Information card for entry 7128462

Structure parameters

• Formula: C98 H88 Fe3 O5
• Calculated formula: C98 H88 Fe3 O5
• Title of publication: Fusing pyrene and ferrocene into a chiral, redox-active triangle.
• Authors of publication: Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 54
• Pages of publication: 6660 - 6663
• a: 11.424 ± 0.0003 Å
• b: 17.7656 ± 0.0004 Å
• c: 18.4462 ± 0.0003 Å
• α: 78.866 ± 0.002°
• β: 79.702 ± 0.002°
• γ: 87.174 ± 0.002°
• Cell volume: 3613.67 ± 0.14 ų
• Cell temperature: 100.3 ± 0.3 K
• Ambient diffraction temperature: 100.3 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No