Information card for entry 1551831

Structure parameters

• Formula: C74 H64 Fe6
• Calculated formula: C74 H64 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: 7.4131 ± 0.0006 Å
• b: 13.207 ± 0.0009 Å
• c: 14.5753 ± 0.001 Å
• α: 94.319 ± 0.006°
• β: 99.791 ± 0.006°
• γ: 98.987 ± 0.006°
• Cell volume: 1381.32 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No