Information card for entry 7050410

Structure parameters

• Formula: C16 H16 F6 N4 O4 S2 Zn
• Calculated formula: C16 H16 F6 N4 O4 S2 Zn
• SMILES: [Zn]12([n]3c(CN2S(=O)(=O)C(F)(F)F)cccc3C)N(S(=O)(=O)C(F)(F)F)Cc2[n]1c(ccc2)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: 7.9725 ± 0.0002 Å
• b: 9.4317 ± 0.0002 Å
• c: 14.7462 ± 0.0004 Å
• α: 81.984 ± 0.001°
• β: 81.13 ± 0.001°
• γ: 81.744 ± 0.001°
• Cell volume: 1076.38 ± 0.05 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No