Information card for entry 7012690

Structure parameters

• Common name: [Ni(9)SO4]
• Formula: C56 H94.5 N6 Ni O12.25 S
• Calculated formula: C56 H84 N6 Ni O12.25 S
• Title of publication: Exploiting supramolecular chemistry in metal recovery: novel zwitterionic extractants for nickel(ii) saltsBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.
• Authors of publication: Akkus, Nilgun; Campbell, John C.; Davidson, James; Henderson, David K.; Miller, Hamish A.; Parkin, Andrew; Parsons, Simon; Plieger, Paul G.; Swart, Ronald M.; Tasker, Peter A.; West, Lee C.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1932
• a: 13.4209 ± 0.0015 Å
• b: 20.963 ± 0.002 Å
• c: 23.789 ± 0.003 Å
• α: 90°
• β: 103.006 ± 0.002°
• γ: 90°
• Cell volume: 6521.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2002
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2791
• Weighted residual factors for all reflections included in the refinement: 0.3368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No