Information card for entry 7716156

Structure parameters

• Formula: C34 H62 Li2 N2 O2 Si2
• Calculated formula: C34 H62 Li2 N2 O2 Si2
• SMILES: [Si]1(C)(C)[N]2(C34CC5CC(C3)CC(C4)C5)[Li]([O]3CCCC3)[N](C34CC5CC(C3)CC(C4)C5)([Li]2[O]2CCCC2)[Si](CC1)(C)(C)
• Title of publication: A chelated borinium cation.
• Authors of publication: Major, Christopher; Lough, Alan; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10075 - 10078
• a: 10.0083 ± 0.0008 Å
• b: 16.6841 ± 0.0014 Å
• c: 21.0106 ± 0.0018 Å
• α: 91.04 ± 0.005°
• β: 90.08 ± 0.006°
• γ: 93.099 ± 0.005°
• Cell volume: 3502.6 ± 0.5 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 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: 0.123
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No