Information card for entry 4338675

Structure parameters

• Formula: C38 H64 Li2 N2 O2 Si3
• Calculated formula: C38 H64 Li2 N2 O2 Si3
• SMILES: [Si]12([C]3([Si](C)(C)C)[Li]45([O]6CCCC6)[C]61([Si](C)(C)C)[Li]([N]2(CC)CC)([O]1CCCC1)[C]5=6([C]4=3c1ccccc1)c1ccccc1)N(CC)CC
• Title of publication: Isolable 1,1-disubstituted silole dianion: a homogeneous two-electron-transfer reducing reagent.
• Authors of publication: Han, Zhengang; Li, Jianfeng; Hu, Hongfan; Zhang, Jianying; Cui, Chunming
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5890 - 5892
• a: 20.718 ± 0.003 Å
• b: 21.05 ± 0.003 Å
• c: 22.539 ± 0.004 Å
• α: 82.093 ± 0.012°
• β: 70.7 ± 0.009°
• γ: 63.88 ± 0.009°
• Cell volume: 8329 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1194
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No