Information card for entry 7708185

Structure parameters

• Formula: C44 H74 B4 Li2 N4 O9
• Calculated formula: C44 H74 B4 Li2 N4 O9
• SMILES: c12ccccc1NB1[B]34N5c6ccccc6NB5[B]5(N21)[O](C(C(C)(C)[O]5[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(C)C)[Li]([O]4C(C(C)(C)O3)(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: 11.5646 ± 0.0005 Å
• b: 23.7208 ± 0.001 Å
• c: 18.0699 ± 0.001 Å
• α: 90°
• β: 99.697 ± 0.004°
• γ: 90°
• Cell volume: 4886.1 ± 0.4 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: 0.0606
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No