Information card for entry 7224917

Structure parameters

• Formula: C38 H50 N6 Si2 Ti
• Calculated formula: C38 H50 N6 Si2 Ti
• SMILES: [Ti]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: 9.8027 ± 0.0004 Å
• b: 12.2995 ± 0.0004 Å
• c: 17.4058 ± 0.0006 Å
• α: 99.92 ± 0.001°
• β: 94.72 ± 0.001°
• γ: 109.633 ± 0.001°
• Cell volume: 1924.68 ± 0.12 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No