Information card for entry 4061336

Structure parameters

• Formula: C21 H20 Cl2 O Ti
• Calculated formula: C21 H20 Cl2 O Ti
• SMILES: [Ti]12345(Cl)(Cl)Oc6c([c]71[c]2([c]3([c]4([c]57C)C)C)C)cccc6c1ccccc1
• Title of publication: Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization
• Authors of publication: Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 19.691 ± 0.002 Å
• b: 11.4221 ± 0.0013 Å
• c: 8.9263 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No