Information card for entry 4307530

Structure parameters

• Formula: C41 H35.75 B3 Cl0.5 F6 Fe3 N4.75 O6.5
• Calculated formula: C41 H35.74 B3 Cl0.52 F6 Fe3 N4.74 O6.48
• Title of publication: Triferrocenes Built on a C3-Symmetric Ligand Platform: Entry to Redox-Activepseudo-Triphenylenes via Chelation-Driven Stereoselection of Triple Schiff Bases
• Authors of publication: Young-Kwan Lim; Scott Wallace; John C. Bollinger; Xufang Chen; Dongwhan Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1694 - 1703
• a: 10.447 ± 0.003 Å
• b: 10.885 ± 0.002 Å
• c: 18.647 ± 0.004 Å
• α: 93.915 ± 0.013°
• β: 99.125 ± 0.011°
• γ: 106.223 ± 0.016°
• Cell volume: 1996 ± 0.8 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No