Information card for entry 7222383

Structure parameters

• Formula: C32 H41 F12 Fe N9 P2
• Calculated formula: C32 H41 F12 Fe N9 P2
• Title of publication: Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex
• Authors of publication: Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.0501 ± 0.0004 Å
• b: 17.221 ± 0.0005 Å
• c: 20.7696 ± 0.0006 Å
• α: 69.987 ± 0.002°
• β: 86.127 ± 0.002°
• γ: 85.44 ± 0.002°
• Cell volume: 4033.2 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0931
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No