Information card for entry 4112280

Structure parameters

• Formula: C74 H69 B Cu2 F24 N2 O0.5 S4
• Calculated formula: C74 H69 B Cu2 F24 N2 O0.5 S4
• Title of publication: Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species
• Authors of publication: Seth B. Harkins; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2885 - 2893
• a: 10.3179 ± 0.0008 Å
• b: 19.3779 ± 0.0014 Å
• c: 19.9116 ± 0.0015 Å
• α: 74.234 ± 0.001°
• β: 83.222 ± 0.001°
• γ: 85.603 ± 0.001°
• Cell volume: 3800.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No