Information card for entry 7012691

Structure parameters

• Formula: C45 H63 N7 O6
• Calculated formula: C45 H63 N7 O6
• SMILES: c1(O)c(/C=N/CCN(CC/N=C/c2c(O)c(cc(c2)C)CN2CCOCC2)CC/N=C/c2c(O)c(cc(c2)C)CN2CCOCC2)cc(C)cc1CN1CCOCC1
• 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: 22.87 ± 0.005 Å
• b: 18.41 ± 0.004 Å
• c: 10.36 ± 0.002 Å
• α: 90°
• β: 93.26 ± 0.03°
• γ: 90°
• Cell volume: 4354.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No