Information card for entry 7052483

Structure parameters

• Formula: C26 H26 N4 Ni O4 S2
• Calculated formula: C26 H26 N4 Ni O4 S2
• SMILES: c1cccc2[n]1[Ni]1(N(Cc3cccc[n]13)S(=O)(=O)c1ccc(cc1)C)N(C2)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: 7.3347 ± 0.0003 Å
• b: 17.0575 ± 0.0006 Å
• c: 9.822 ± 0.0003 Å
• α: 90°
• β: 99.139 ± 0.001°
• γ: 90°
• Cell volume: 1213.25 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No