Information card for entry 7041501

Structure parameters

• Formula: C24 H22 Cl2 Cu N6 O10
• Calculated formula: C24 H22 Cl2 Cu N6 O10
• Title of publication: Copper-promoted methylene C-H oxidation to a ketone derivative by O2.
• Authors of publication: Deville, Claire; McKee, Vickie; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 709 - 719
• a: 6.9995 ± 0.0009 Å
• b: 13.0502 ± 0.0015 Å
• c: 15.8518 ± 0.0019 Å
• α: 69.489 ± 0.007°
• β: 77.659 ± 0.008°
• γ: 82.462 ± 0.007°
• Cell volume: 1322.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No