Information card for entry 1548707

Structure parameters

• Formula: C52 H56 F24 Fe2 N20 O2 P4
• Calculated formula: C52 H56 F24 Fe2 N20 O2 P4
• Title of publication: Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.
• Authors of publication: Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1857 - 1867
• a: 11.6283 ± 0.0004 Å
• b: 22.8419 ± 0.0009 Å
• c: 12.995 ± 0.0005 Å
• α: 90°
• β: 104.92 ± 0.002°
• γ: 90°
• Cell volume: 3335.3 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No