Information card for entry 7018058

Structure parameters

• Formula: C28 H44 B2 Cl2 Li2 N4 O4
• Calculated formula: C28 H44 B2 Cl2 Li2 N4 O4
• SMILES: B12Nc3c(cccc3)NB1Nc1c(N2)cccc1.[Li]1([O]2CCCC2)([O]2CCCC2)[Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1
• 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: 8.6702 ± 0.0003 Å
• b: 9.7473 ± 0.0003 Å
• c: 10.6975 ± 0.0003 Å
• α: 108.594 ± 0.002°
• β: 105.241 ± 0.002°
• γ: 102.205 ± 0.002°
• Cell volume: 782.46 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No