Information card for entry 7010654

Structure parameters

• Formula: C40 H42 Cu N8 O2
• Calculated formula: C40 H42 Cu N8 O2
• SMILES: [Cu]12([N](=Nc3c(nn(c3O2)c2ccccc2)C)c2ccc(cc2)C(C)(C)C)[N](=Nc2c(nn(c3ccccc3)c2O1)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Diazopyrazolones as weak solvent extractants for copper from ammonia leach solutions †
• Authors of publication: Emeleus, Lucy C.; Cupertino, Domenico C.; Harris, Steven G.; Owens, Susan; Parsons, Simon; Swart, Ronald M.; Tasker, Peter A.; White, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1239
• a: 11.603 ± 0.003 Å
• b: 23.586 ± 0.004 Å
• c: 13.649 ± 0.002 Å
• α: 90°
• β: 97.24 ± 0.02°
• γ: 90°
• Cell volume: 3705.5 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No