Information card for entry 4081654

Structure parameters

• Formula: C40 H32 Fe2 N2
• Calculated formula: C40 H32 Fe2 N2
• Title of publication: Molecular Wires using (Oligo)pyrroles as Connecting Units: An Electron Transfer Study
• Authors of publication: Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Low, Paul J.; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 6106
• a: 12.855 ± 0.0005 Å
• b: 16.1262 ± 0.0004 Å
• c: 16.9337 ± 0.0006 Å
• α: 112.931 ± 0.003°
• β: 105.841 ± 0.003°
• γ: 97.547 ± 0.003°
• Cell volume: 2996.2 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No