Information card for entry 4080751

Structure parameters

• Formula: C47 H72.09 B Fe N2 O Si
• Calculated formula: C47 H72.087 B Fe N2 O Si
• Title of publication: Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems
• Authors of publication: Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2674
• a: 12.81313 ± 0.00012 Å
• b: 17.36807 ± 0.00016 Å
• c: 20.2116 ± 0.0002 Å
• α: 90°
• β: 90.3773 ± 0.001°
• γ: 90°
• Cell volume: 4497.78 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections: 0.1317
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8767
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No