Information card for entry 2211813

Structure parameters

• Chemical name: diaquachlorozinc(II)‒18-crown-6‒water (1/1/1)
• Formula: C12 H30 Cl2 O9 Zn
• Calculated formula: C12 H30 Cl2 O9 Zn
• SMILES: C1COCCOCCOCCOCCOCCO1.Cl[Zn](Cl)([OH2])[OH2].O
• Title of publication: Diaquachlorozinc(II)‒18-crown-6‒water (1/1/1)
• Authors of publication: Liu, Xi; Guo, Guo-Cong; Sun, Yu-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m275 - m277
• a: 8.412 ± 0.003 Å
• b: 9.885 ± 0.003 Å
• c: 12.812 ± 0.004 Å
• α: 87.047 ± 0.009°
• β: 76.819 ± 0.007°
• γ: 84.039 ± 0.008°
• Cell volume: 1031.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0648
• 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