Information card for entry 7052478

Structure parameters

• Formula: C28 H30 N4 O4 S2 Zn
• Calculated formula: C28 H30 N4 O4 S2 Zn
• SMILES: [Zn]12([n]3c(cccc3C)CN1S(=O)(=O)c1ccc(cc1)C)[n]1c(cccc1C)CN2S(=O)(=O)c1ccc(cc1)C
• Title of publication: Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands
• Authors of publication: Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 98 - 106
• a: 28.1286 ± 0.0005 Å
• b: 12.0327 ± 0.0002 Å
• c: 16.7257 ± 0.0003 Å
• α: 90°
• β: 91.701 ± 0.001°
• γ: 90°
• Cell volume: 5658.54 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No