+]cc1)C(C)(C)C)Cn1cc[nH+]c1
• Title of publication: 4-<i>tert</i>-Butyl-2,6-bis[(imidazolium-1-yl)methyl]phenol tetrachlorozincate(II)
• Authors of publication: Xu, Gang; Cui, Yu-Bo; Huang, Wei; Gou, Shao-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2443 - m2445
• a: 10.051 ± 0.001 Å
• b: 11.329 ± 0.001 Å
• c: 11.703 ± 0.001 Å
• α: 62.88 ± 0.01°
• β: 77.54 ± 0.01°
• γ: 82.38 ± 0.01°
• Cell volume: 1157.2 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes