Information card for entry 1557327

Structure parameters

• Formula: C16 H16 Cu N2 O6
• Calculated formula: C16 H16 Cu N2 O6
• SMILES: O[N]1=Cc2c(c(ccc2)OC)O[Cu]21Oc1c(cccc1OC)C=[N]2O
• Title of publication: A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper
• Authors of publication: Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N.
• Journal of publication: Journal of Chemical Education
• Year of publication: 2020
• a: 8.4484 ± 0.0007 Å
• b: 4.8581 ± 0.0004 Å
• c: 18.7404 ± 0.0015 Å
• α: 90°
• β: 94.79 ± 0.008°
• γ: 90°
• Cell volume: 766.48 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0438
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No