Information card for entry 7225506

Structure parameters

• Formula: C17 H29 Cl4 N3 Si2 Zr
• Calculated formula: C17 H29 Cl4 N3 Si2 Zr
• SMILES: [Zr]1(Cl)(Cl)(Cl)(Cl)[n]2c(cccc2)C2=[N]1[Si](N([Si](C)(C)C)C(=C2)C(C)(C)C)(C)C
• Title of publication: Synthesis, mechanism and ethylene polymerization catalysis of Ge(IV), Sn(II) and Zr(IV) complexes derived from substituted β-diketiminates
• Authors of publication: Xiao, Xia; Hao, Xiaomin; Bai, Jianliang; Chao, Jianbin; Cao, Wei; Chen, Xia
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.139 ± 0.002 Å
• b: 12.05 ± 0.002 Å
• c: 12.659 ± 0.003 Å
• α: 118.34 ± 0.03°
• β: 110.25 ± 0.03°
• γ: 91.62 ± 0.03°
• Cell volume: 1241.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No