Information card for entry 2201416

Structure parameters

• Chemical name: trans-Diaquabis[2-(2-pyridyl)ethanol-κ^2^N,O]zinc(II) disaccharinate
• Formula: C28 H30 N4 O10 S2 Zn
• Calculated formula: C28 H30 N4 O10 S2 Zn
• SMILES: [Zn]12([n]3ccccc3CC[OH]1)([n]1ccccc1CC[OH]2)([OH2])[OH2].S1(=O)(=O)N=C([O-])c2ccccc12.S1(=O)(=O)N=C([O-])c2ccccc12
• Title of publication: <i>trans</i>-Diaquabis[2-(2-pyridyl)ethanol-κ^2^<i>N,O</i>]zinc(II) disaccharinate
• Authors of publication: Hamamci, Sevim; Yilmaz, Veysel T.; Thöne, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m369 - m371
• a: 8.827 ± 0.0006 Å
• b: 8.7748 ± 0.0006 Å
• c: 19.1473 ± 0.001 Å
• α: 90°
• β: 100.833 ± 0.003°
• γ: 90°
• Cell volume: 1456.63 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes