Information card for entry 7116758

Structure parameters

• Formula: C34 H36 B2 F15 Li O6
• Calculated formula: C34 H36 B2 F15 Li O6
• SMILES: [Li]12([O](CC[O]1C)C)([O](CC[O]2C)C)[O]1B(OC(C1(C)C)(C)C)CC[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Application of a nucleophilic boryl complex in the frustrated Lewis pair: activation of H-H, B-H and C[double bond, length as m-dash]C bonds with B(C6F5)3 and boryl-borate lithium
• Authors of publication: Junhao Zheng; Yuwen Wang; Zhen Hua Li; Huadong Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5505
• a: 12.4374 ± 0.0013 Å
• b: 19.273 ± 0.0019 Å
• c: 15.5445 ± 0.0015 Å
• α: 90°
• β: 93.373 ± 0.002°
• γ: 90°
• Cell volume: 3719.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No