Information card for entry 7708180

Structure parameters

• Formula: C38 H66 B4 Li2 N6 O6
• Calculated formula: C38 H66 B4 Li2 N6 O6
• SMILES: c12ccccc1NB1[B]34[N]56c7ccccc7NB6[B]6(N21)[O](C(C(C)(C)O6)(C)C)[Li]([O]3C(C(C)(C)[O]4[Li]15[N](CC[N]1(C)C)(C)C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp²)₂B(sp³)₂N₂ six membered rings.
• Authors of publication: Drescher, Wiebke; Kleeberg, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 13149 - 13157
• a: 12.5438 ± 0.0004 Å
• b: 19.8952 ± 0.0006 Å
• c: 17.7349 ± 0.0006 Å
• α: 90°
• β: 106.128 ± 0.003°
• γ: 90°
• Cell volume: 4251.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No