Information card for entry 2201794

Structure parameters

• Chemical name: chloro(triethanolaminato)zinc(II)
• Formula: C6 H14 Cl N O3 Zn
• Calculated formula: C6 H14 Cl N O3 Zn
• SMILES: [Zn]1(Cl)OCC[N]1(CCO)CCO
• Title of publication: Redetermination of chloro(triethanolaminato)zinc(II) at 150K
• Authors of publication: Lutz, Martin; Bakker, Ruud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m74 - m76
• a: 7.4014 ± 0.0009 Å
• b: 8.0163 ± 0.0006 Å
• c: 8.2906 ± 0.0012 Å
• α: 89.413 ± 0.009°
• β: 77.541 ± 0.009°
• γ: 74.655 ± 0.008°
• Cell volume: 462.62 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes