Information card for entry 2010855

Structure parameters

• Formula: C18 H18 O6 Zn
• Calculated formula: C18 H18 O6 Zn
• SMILES: C(=[O]2)(/C=C/c1ccccc1)O[Zn]23([OH2])([OH2])OC(=[O]3)/C=C/c1ccccc1
• Title of publication: <i>cis</i>-Diaquabis(<i>trans</i>-cinnamato-<i>O</i>,<i>O</i>')zinc(II)
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e123 - e123
• a: 11.728 ± 0.004 Å
• b: 5.105 ± 0.003 Å
• c: 14.547 ± 0.002 Å
• α: 90°
• β: 99.83 ± 0.02°
• γ: 90°
• Cell volume: 858.2 ± 0.6 ų
• Cell temperature: 299 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes