Information card for entry 2231535

Structure parameters

• Chemical name: Aqua{6,6'-diethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}zinc
• Formula: C20 H24 N2 O5 Zn
• Calculated formula: C20 H24 N2 O5 Zn
• SMILES: [Zn]123([N](=Cc4c(O2)c(OCC)ccc4)CC[N]1=Cc1c(O3)c(OCC)ccc1)[OH2]
• Title of publication: Aqua{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}zinc
• Authors of publication: Wang, Chen-Yi; Wu, Xiang; Hu, Juan-Juan; Han, Zhi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1220
• a: 13.545 ± 0.003 Å
• b: 11.55 ± 0.002 Å
• c: 14.327 ± 0.003 Å
• α: 90°
• β: 115.656 ± 0.003°
• γ: 90°
• Cell volume: 2020.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes