Information card for entry 4326926

Structure parameters

• Formula: C15 H18 B11 Cl11 Zn
• Calculated formula: C15 H18 B11 Cl11 Zn
• SMILES: [Zn]12([Cl][B]3456[B]789([Cl]1)[B]1%10%11(Cl)[B]%12%137(Cl)[B]748(Cl)[B]485(Cl)[B]5%143(Cl)[B]31(Cl)([B]145(Cl)[B]%1278(Cl)[CH]%11%1331)[B]69%10%14Cl)([cH]1cccc[cH]21)CC.c1ccccc1
• Title of publication: Cationic Ethylzinc Compound: A Benzene Complex with Catalytic Activity in Hydroamination and Hydrosilylation Reactions
• Authors of publication: Rudolf J. Wehmschulte; Lukasz Wojtas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11300 - 11302
• a: 15.2721 ± 0.0011 Å
• b: 15.4506 ± 0.0012 Å
• c: 14.4011 ± 0.0011 Å
• α: 90°
• β: 114.629 ± 0.005°
• γ: 90°
• Cell volume: 3089 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No