Information card for entry 7052480

Structure parameters

• Formula: C14 H12 Cu F6 N4 O4 S2
• Calculated formula: C14 Cu F6 N4 O4 S2
• SMILES: [Cu]12([n]3c(cccc3)CN2S(=O)(=O)C(F)(F)F)N(S(=O)(=O)C(F)(F)F)Cc2[n]1cccc2
• 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: 9.0349 ± 0.0011 Å
• b: 10.2869 ± 0.0014 Å
• c: 20.698 ± 0.003 Å
• α: 90°
• β: 91.706 ± 0.005°
• γ: 90°
• Cell volume: 1922.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.1409
• Weighted residual factors for significantly intense reflections: 0.3597
• Weighted residual factors for all reflections included in the refinement: 0.368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No