Information card for entry 4077237

Structure parameters

• Common name: Li2boratafluorene.2Et2O
• Formula: C60 H77 B Li2 O2
• Calculated formula: C60 H77 B Li2 O2
• Title of publication: Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt
• Authors of publication: Wehmschulte, Rudolf J.; Khan, Masood A.; Twamley, Brendan; Schiemenz, Berthold
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 844
• a: 13.4883 ± 0.0003 Å
• b: 35.4783 ± 0.0005 Å
• c: 12.2052 ± 0.0002 Å
• α: 90°
• β: 114.367 ± 0.001°
• γ: 90°
• Cell volume: 5320.42 ± 0.17 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.1214
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No