Information card for entry 7012039

Structure parameters

• Formula: C36 H52 Cu N4 O2
• Calculated formula: C36 H52 Cu N4 O2
• SMILES: [Cu]123Oc4c(cc(cc4C=[N]1CC[N]3=Cc1c(c(cc(c1)C(C)(C)C)CN1CCCCC1)O2)C(C)(C)C)CN1CCCCC1
• Title of publication: Solvent extraction of metal sulfates by zwitterionic forms of ditopic ligands
• Authors of publication: Coxall, Robert A.; Lindoy, Leonard F.; Miller, Hamish A.; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; White, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 55
• a: 15.934 ± 0.008 Å
• b: 17.26 ± 0.007 Å
• c: 12.692 ± 0.009 Å
• α: 90°
• β: 100.63 ± 0.04°
• γ: 90°
• Cell volume: 3431 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No