Information card for entry 7103403

Structure parameters

• Formula: C38 H38 Cu2 N2 O8
• Calculated formula: C38 H38 Cu2 N2 O8
• SMILES: c12c(cc(cc1)C(C)(C)C)[N]1=Cc3c(O[Cu]41[O]2[Cu]12Oc5c(C=[N]1c1c(ccc(c1)C(C)(C)C)[O]42)cc(cc5C(=O)O)C)c(C(=O)O)cc(c3)C
• Title of publication: Polyacidic multiloading metal extractants.
• Authors of publication: Gordon, Ross J; Campbell, John; Henderson, David K; Henry, Dorothy C R; Swart, Ronald M; Tasker, Peter A; White, Fraser J; Wood, Jenny L; Yellowlees, Lesley J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4801 - 4803
• a: 6.8829 ± 0.0007 Å
• b: 9.6493 ± 0.001 Å
• c: 12.3771 ± 0.0012 Å
• α: 88.498 ± 0.006°
• β: 83.85 ± 0.006°
• γ: 83.339 ± 0.006°
• Cell volume: 811.7 ± 0.14 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: 0.1039
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No