Information card for entry 4080747

Structure parameters

• Formula: C61.25 H79.75 B2 Cl3.75 Fe K N O6.25
• Calculated formula: C61.25 H79.75 B2 Cl3.75 Fe K N O6.25
• 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: 21.6605 ± 0.0002 Å
• b: 13.7952 ± 0.0001 Å
• c: 22.3255 ± 0.0001 Å
• α: 90°
• β: 109.212 ± 0.001°
• γ: 90°
• Cell volume: 6299.57 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1375
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No