Information card for entry 7010658

Structure parameters

• Formula: C63 H75 Co N12 O6
• Calculated formula: C63 H75 Co N12 O6
• SMILES: [Co]123([N](=Nc4c(nn(c5ccccc5)c4O1)C)c1ccc(cc1)C(C)(C)C)([N](=Nc1c(nn(c4ccccc4)c1O2)C)c1ccc(cc1)C(C)(C)C)[N](=Nc1c(nn(c2ccccc2)c1O3)C)c1ccc(cc1)C(C)(C)C.OC.OC.OC
• 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: 12.965 ± 0.006 Å
• b: 15.604 ± 0.006 Å
• c: 15.584 ± 0.006 Å
• α: 75.83 ± 0.03°
• β: 85.67 ± 0.03°
• γ: 86.5 ± 0.04°
• Cell volume: 3045 ± 2 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: 0.1758
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No