Information card for entry 4067343

Structure parameters

• Formula: C36 H60 Li6
• Calculated formula: C36 H60 Li6
• SMILES: [C]123(C(=C([C]45(CC)[Li]1[C]16(C(=C([C]7(CC)([Li]8[C]9(C(=C([C]8(CC)([Li]29)[Li]35)CC)CC)(CC)[Li]67)[Li]41)CC)CC)CC)CC)CC)CC
• Title of publication: Isolation and X-ray Structure of a Trimeric 1,4-Dilithio-1,3-butadiene and a Dimeric Me3Si-Substituted 1,4-Dilithio-1,3-butadiene
• Authors of publication: Liu, Lantao; Zhang, Wen-Xiong; Luo, Qian; Li, Heng; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 278
• a: 13.029 ± 0.003 Å
• b: 16.83 ± 0.003 Å
• c: 17.572 ± 0.004 Å
• α: 81.1 ± 0.03°
• β: 80.64 ± 0.03°
• γ: 72.05 ± 0.03°
• Cell volume: 3594.3 ± 1.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2197
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No