Information card for entry 4325067

Structure parameters

• Formula: C24 H32 Cu N2 O6
• Calculated formula: C24 H32 Cu N2 O6
• SMILES: [Cu]12([N](O)=Cc3c(O1)c(cc(c3)C(C)(C)C)OC)Oc1c(cc(cc1OC)C(C)(C)C)C=[N]2O
• Title of publication: Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants
• Authors of publication: Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4515 - 4522
• a: 17.7657 ± 0.0009 Å
• b: 20.8218 ± 0.0011 Å
• c: 6.5914 ± 0.0004 Å
• α: 90°
• β: 96.641 ± 0.003°
• γ: 90°
• Cell volume: 2421.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No