Information card for entry 4061986

Structure parameters

• Formula: C33 H45 Cl O2 Ti
• Calculated formula: C33 H45 Cl O2 Ti
• SMILES: [Ti]12345(Cl)(Oc6c(cc(cc6C(C)(C)C)C)Cc6c(O1)c(cc(c6)C)C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Mono-cyclopentadienyl and ansa-monocyclopentadienyl-alkoxo complexes of titanium containing the 2,2'-CH2-bis(4-methyl-6-tert-butyl-phenoxo) ligand (MBMP). Synthesis, characterization and polymerization catalyst behavior. Molecular structure of Ti(h5-C5H5)(h2-MBMP)Cl, Ti(h5-C5Me5)(h2-MBMP)Cl and Ti(h5-C5H4SiMe2-h1-MBMP)Cl2.
• Authors of publication: González-Maupoey, M.; Cuenca, T.; Frutos, L. M.; Castano, O.; Herdtweck, E.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 9.8601 ± 0.0001 Å
• b: 14.2854 ± 0.0001 Å
• c: 11.1054 ± 0.0001 Å
• α: 90°
• β: 102.269 ± 0.0005°
• γ: 90°
• Cell volume: 1528.53 ± 0.02 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No