Information card for entry 2208579

Structure parameters

• Chemical name: Aqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)
• Formula: C17 H18 N2 O3 Zn
• Calculated formula: C17 H18 N2 O3 Zn
• SMILES: c12ccccc2C=[N]2[Zn]3(O1)([OH2])[N](=Cc1c(cccc1)O3)CCC2
• Title of publication: Aqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)
• Authors of publication: Odoko, Mamiko; Tsuchida, Natsuko; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m710 - m711
• a: 8.731 ± 0.007 Å
• b: 24.06 ± 0.02 Å
• c: 7.488 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573 ± 2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No