Information card for entry 7010656

Structure parameters

• Formula: C40 H42 N8 O2 Zn
• Calculated formula: C40 H42 N8 O2 Zn
• SMILES: [Zn]12([N](=Nc3c(nn(c4ccccc4)c3O1)C)c1ccc(C(C)(C)C)cc1)[N](=Nc1c(nn(c3ccccc3)c1O2)C)c1ccc(C(C)(C)C)cc1
• 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: 12.28 ± 0.005 Å
• b: 13.615 ± 0.005 Å
• c: 14.172 ± 0.005 Å
• α: 113.737 ± 0.016°
• β: 95.127 ± 0.016°
• γ: 113.635 ± 0.014°
• Cell volume: 1896.2 ± 1.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No