Information card for entry 1546557

Structure parameters

• Formula: C43 H64 Cl4 N4 O3 Si Zn2
• Calculated formula: C43 H64 Cl4 N4 O3 Si Zn2
• SMILES: [Zn](Cl)(Cl)([Si]1([Zn](Cl)Cl)=C2N(C=CN2CN2C=1N(C=C2)c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: A New Area in Main-Group Chemistry: Zerovalent Monoatomic Silicon Compounds and Their Analogues
• Authors of publication: Yao, Shenglai; Xiong, Yun; Driess, Matthias
• Journal of publication: Accounts of Chemical Research
• Year of publication: 2017
• a: 12.7971 ± 0.0006 Å
• b: 12.8687 ± 0.0004 Å
• c: 15.4609 ± 0.0007 Å
• α: 99.546 ± 0.003°
• β: 92.234 ± 0.004°
• γ: 106.915 ± 0.004°
• Cell volume: 2391.96 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No