Information card for entry 7131836

Structure parameters

• Formula: C68 H64 B4 Cl8 Fe4 N4
• Calculated formula: C68 H64 B4 Cl8 Fe4 N4
• Title of publication: Linear and macrocyclic oligo(<i>p</i>-phenylene iminoboranes) with ferrocenyl side groups - observation of selective, non-templated macrocyclization.
• Authors of publication: Schneider, Johannes S.; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 54
• Pages of publication: 8408 - 8411
• a: 22.807 ± 0.005 Å
• b: 20.081 ± 0.006 Å
• c: 15.326 ± 0.004 Å
• α: 90°
• β: 114.023 ± 0.01°
• γ: 90°
• Cell volume: 6411 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No