Information card for entry 4325062

Structure parameters

• Formula: C22 H28 Cu N2 O4
• Calculated formula: C22 H28 Cu N2 O4
• SMILES: c12cc(C(C)(C)C)ccc2O[Cu]2([N](=C1)O)Oc1c(cc(cc1)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: 10.3884 ± 0.0005 Å
• b: 10.3905 ± 0.0005 Å
• c: 18.9956 ± 0.0009 Å
• α: 77.787 ± 0.003°
• β: 83.298 ± 0.003°
• γ: 60.492 ± 0.002°
• Cell volume: 1743.86 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No