Information card for entry 7037068

Structure parameters

• Formula: C43 H21 B2 F20 Li
• Calculated formula: C43 H21 B2 F20 Li
• SMILES: [Li]12345([C]6(=[CH]1C1([B]7([B]1([H]7)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c([F]5)c(F)c(F)c(F)c1F)c1c([F]2)c(F)c(F)c(F)c1F)[c]13cccc[c]461)C(C)C).c1ccccc1C
• Title of publication: Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.
• Authors of publication: Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 21032 - 21040
• a: 10.4396 ± 0.0004 Å
• b: 10.5005 ± 0.0004 Å
• c: 19.6063 ± 0.0007 Å
• α: 91.665 ± 0.002°
• β: 101.678 ± 0.002°
• γ: 111.232 ± 0.002°
• Cell volume: 1949.53 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No