Information card for entry 4066583

Structure parameters

• Formula: C60 H79.06 B2 F Fe K O6.5
• Calculated formula: C60 H79.058 B2 F Fe K O6.5
• Title of publication: Anion Recognition by Highly Sterically Encumbered 1,2-Diborylferrocenes§
• Authors of publication: Morgan, Ian R.; Broomsgrove, Alexander E. J.; Fitzpatrick, Philip; Vidovic, Dragoslav; Thompson, Amber L.; Fallis, Ian A.; Aldridge, Simon
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4762
• a: 10.2123 ± 0.0001 Å
• b: 12.6792 ± 0.0002 Å
• c: 26.4929 ± 0.0005 Å
• α: 81.5062 ± 0.0007°
• β: 83.0003 ± 0.0007°
• γ: 74.5913 ± 0.0007°
• Cell volume: 3258.52 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections: 0.2486
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0357
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No