Information card for entry 4087925

Structure parameters

• Formula: C29 H39 F18 Fe N14 P3
• Calculated formula: C29 H39 F18 Fe N14 P3
• Title of publication: NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes
• Authors of publication: Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5155
• a: 10.9373 ± 0.0003 Å
• b: 16.5377 ± 0.0004 Å
• c: 48.5989 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8790.5 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No