Information card for entry 7018062

Structure parameters

• Formula: C40 H84 B2 Li4 N12 O2
• Calculated formula: C40 H84 B2 Li4 N12 O2
• SMILES: B1(Nc2c([N]31[Li]1([N](C)(C)CC[N]1(C)C)[O]([Li]13[N](CC[N]1(C)C)(C)C)CC)cccc2)B1[N]2(c3ccccc3N1)[Li]1([N](CC[N]1(C)C)(C)C)[O]([Li]12[N](CC[N]1(C)C)(C)C)CC
• Title of publication: Diborane(4) compounds with bidentate diamino groups.
• Authors of publication: Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2140 - 2147
• a: 21.3933 ± 0.0005 Å
• b: 14.6257 ± 0.0004 Å
• c: 16.3348 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5111 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No