Information card for entry 7208052

Structure parameters

• Formula: C20 H42 N2 O16 Zn4
• Calculated formula: C20 H42 N2 O16 Zn4
• SMILES: C1C[N]23CC[OH][Zn]453[O]1[Zn]([O]=C(C)O4)([O]1CC[N]34CC[O]6[Zn]14([OH]CC3)[O]=C(C)O[Zn]6([O]5CC2)OC(=O)C)OC(=O)C.O.O
• 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: 8.4232 ± 0.0005 Å
• b: 10.0883 ± 0.0005 Å
• c: 10.1361 ± 0.0006 Å
• α: 91.118 ± 0.004°
• β: 113.57 ± 0.005°
• γ: 98.367 ± 0.005°
• Cell volume: 778.19 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No