Information card for entry 4070904

Structure parameters

• Formula: C22 H28 N4 Si Zn
• Calculated formula: C22 H28 N4 Si Zn
• SMILES: [Zn]12([n]3c(n4[n]2c(cc4C)C)cccc3C=C(N1[Si](C)(C)C)c1ccccc1)C
• Title of publication: Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands
• Authors of publication: Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1626
• a: 8.0286 ± 0.0016 Å
• b: 11.2735 ± 0.0018 Å
• c: 12.947 ± 0.002 Å
• α: 79.004 ± 0.002°
• β: 80.062 ± 0.002°
• γ: 83.476 ± 0.002°
• Cell volume: 1129.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No