Information card for entry 7010911

Structure parameters

• Formula: C25 H40.5 Cu F3 Fe N3 O4.25 S
• Calculated formula: C24.75 H39.5 Cu F3 Fe N3 O4.25 S
• Title of publication: Copper complexes with ferrocenyl pendants: Evidence for an FeII CuII FeIII CuI electron transfer equilibrium leading to a reaction with dioxygen
• Authors of publication: Andrew J. Evans; Scott E. Watkins; Donald C. Craig; Stephen B. Colbran
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 983 - 994
• a: 31.627 ± 0.024 Å
• b: 10.993 ± 0.008 Å
• c: 20.899 ± 0.013 Å
• α: 90°
• β: 123.94 ± 0.04°
• γ: 90°
• Cell volume: 6028 ± 8 ų
• Cell temperature: 294 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No