Information card for entry 7208051

Structure parameters

• Formula: C10 H21 N O7 Zn
• Calculated formula: C10 H21 N O7 Zn
• SMILES: [Zn]12([OH]CC[N]2(CCO)CC[OH]1)(OC(=O)C)OC(=O)C
• Title of publication: Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO
• Authors of publication: Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4472
• a: 6.0895 ± 0.0004 Å
• b: 10.4778 ± 0.0009 Å
• c: 11.4086 ± 0.001 Å
• α: 73.688 ± 0.007°
• β: 77.256 ± 0.007°
• γ: 85.402 ± 0.006°
• Cell volume: 681.28 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1988
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No