Information card for entry 7041063

Structure parameters

• Common name: L3-Cu[ClO4]2
• Chemical name: ligand [(1-methyl-4,5-dihydro-1H-imidazol-2-yl)methyl](2-ethyl)amine]Cu[ClO4]2
• Formula: C12 H20 Cl2 Cu N6 O8
• Calculated formula: C12 H20 Cl2 Cu N6 O8
• Title of publication: Copper catalysed aerobic oxidation of benzylic alcohols in an imidazole containing N4 ligand framework.
• Authors of publication: Jain, Rahul; Gibson, Tony J.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18356 - 18364
• a: 17.244 ± 0.002 Å
• b: 8.1023 ± 0.001 Å
• c: 13.7251 ± 0.0015 Å
• α: 90°
• β: 96.258 ± 0.012°
• γ: 90°
• Cell volume: 1906.2 ± 0.4 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100.05 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No