Information card for entry 4078891

Structure parameters

• Formula: C24 H36 Zn3
• Calculated formula: C24 H36 Zn3
• SMILES: [Zn]1C(C)=C(C)C(C)=C(C)[Zn]C(=C(C(=C([Zn]C(=C(C(=C1C)C)C)C)C)C)C)C
• Title of publication: 1,3-Butadienylzinc Trimer Formed via Transmetalation from 1,4-Dilithio-1,3-butadienes: Synthesis, Structural Characterization, and Application in Negishi Cross-Coupling
• Authors of publication: Zhou, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5546
• a: 9.7112 ± 0.0016 Å
• b: 9.9467 ± 0.0014 Å
• c: 13.852 ± 0.002 Å
• α: 70.142 ± 0.008°
• β: 77.515 ± 0.009°
• γ: 75.018 ± 0.008°
• Cell volume: 1203.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No