Information card for entry 7052479

Structure parameters

• Formula: C26 H26 Cu N4 O4 S2
• Calculated formula: C26 H26 Cu N4 O4 S2
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N(Cc1cccc[n]21)[Cu]12N(Cc2cccc[n]12)S(=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: 9.9115 ± 0.0007 Å
• b: 17.0894 ± 0.0011 Å
• c: 7.2934 ± 0.0006 Å
• α: 90°
• β: 99.177 ± 0.004°
• γ: 90°
• Cell volume: 1219.56 ± 0.15 ų
• Cell temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No