Information card for entry 7224919

Structure parameters

• Formula: C38 H52 Hf N6 Si2
• Calculated formula: C38 H52 Hf N6 Si2
• SMILES: [Hf]1234([NH](c5ccccc5)CCC[N]1=C(N2[Si](C)(C)C)c1ccccc1)[NH](CCC[N]3=C(N4[Si](C)(C)C)c1ccccc1)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: 10.5582 ± 0.0005 Å
• b: 17.9443 ± 0.0008 Å
• c: 20.4584 ± 0.0009 Å
• α: 90°
• β: 95.151 ± 0.001°
• γ: 90°
• Cell volume: 3860.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No