Information card for entry 1551830

Structure parameters

• Formula: C72 H60 Fe6
• Calculated formula: C72 H60 Fe6
• Title of publication: Oligomeric ferrocene rings
• Authors of publication: Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 825 - 830
• a: 27.934 ± 0.0009 Å
• b: 7.5162 ± 0.0003 Å
• c: 26.0371 ± 0.0007 Å
• α: 90°
• β: 95.548 ± 0.003°
• γ: 90°
• Cell volume: 5441.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No