Information card for entry 1542404

Structure parameters

• Formula: C12 H18 Cu N O6
• Calculated formula: C12 H18 Cu N O6
• Title of publication: New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes
• Authors of publication: Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 4584
• a: 7.5973 ± 0.0006 Å
• b: 8.106 ± 0.0006 Å
• c: 12.4901 ± 0.0012 Å
• α: 89.576 ± 0.003°
• β: 86.095 ± 0.002°
• γ: 69.787 ± 0.002°
• Cell volume: 720.03 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No