Information card for entry 7223428

Structure parameters

• Formula: C20 H29 Cl2 N3 Ti
• Calculated formula: C20 H29 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C(Nc5c(cccc5C(C)C)C(C)C)N(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Organoamido zirconium(IV) and titanium(IV) complexes and their catalysis towards ethylene polymerization
• Authors of publication: Zhou, Meisu; Yang, Qiaokun; Tong, Hongbo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.966 ± 0.009 Å
• b: 14.723 ± 0.017 Å
• c: 16.566 ± 0.017 Å
• α: 90°
• β: 100.41 ± 0.07°
• γ: 90°
• Cell volume: 2151 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No