Information card for entry 7124248

Structure parameters

• Formula: C32 H40 Cl2 Cu2 N6 O16
• Calculated formula: C32 H39.9972 Cl2 Cu2 N6 O15.9986
• Title of publication: High-valent CuIICuIII Species in Action: Demonstration of Aliphatic C—H Bond Activation at Room Temperature
• Authors of publication: Belle, Catherine; Isaac, James Alfred; Thibon-Pourret, Aurore; Durand, Amélie; Philouze, Christian; Le Poul, Nicolas
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 26.151 ± 0.005 Å
• b: 10.682 ± 0.002 Å
• c: 14.443 ± 0.003 Å
• α: 90°
• β: 107.88 ± 0.03°
• γ: 90°
• Cell volume: 3839.7 ± 1.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No