Information card for entry 7052484

Structure parameters

• Formula: C18 H24 F6 N4 Ni O6 S2
• Calculated formula: C18 H24 F6 N4 Ni O6 S2
• SMILES: [Ni]12([n]3ccccc3CN1S(=O)(=O)C(F)(F)F)([n]1ccccc1CN2S(=O)(=O)C(F)(F)F)([OH]CC)[OH]CC
• 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: 10.4583 ± 0.0014 Å
• b: 16.052 ± 0.002 Å
• c: 29.546 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4960.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No