Information card for entry 7010908

Structure parameters

• Formula: C25 H28 Br2 Cu Fe N3 O0.5
• Calculated formula: C25 H28 Br2 Cu Fe N3 O0.5
• 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: 13.336 ± 0.011 Å
• b: 11.555 ± 0.003 Å
• c: 16.99 ± 0.014 Å
• α: 90°
• β: 96.2 ± 0.04°
• γ: 90°
• Cell volume: 2603 ± 3 ų
• Cell temperature: 294 K
• Number of distinct elements: 7
• 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: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No