Information card for entry 2214353

Structure parameters

• Chemical name: Bis[2-(2-pyridylmethylamino)ethanesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II)
• Formula: C16 H22 N4 Ni O6 S2
• Calculated formula: C16 H22 N4 Ni O6 S2
• SMILES: c12cccc[n]1[Ni]134([n]5c(cccc5)C[NH]1CCS(=O)(=O)O4)[NH](C2)CCS(=O)(=O)O3
• Title of publication: Bis[2-(2-pyridylmethylamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II)
• Authors of publication: Bei-Ling Liao; Jun-Xia Li; Yi-Min Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1974 - m1974
• a: 9.609 ± 0.001 Å
• b: 9.927 ± 0.001 Å
• c: 11.4537 ± 0.0012 Å
• α: 90°
• β: 106.848 ± 0.001°
• γ: 90°
• Cell volume: 1045.66 ± 0.19 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: 0.026
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0683
• 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