Information card for entry 2211824

Structure parameters

• Chemical name: Bis(12-crown-4)lithium(I) bis[(N,N-diisopropylamino)borohydride(1-)]lithium(I)
• Formula: C28 H66 B2 Li2 N2 O8
• Calculated formula: C28 H66 B2 Li2 N2 O8
• SMILES: [Li]([N]([BH3])(C(C)C)C(C)C)[N]([BH3])(C(C)C)C(C)C.[Li]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1
• Title of publication: Bis(12-crown-4)lithium(I) bis[(<i>N</i>,<i>N</i>-diisopropylamino)borohydride(1‒)]lithium(I)
• Authors of publication: Dornhaus, Franz; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m41 - m42
• a: 10.2918 ± 0.0012 Å
• b: 14.5424 ± 0.0014 Å
• c: 14.8057 ± 0.0013 Å
• α: 116.79 ± 0.007°
• β: 105.314 ± 0.008°
• γ: 94.85 ± 0.009°
• Cell volume: 1853.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1968
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes