Information card for entry 7010910

Structure parameters

• Formula: C26 H27 Cu F6 Fe N3 O7 S2
• Calculated formula: C26 H23 Cu F6 Fe N3 O7 S2
• 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: 17.599 ± 0.014 Å
• b: 10.318 ± 0.003 Å
• c: 16.979 ± 0.012 Å
• α: 90°
• β: 96.57 ± 0.04°
• γ: 90°
• Cell volume: 3063 ± 3 ų
• Cell temperature: 294 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No