Information card for entry 2209994

Structure parameters

• Chemical name: Aquabis[4-nitro-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']zinc(II)
• Formula: C30 H22 N6 O9 S2 Zn
• Calculated formula: C30 H22 N6 O9 S2 Zn
• SMILES: c12cccc3ccc[n](c13)[Zn]1(N2S(=O)(=O)c2ccc(N(=O)=O)cc2)(N(c2cccc3ccc[n]1c23)S(=O)(=O)c1ccc(N(=O)=O)cc1)[OH2]
• Title of publication: Aquabis[4-nitro-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1773 - m1775
• a: 31.407 ± 0.006 Å
• b: 10.12 ± 0.001 Å
• c: 10.342 ± 0.001 Å
• α: 90°
• β: 106.94 ± 0.02°
• γ: 90°
• Cell volume: 3144.5 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes