Information card for entry 4315811

Structure parameters

• Formula: C35 H46 Fe N4 O3 P
• Calculated formula: C35 H46 Fe N4 O3 P
• Title of publication: Influence of the Redox Active Ligand on the Reactivity and Electronic Structure of a Series of Fe(TIM) Complexes
• Authors of publication: Corinna R. Hess; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5686 - 5700
• a: 8.795 ± 0.002 Å
• b: 9.128 ± 0.002 Å
• c: 20.81 ± 0.004 Å
• α: 89.791 ± 0.004°
• β: 89.028 ± 0.004°
• γ: 78.168 ± 0.004°
• Cell volume: 1634.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No