Information card for entry 7224918

Structure parameters

• Formula: C38 H50 N6 Si2 Zr
• Calculated formula: C38 H50 N6 Si2 Zr
• SMILES: [Zr]1234(N(c5ccccc5)CCC[N]1=C(N2[Si](C)(C)C)c1ccccc1)N(c1ccccc1)CCC[N]3=C(N4[Si](C)(C)C)c1ccccc1
• Title of publication: Group IV Compounds Bearing a Novel Tridentate N-donor Ligand: Synthesis, Structures and Ethylene Polymerization
• Authors of publication: Li, Wei; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Bai, Shengdi; Liu, Diansheng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.5821 ± 0.0004 Å
• b: 17.9611 ± 0.0008 Å
• c: 20.3816 ± 0.0009 Å
• α: 90°
• β: 95.55 ± 0.001°
• γ: 90°
• Cell volume: 3855.7 ± 0.3 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No