Information card for entry 7222385

Structure parameters

• Formula: C38 H47 F12 Fe N9 P2
• Calculated formula: C38 H47 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: 19.9697 ± 0.0007 Å
• b: 11.5746 ± 0.0003 Å
• c: 18.9375 ± 0.0007 Å
• α: 90°
• β: 100.129 ± 0.002°
• γ: 90°
• Cell volume: 4309 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No