Information card for entry 2222198

Structure parameters

• Chemical name: Bis[2-(2-pyridylmethylamino)ethanesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]zinc(II
• Formula: C16 H22 N4 O6 S2 Zn
• Calculated formula: C16 H22 N4 O6 S2 Zn
• SMILES: c1cccc2C[NH]3CCS(=O)(=O)O[Zn]453([n]12)[n]1ccccc1C[NH]4CCS(=O)(=O)O5
• Title of publication: Bis[2-(2-pyridylmethylamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]zinc(II)
• Authors of publication: Du, Zhong-Xiang; Zhang, Gui-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m706
• a: 9.6288 ± 0.0013 Å
• b: 10.0047 ± 0.0013 Å
• c: 11.3624 ± 0.0015 Å
• α: 90°
• β: 105.965 ± 0.001°
• γ: 90°
• Cell volume: 1052.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes