Information card for entry 2216623

Structure parameters

• Chemical name: Bis(1H-imidazole-κN^3^)[(2-oxidobenzylideneamino)methanesulfonato-\ κ~2~N,O]zinc(II)
• Formula: C14 H15 N5 O4 S Zn
• Calculated formula: C14 H15 N5 O4 S Zn
• SMILES: [Zn]12(Oc3c(cccc3)C=[N]2CS(=O)(=O)O1)([n]1c[nH]cc1)[n]1cc[nH]c1
• Title of publication: Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)[(2-oxidobenzylideneamino)methanesulfonato-κ^2^<i>N</i>,<i>O</i>]zinc(II)
• Authors of publication: Kun-Huan He; Jia-Ming Li; Yi-Min Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2992 - m2993
• a: 8.7931 ± 0.001 Å
• b: 9.7881 ± 0.0011 Å
• c: 10.8602 ± 0.0012 Å
• α: 90.01 ± 0.001°
• β: 107.443 ± 0.001°
• γ: 100.798 ± 0.001°
• Cell volume: 874.36 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes