Information card for entry 2209421

Structure parameters

• Chemical name: Bis[4-fluoro-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']zinc(II) hemihydrate
• Formula: C30 H21 F2 N4 O4.5 S2 Zn
• Calculated formula: C30 H21 F2 N4 O4.5 S2 Zn
• SMILES: [Zn]23(N(c1cccc5ccc[n]2c15)S(=O)(=O)c1ccc(F)cc1)N(c1cccc2ccc[n]3c12)S(=O)(=O)c1ccc(F)cc1.O
• Title of publication: Bis[4-fluoro-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II) hemihydrate
• 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: 7
• Pages of publication: m1719 - m1721
• a: 23.401 ± 0.001 Å
• b: 16.843 ± 0.001 Å
• c: 17.186 ± 0.001 Å
• α: 90°
• β: 123.71 ± 0.001°
• γ: 90°
• Cell volume: 5634.8 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• 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: 0.1086
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1427
• 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: No